SimRNA (c) 2009-2024 Genesilico, ver. 3.33 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) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq4m7-3d1e8d59/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq4m7-3d1e8d59/inputs/seq.fa: 1 curr_seq: _GGUUCGUUGCUACACUGUUAAUCUGGGUGACCUAUGCGAUUGGUCGCUGCUCGGGCUAGGCGCAGUCGUCCUACCAACACUUGCACCGUAUGUGCCCGGGUAGCCGCUUGCGCAAACCUUCUAAGGGCAUCGUACUGGGAGAUGCGCUCCCACUUUCGGAACCUCGGUGGCUCGGUGUCCCGGGGUUGCUCGCCUGGUAGUUAGUGGGGUACAUGACAGCCUAUCCUGGGAAUGGACUCUCGCCUCACAGCCCGUCUGGCGCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGUUCGUUGCUACACUGUUAAUCUGGGUGACCUAUGCGAUUGGUCGCUGCUCGGGCUAGGCGCAGUCGUCCUACCAACACUUGCACCGUAUGUGCCCGGGUAGCCGCUUGCGCAAACCUUCUAAGGGCAUCGUACUGGGAGAUGCGCUCCCACUUUCGGAACCUCGGUGGCUCGGUGUCCCGGGGUUGCUCGCCUGGUAGUUAGUGGGGUACAUGACAGCCUAUCCUGGGAAUGGACUCUCGCCUCACAGCCCGUCUGGCGCGG 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 264 nucleotides 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 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1325 n_atoms_counter: 1325 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 264.000000 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) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq4m7-3d1e8d59/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq4m7-3d1e8d59/inputs/seq.fa: 1 curr_seq: _GGUUCGUUGCUACACUGUUAAUCUGGGUGACCUAUGCGAUUGGUCGCUGCUCGGGCUAGGCGCAGUCGUCCUACCAACACUUGCACCGUAUGUGCCCGGGUAGCCGCUUGCGCAAACCUUCUAAGGGCAUCGUACUGGGAGAUGCGCUCCCACUUUCGGAACCUCGGUGGCUCGGUGUCCCGGGGUUGCUCGCCUGGUAGUUAGUGGGGUACAUGACAGCCUAUCCUGGGAAUGGACUCUCGCCUCACAGCCCGUCUGGCGCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGUUCGUUGCUACACUGUUAAUCUGGGUGACCUAUGCGAUUGGUCGCUGCUCGGGCUAGGCGCAGUCGUCCUACCAACACUUGCACCGUAUGUGCCCGGGUAGCCGCUUGCGCAAACCUUCUAAGGGCAUCGUACUGGGAGAUGCGCUCCCACUUUCGGAACCUCGGUGGCUCGGUGUCCCGGGGUUGCUCGCCUGGUAGUUAGUGGGGUACAUGACAGCCUAUCCUGGGAAUGGACUCUCGCCUCACAGCCCGUCUGGCGCGG 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 264 nucleotides 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 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1325 n_atoms_counter: 1325 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 264.000000 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) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq4m7-3d1e8d59/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq4m7-3d1e8d59/inputs/seq.fa: 1 curr_seq: _GGUUCGUUGCUACACUGUUAAUCUGGGUGACCUAUGCGAUUGGUCGCUGCUCGGGCUAGGCGCAGUCGUCCUACCAACACUUGCACCGUAUGUGCCCGGGUAGCCGCUUGCGCAAACCUUCUAAGGGCAUCGUACUGGGAGAUGCGCUCCCACUUUCGGAACCUCGGUGGCUCGGUGUCCCGGGGUUGCUCGCCUGGUAGUUAGUGGGGUACAUGACAGCCUAUCCUGGGAAUGGACUCUCGCCUCACAGCCCGUCUGGCGCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGUUCGUUGCUACACUGUUAAUCUGGGUGACCUAUGCGAUUGGUCGCUGCUCGGGCUAGGCGCAGUCGUCCUACCAACACUUGCACCGUAUGUGCCCGGGUAGCCGCUUGCGCAAACCUUCUAAGGGCAUCGUACUGGGAGAUGCGCUCCCACUUUCGGAACCUCGGUGGCUCGGUGUCCCGGGGUUGCUCGCCUGGUAGUUAGUGGGGUACAUGACAGCCUAUCCUGGGAAUGGACUCUCGCCUCACAGCCCGUCUGGCGCGG 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 264 nucleotides 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 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1325 n_atoms_counter: 1325 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 264.000000 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) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq4m7-3d1e8d59/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq4m7-3d1e8d59/inputs/seq.fa: 1 curr_seq: _GGUUCGUUGCUACACUGUUAAUCUGGGUGACCUAUGCGAUUGGUCGCUGCUCGGGCUAGGCGCAGUCGUCCUACCAACACUUGCACCGUAUGUGCCCGGGUAGCCGCUUGCGCAAACCUUCUAAGGGCAUCGUACUGGGAGAUGCGCUCCCACUUUCGGAACCUCGGUGGCUCGGUGUCCCGGGGUUGCUCGCCUGGUAGUUAGUGGGGUACAUGACAGCCUAUCCUGGGAAUGGACUCUCGCCUCACAGCCCGUCUGGCGCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGUUCGUUGCUACACUGUUAAUCUGGGUGACCUAUGCGAUUGGUCGCUGCUCGGGCUAGGCGCAGUCGUCCUACCAACACUUGCACCGUAUGUGCCCGGGUAGCCGCUUGCGCAAACCUUCUAAGGGCAUCGUACUGGGAGAUGCGCUCCCACUUUCGGAACCUCGGUGGCUCGGUGUCCCGGGGUUGCUCGCCUGGUAGUUAGUGGGGUACAUGACAGCCUAUCCUGGGAAUGGACUCUCGCCUCACAGCCCGUCUGGCGCGG 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 264 nucleotides 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 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1325 n_atoms_counter: 1325 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 264.000000 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) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq4m7-3d1e8d59/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq4m7-3d1e8d59/inputs/seq.fa: 1 curr_seq: _GGUUCGUUGCUACACUGUUAAUCUGGGUGACCUAUGCGAUUGGUCGCUGCUCGGGCUAGGCGCAGUCGUCCUACCAACACUUGCACCGUAUGUGCCCGGGUAGCCGCUUGCGCAAACCUUCUAAGGGCAUCGUACUGGGAGAUGCGCUCCCACUUUCGGAACCUCGGUGGCUCGGUGUCCCGGGGUUGCUCGCCUGGUAGUUAGUGGGGUACAUGACAGCCUAUCCUGGGAAUGGACUCUCGCCUCACAGCCCGUCUGGCGCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGUUCGUUGCUACACUGUUAAUCUGGGUGACCUAUGCGAUUGGUCGCUGCUCGGGCUAGGCGCAGUCGUCCUACCAACACUUGCACCGUAUGUGCCCGGGUAGCCGCUUGCGCAAACCUUCUAAGGGCAUCGUACUGGGAGAUGCGCUCCCACUUUCGGAACCUCGGUGGCUCGGUGUCCCGGGGUUGCUCGCCUGGUAGUUAGUGGGGUACAUGACAGCCUAUCCUGGGAAUGGACUCUCGCCUCACAGCCCGUCUGGCGCGG 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 264 nucleotides 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 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1325 n_atoms_counter: 1325 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 264.000000 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) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq4m7-3d1e8d59/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq4m7-3d1e8d59/inputs/seq.fa: 1 curr_seq: _GGUUCGUUGCUACACUGUUAAUCUGGGUGACCUAUGCGAUUGGUCGCUGCUCGGGCUAGGCGCAGUCGUCCUACCAACACUUGCACCGUAUGUGCCCGGGUAGCCGCUUGCGCAAACCUUCUAAGGGCAUCGUACUGGGAGAUGCGCUCCCACUUUCGGAACCUCGGUGGCUCGGUGUCCCGGGGUUGCUCGCCUGGUAGUUAGUGGGGUACAUGACAGCCUAUCCUGGGAAUGGACUCUCGCCUCACAGCCCGUCUGGCGCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGUUCGUUGCUACACUGUUAAUCUGGGUGACCUAUGCGAUUGGUCGCUGCUCGGGCUAGGCGCAGUCGUCCUACCAACACUUGCACCGUAUGUGCCCGGGUAGCCGCUUGCGCAAACCUUCUAAGGGCAUCGUACUGGGAGAUGCGCUCCCACUUUCGGAACCUCGGUGGCUCGGUGUCCCGGGGUUGCUCGCCUGGUAGUUAGUGGGGUACAUGACAGCCUAUCCUGGGAAUGGACUCUCGCCUCACAGCCCGUCUGGCGCGG 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 264 nucleotides 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 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1325 n_atoms_counter: 1325 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 264.000000 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) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq4m7-3d1e8d59/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq4m7-3d1e8d59/inputs/seq.fa: 1 curr_seq: _GGUUCGUUGCUACACUGUUAAUCUGGGUGACCUAUGCGAUUGGUCGCUGCUCGGGCUAGGCGCAGUCGUCCUACCAACACUUGCACCGUAUGUGCCCGGGUAGCCGCUUGCGCAAACCUUCUAAGGGCAUCGUACUGGGAGAUGCGCUCCCACUUUCGGAACCUCGGUGGCUCGGUGUCCCGGGGUUGCUCGCCUGGUAGUUAGUGGGGUACAUGACAGCCUAUCCUGGGAAUGGACUCUCGCCUCACAGCCCGUCUGGCGCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGUUCGUUGCUACACUGUUAAUCUGGGUGACCUAUGCGAUUGGUCGCUGCUCGGGCUAGGCGCAGUCGUCCUACCAACACUUGCACCGUAUGUGCCCGGGUAGCCGCUUGCGCAAACCUUCUAAGGGCAUCGUACUGGGAGAUGCGCUCCCACUUUCGGAACCUCGGUGGCUCGGUGUCCCGGGGUUGCUCGCCUGGUAGUUAGUGGGGUACAUGACAGCCUAUCCUGGGAAUGGACUCUCGCCUCACAGCCCGUCUGGCGCGG 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 264 nucleotides 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 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1325 n_atoms_counter: 1325 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 264.000000 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) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq4m7-3d1e8d59/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq4m7-3d1e8d59/inputs/seq.fa: 1 curr_seq: _GGUUCGUUGCUACACUGUUAAUCUGGGUGACCUAUGCGAUUGGUCGCUGCUCGGGCUAGGCGCAGUCGUCCUACCAACACUUGCACCGUAUGUGCCCGGGUAGCCGCUUGCGCAAACCUUCUAAGGGCAUCGUACUGGGAGAUGCGCUCCCACUUUCGGAACCUCGGUGGCUCGGUGUCCCGGGGUUGCUCGCCUGGUAGUUAGUGGGGUACAUGACAGCCUAUCCUGGGAAUGGACUCUCGCCUCACAGCCCGUCUGGCGCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGUUCGUUGCUACACUGUUAAUCUGGGUGACCUAUGCGAUUGGUCGCUGCUCGGGCUAGGCGCAGUCGUCCUACCAACACUUGCACCGUAUGUGCCCGGGUAGCCGCUUGCGCAAACCUUCUAAGGGCAUCGUACUGGGAGAUGCGCUCCCACUUUCGGAACCUCGGUGGCUCGGUGUCCCGGGGUUGCUCGCCUGGUAGUUAGUGGGGUACAUGACAGCCUAUCCUGGGAAUGGACUCUCGCCUCACAGCCCGUCUGGCGCGG 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 264 nucleotides 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 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1325 n_atoms_counter: 1325 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 264.000000 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) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq4m7-3d1e8d59/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq4m7-3d1e8d59/inputs/seq.fa: 1 curr_seq: _GGUUCGUUGCUACACUGUUAAUCUGGGUGACCUAUGCGAUUGGUCGCUGCUCGGGCUAGGCGCAGUCGUCCUACCAACACUUGCACCGUAUGUGCCCGGGUAGCCGCUUGCGCAAACCUUCUAAGGGCAUCGUACUGGGAGAUGCGCUCCCACUUUCGGAACCUCGGUGGCUCGGUGUCCCGGGGUUGCUCGCCUGGUAGUUAGUGGGGUACAUGACAGCCUAUCCUGGGAAUGGACUCUCGCCUCACAGCCCGUCUGGCGCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGUUCGUUGCUACACUGUUAAUCUGGGUGACCUAUGCGAUUGGUCGCUGCUCGGGCUAGGCGCAGUCGUCCUACCAACACUUGCACCGUAUGUGCCCGGGUAGCCGCUUGCGCAAACCUUCUAAGGGCAUCGUACUGGGAGAUGCGCUCCCACUUUCGGAACCUCGGUGGCUCGGUGUCCCGGGGUUGCUCGCCUGGUAGUUAGUGGGGUACAUGACAGCCUAUCCUGGGAAUGGACUCUCGCCUCACAGCCCGUCUGGCGCGG 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 264 nucleotides 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 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1325 n_atoms_counter: 1325 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 264.000000 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) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq4m7-3d1e8d59/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq4m7-3d1e8d59/inputs/seq.fa: 1 curr_seq: _GGUUCGUUGCUACACUGUUAAUCUGGGUGACCUAUGCGAUUGGUCGCUGCUCGGGCUAGGCGCAGUCGUCCUACCAACACUUGCACCGUAUGUGCCCGGGUAGCCGCUUGCGCAAACCUUCUAAGGGCAUCGUACUGGGAGAUGCGCUCCCACUUUCGGAACCUCGGUGGCUCGGUGUCCCGGGGUUGCUCGCCUGGUAGUUAGUGGGGUACAUGACAGCCUAUCCUGGGAAUGGACUCUCGCCUCACAGCCCGUCUGGCGCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGUUCGUUGCUACACUGUUAAUCUGGGUGACCUAUGCGAUUGGUCGCUGCUCGGGCUAGGCGCAGUCGUCCUACCAACACUUGCACCGUAUGUGCCCGGGUAGCCGCUUGCGCAAACCUUCUAAGGGCAUCGUACUGGGAGAUGCGCUCCCACUUUCGGAACCUCGGUGGCUCGGUGUCCCGGGGUUGCUCGCCUGGUAGUUAGUGGGGUACAUGACAGCCUAUCCUGGGAAUGGACUCUCGCCUCACAGCCCGUCUGGCGCGG 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 264 nucleotides 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 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1325 n_atoms_counter: 1325 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 264.000000 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: -1070.321813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.321813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.321813 (E_RNA) where: Base-Base interactions energy: -42.913 where: short stacking energy: -42.913 Base-Backbone interact. energy: -0.000 local terms energy: -1027.408756 where: bonds (distance) C4'-P energy: -256.497 bonds (distance) P-C4' energy: -237.083 flat angles C4'-P-C4' energy: -193.835 flat angles P-C4'-P energy: -221.727 tors. eta vs tors. theta energy: -118.267 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: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -1070.321813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.321813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.321813 (E_RNA) where: Base-Base interactions energy: -42.913 where: short stacking energy: -42.913 Base-Backbone interact. energy: -0.000 local terms energy: -1027.408756 where: bonds (distance) C4'-P energy: -256.497 bonds (distance) P-C4' energy: -237.083 flat angles C4'-P-C4' energy: -193.835 flat angles P-C4'-P energy: -221.727 tors. eta vs tors. theta energy: -118.267 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: 1 Temperature: 1.000000 Total energy: -1070.321813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.321813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.321813 (E_RNA) where: Base-Base interactions energy: -42.913 where: short stacking energy: -42.913 Base-Backbone interact. energy: -0.000 local terms energy: -1027.408756 where: bonds (distance) C4'-P energy: -256.497 bonds (distance) P-C4' energy: -237.083 flat angles C4'-P-C4' energy: -193.835 flat angles P-C4'-P energy: -221.727 tors. eta vs tors. theta energy: -118.267 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: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -1070.321813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.321813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.321813 (E_RNA) where: Base-Base interactions energy: -42.913 where: short stacking energy: -42.913 Base-Backbone interact. energy: -0.000 local terms energy: -1027.408756 where: bonds (distance) C4'-P energy: -256.497 bonds (distance) P-C4' energy: -237.083 flat angles C4'-P-C4' energy: -193.835 flat angles P-C4'-P energy: -221.727 tors. eta vs tors. theta energy: -118.267 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: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -1070.321813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.321813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.321813 (E_RNA) where: Base-Base interactions energy: -42.913 where: short stacking energy: -42.913 Base-Backbone interact. energy: -0.000 local terms energy: -1027.408756 where: bonds (distance) C4'-P energy: -256.497 bonds (distance) P-C4' energy: -237.083 flat angles C4'-P-C4' energy: -193.835 flat angles P-C4'-P energy: -221.727 tors. eta vs tors. theta energy: -118.267 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: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -1070.321813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.321813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.321813 (E_RNA) where: Base-Base interactions energy: -42.913 where: short stacking energy: -42.913 Base-Backbone interact. energy: -0.000 local terms energy: -1027.408756 where: bonds (distance) C4'-P energy: -256.497 bonds (distance) P-C4' energy: -237.083 flat angles C4'-P-C4' energy: -193.835 flat angles P-C4'-P energy: -221.727 tors. eta vs tors. theta energy: -118.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -1070.321813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.321813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.321813 (E_RNA) where: Base-Base interactions energy: -42.913 where: short stacking energy: -42.913 Base-Backbone interact. energy: -0.000 local terms energy: -1027.408756 where: bonds (distance) C4'-P energy: -256.497 bonds (distance) P-C4' energy: -237.083 flat angles C4'-P-C4' energy: -193.835 flat angles P-C4'-P energy: -221.727 tors. eta vs tors. theta energy: -118.267 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: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -1070.321813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.321813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.321813 (E_RNA) where: Base-Base interactions energy: -42.913 where: short stacking energy: -42.913 Base-Backbone interact. energy: -0.000 local terms energy: -1027.408756 where: bonds (distance) C4'-P energy: -256.497 bonds (distance) P-C4' energy: -237.083 flat angles C4'-P-C4' energy: -193.835 flat angles P-C4'-P energy: -221.727 tors. eta vs tors. theta energy: -118.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -1070.321813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.321813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.321813 (E_RNA) where: Base-Base interactions energy: -42.913 where: short stacking energy: -42.913 Base-Backbone interact. energy: -0.000 local terms energy: -1027.408756 where: bonds (distance) C4'-P energy: -256.497 bonds (distance) P-C4' energy: -237.083 flat angles C4'-P-C4' energy: -193.835 flat angles P-C4'-P energy: -221.727 tors. eta vs tors. theta energy: -118.267 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: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -1070.321813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.321813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.321813 (E_RNA) where: Base-Base interactions energy: -42.913 where: short stacking energy: -42.913 Base-Backbone interact. energy: -0.000 local terms energy: -1027.408756 where: bonds (distance) C4'-P energy: -256.497 bonds (distance) P-C4' energy: -237.083 flat angles C4'-P-C4' energy: -193.835 flat angles P-C4'-P energy: -221.727 tors. eta vs tors. theta energy: -118.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -1299.991324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.991324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.991324 (E_RNA) where: Base-Base interactions energy: -563.129 where: short stacking energy: -562.391 Base-Backbone interact. energy: -0.064 local terms energy: -736.797798 where: bonds (distance) C4'-P energy: -164.782 bonds (distance) P-C4' energy: -180.189 flat angles C4'-P-C4' energy: -171.798 flat angles P-C4'-P energy: -94.926 tors. eta vs tors. theta energy: -125.104 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: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -1245.921779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.921779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.921779 (E_RNA) where: Base-Base interactions energy: -529.907 where: short stacking energy: -515.882 Base-Backbone interact. energy: 0.197 local terms energy: -716.212078 where: bonds (distance) C4'-P energy: -140.478 bonds (distance) P-C4' energy: -166.677 flat angles C4'-P-C4' energy: -175.972 flat angles P-C4'-P energy: -101.945 tors. eta vs tors. theta energy: -131.140 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: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -1167.489385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.489385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.489385 (E_RNA) where: Base-Base interactions energy: -487.218 where: short stacking energy: -486.290 Base-Backbone interact. energy: -0.485 local terms energy: -679.786401 where: bonds (distance) C4'-P energy: -154.154 bonds (distance) P-C4' energy: -144.878 flat angles C4'-P-C4' energy: -150.565 flat angles P-C4'-P energy: -110.059 tors. eta vs tors. theta energy: -120.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -1109.981691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.981691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.981691 (E_RNA) where: Base-Base interactions energy: -463.424 where: short stacking energy: -452.854 Base-Backbone interact. energy: -0.293 local terms energy: -646.264328 where: bonds (distance) C4'-P energy: -159.419 bonds (distance) P-C4' energy: -139.836 flat angles C4'-P-C4' energy: -164.412 flat angles P-C4'-P energy: -90.791 tors. eta vs tors. theta energy: -91.807 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: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -1069.919410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.919410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.919410 (E_RNA) where: Base-Base interactions energy: -45.797 where: short stacking energy: -45.797 Base-Backbone interact. energy: -0.000 local terms energy: -1024.122140 where: bonds (distance) C4'-P energy: -255.793 bonds (distance) P-C4' energy: -235.044 flat angles C4'-P-C4' energy: -193.312 flat angles P-C4'-P energy: -221.154 tors. eta vs tors. theta energy: -118.820 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: 2 Temperature: 1.150000 Total energy: -1071.738163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.738163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.738163 (E_RNA) where: Base-Base interactions energy: -110.324 where: short stacking energy: -110.324 Base-Backbone interact. energy: -0.000 local terms energy: -961.414077 where: bonds (distance) C4'-P energy: -225.250 bonds (distance) P-C4' energy: -201.066 flat angles C4'-P-C4' energy: -195.170 flat angles P-C4'-P energy: -211.666 tors. eta vs tors. theta energy: -128.263 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: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -1070.028244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.028244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.028244 (E_RNA) where: Base-Base interactions energy: -48.441 where: short stacking energy: -48.441 Base-Backbone interact. energy: -0.000 local terms energy: -1021.586749 where: bonds (distance) C4'-P energy: -254.589 bonds (distance) P-C4' energy: -234.783 flat angles C4'-P-C4' energy: -192.296 flat angles P-C4'-P energy: -221.069 tors. eta vs tors. theta energy: -118.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -1070.026887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.026887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.026887 (E_RNA) where: Base-Base interactions energy: -48.440 where: short stacking energy: -48.440 Base-Backbone interact. energy: -0.000 local terms energy: -1021.586749 where: bonds (distance) C4'-P energy: -254.589 bonds (distance) P-C4' energy: -234.783 flat angles C4'-P-C4' energy: -192.296 flat angles P-C4'-P energy: -221.069 tors. eta vs tors. theta energy: -118.850 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: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -1072.572681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.572681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.572681 (E_RNA) where: Base-Base interactions energy: -163.657 where: short stacking energy: -163.657 Base-Backbone interact. energy: -0.000 local terms energy: -908.915636 where: bonds (distance) C4'-P energy: -194.656 bonds (distance) P-C4' energy: -185.986 flat angles C4'-P-C4' energy: -197.325 flat angles P-C4'-P energy: -201.503 tors. eta vs tors. theta energy: -129.445 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: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -1070.195762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.195762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.195762 (E_RNA) where: Base-Base interactions energy: -48.837 where: short stacking energy: -48.837 Base-Backbone interact. energy: -0.000 local terms energy: -1021.358356 where: bonds (distance) C4'-P energy: -254.589 bonds (distance) P-C4' energy: -234.783 flat angles C4'-P-C4' energy: -192.217 flat angles P-C4'-P energy: -220.897 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: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -1349.358549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.358549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.358549 (E_RNA) where: Base-Base interactions energy: -611.491 where: short stacking energy: -599.458 Base-Backbone interact. energy: 0.709 local terms energy: -738.576743 where: bonds (distance) C4'-P energy: -155.787 bonds (distance) P-C4' energy: -163.692 flat angles C4'-P-C4' energy: -174.899 flat angles P-C4'-P energy: -104.263 tors. eta vs tors. theta energy: -139.937 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: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -1246.775664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.775664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.775664 (E_RNA) where: Base-Base interactions energy: -564.169 where: short stacking energy: -556.780 Base-Backbone interact. energy: 0.015 local terms energy: -682.621406 where: bonds (distance) C4'-P energy: -149.735 bonds (distance) P-C4' energy: -159.607 flat angles C4'-P-C4' energy: -153.860 flat angles P-C4'-P energy: -94.276 tors. eta vs tors. theta energy: -125.142 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: 3 Temperature: 1.000000 Total energy: -1169.340718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.340718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.340718 (E_RNA) where: Base-Base interactions energy: -517.332 where: short stacking energy: -490.844 Base-Backbone interact. energy: -0.468 local terms energy: -651.539953 where: bonds (distance) C4'-P energy: -141.343 bonds (distance) P-C4' energy: -170.840 flat angles C4'-P-C4' energy: -154.551 flat angles P-C4'-P energy: -95.940 tors. eta vs tors. theta energy: -88.865 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: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -1071.096835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.096835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.096835 (E_RNA) where: Base-Base interactions energy: -449.985 where: short stacking energy: -430.992 Base-Backbone interact. energy: 1.722 local terms energy: -622.834140 where: bonds (distance) C4'-P energy: -148.888 bonds (distance) P-C4' energy: -150.345 flat angles C4'-P-C4' energy: -146.673 flat angles P-C4'-P energy: -83.524 tors. eta vs tors. theta energy: -93.405 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: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -1015.971936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.971936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.971936 (E_RNA) where: Base-Base interactions energy: -434.111 where: short stacking energy: -419.188 Base-Backbone interact. energy: 0.787 local terms energy: -582.648188 where: bonds (distance) C4'-P energy: -141.717 bonds (distance) P-C4' energy: -158.577 flat angles C4'-P-C4' energy: -135.940 flat angles P-C4'-P energy: -76.884 tors. eta vs tors. theta energy: -69.531 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: 6, replica: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -937.218898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.218898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.218898 (E_RNA) where: Base-Base interactions energy: -404.423 where: short stacking energy: -352.733 Base-Backbone interact. energy: 0.490 local terms energy: -533.285865 where: bonds (distance) C4'-P energy: -146.846 bonds (distance) P-C4' energy: -134.174 flat angles C4'-P-C4' energy: -140.968 flat angles P-C4'-P energy: -73.113 tors. eta vs tors. theta energy: -38.185 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: 7, replica: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -885.568238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.568238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.568238 (E_RNA) where: Base-Base interactions energy: -335.683 where: short stacking energy: -318.425 Base-Backbone interact. energy: 0.211 local terms energy: -550.097049 where: bonds (distance) C4'-P energy: -146.844 bonds (distance) P-C4' energy: -149.284 flat angles C4'-P-C4' energy: -106.508 flat angles P-C4'-P energy: -100.022 tors. eta vs tors. theta energy: -47.439 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: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -784.390711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.390711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.390711 (E_RNA) where: Base-Base interactions energy: -289.341 where: short stacking energy: -258.652 Base-Backbone interact. energy: -0.843 local terms energy: -494.206972 where: bonds (distance) C4'-P energy: -138.236 bonds (distance) P-C4' energy: -142.995 flat angles C4'-P-C4' energy: -127.915 flat angles P-C4'-P energy: -69.807 tors. eta vs tors. theta energy: -15.253 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: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -731.113216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.113216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.113216 (E_RNA) where: Base-Base interactions energy: -242.717 where: short stacking energy: -229.807 Base-Backbone interact. energy: 2.686 local terms energy: -491.082230 where: bonds (distance) C4'-P energy: -129.732 bonds (distance) P-C4' energy: -126.341 flat angles C4'-P-C4' energy: -146.419 flat angles P-C4'-P energy: -85.810 tors. eta vs tors. theta energy: -2.781 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: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -694.845514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.845514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.845514 (E_RNA) where: Base-Base interactions energy: -211.470 where: short stacking energy: -200.105 Base-Backbone interact. energy: -0.848 local terms energy: -482.527459 where: bonds (distance) C4'-P energy: -121.093 bonds (distance) P-C4' energy: -148.353 flat angles C4'-P-C4' energy: -109.227 flat angles P-C4'-P energy: -81.567 tors. eta vs tors. theta energy: -22.288 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: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -1423.318411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.318411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.318411 (E_RNA) where: Base-Base interactions energy: -669.615 where: short stacking energy: -616.037 Base-Backbone interact. energy: 1.604 local terms energy: -755.307309 where: bonds (distance) C4'-P energy: -160.249 bonds (distance) P-C4' energy: -170.326 flat angles C4'-P-C4' energy: -169.907 flat angles P-C4'-P energy: -108.816 tors. eta vs tors. theta energy: -146.009 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: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -1283.589806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.589806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.589806 (E_RNA) where: Base-Base interactions energy: -584.873 where: short stacking energy: -572.270 Base-Backbone interact. energy: -0.425 local terms energy: -698.291596 where: bonds (distance) C4'-P energy: -155.039 bonds (distance) P-C4' energy: -141.649 flat angles C4'-P-C4' energy: -153.886 flat angles P-C4'-P energy: -104.818 tors. eta vs tors. theta energy: -142.899 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: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -1220.244152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.244152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.244152 (E_RNA) where: Base-Base interactions energy: -559.759 where: short stacking energy: -529.050 Base-Backbone interact. energy: -1.370 local terms energy: -659.114642 where: bonds (distance) C4'-P energy: -154.824 bonds (distance) P-C4' energy: -154.596 flat angles C4'-P-C4' energy: -158.335 flat angles P-C4'-P energy: -72.524 tors. eta vs tors. theta energy: -118.834 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: 5 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -1131.778440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.778440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.778440 (E_RNA) where: Base-Base interactions energy: -492.295 where: short stacking energy: -475.032 Base-Backbone interact. energy: 2.457 local terms energy: -641.940055 where: bonds (distance) C4'-P energy: -147.303 bonds (distance) P-C4' energy: -154.107 flat angles C4'-P-C4' energy: -141.569 flat angles P-C4'-P energy: -103.140 tors. eta vs tors. theta energy: -95.821 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: 5, replica: 4 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -996.638746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.638746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.638746 (E_RNA) where: Base-Base interactions energy: -394.969 where: short stacking energy: -385.015 Base-Backbone interact. energy: -0.075 local terms energy: -601.594787 where: bonds (distance) C4'-P energy: -133.539 bonds (distance) P-C4' energy: -152.325 flat angles C4'-P-C4' energy: -144.068 flat angles P-C4'-P energy: -87.198 tors. eta vs tors. theta energy: -84.466 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: 7 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -938.018497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.018497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.018497 (E_RNA) where: Base-Base interactions energy: -370.561 where: short stacking energy: -318.850 Base-Backbone interact. energy: -0.585 local terms energy: -566.872211 where: bonds (distance) C4'-P energy: -162.337 bonds (distance) P-C4' energy: -156.712 flat angles C4'-P-C4' energy: -124.726 flat angles P-C4'-P energy: -85.123 tors. eta vs tors. theta energy: -37.974 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: 6 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -804.687607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.687607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.687607 (E_RNA) where: Base-Base interactions energy: -323.989 where: short stacking energy: -314.942 Base-Backbone interact. energy: 5.945 local terms energy: -486.643805 where: bonds (distance) C4'-P energy: -120.383 bonds (distance) P-C4' energy: -161.525 flat angles C4'-P-C4' energy: -124.631 flat angles P-C4'-P energy: -63.688 tors. eta vs tors. theta energy: -16.416 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: 8, replica: 9 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -806.267086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.267086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.267086 (E_RNA) where: Base-Base interactions energy: -326.993 where: short stacking energy: -294.909 Base-Backbone interact. energy: -4.432 local terms energy: -474.842465 where: bonds (distance) C4'-P energy: -126.481 bonds (distance) P-C4' energy: -136.680 flat angles C4'-P-C4' energy: -128.843 flat angles P-C4'-P energy: -67.722 tors. eta vs tors. theta energy: -15.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -710.340848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.340848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.340848 (E_RNA) where: Base-Base interactions energy: -269.052 where: short stacking energy: -236.130 Base-Backbone interact. energy: 1.300 local terms energy: -442.588068 where: bonds (distance) C4'-P energy: -118.453 bonds (distance) P-C4' energy: -146.959 flat angles C4'-P-C4' energy: -125.270 flat angles P-C4'-P energy: -64.702 tors. eta vs tors. theta energy: 12.796 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: 10, replica: 8 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -625.568032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.568032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.568032 (E_RNA) where: Base-Base interactions energy: -213.590 where: short stacking energy: -175.107 Base-Backbone interact. energy: 1.858 local terms energy: -413.836528 where: bonds (distance) C4'-P energy: -134.688 bonds (distance) P-C4' energy: -144.746 flat angles C4'-P-C4' energy: -103.264 flat angles P-C4'-P energy: -61.838 tors. eta vs tors. theta energy: 30.699 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: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -1460.784437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.784437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.784437 (E_RNA) where: Base-Base interactions energy: -673.743 where: short stacking energy: -593.297 Base-Backbone interact. energy: -1.364 local terms energy: -785.676803 where: bonds (distance) C4'-P energy: -172.788 bonds (distance) P-C4' energy: -164.769 flat angles C4'-P-C4' energy: -185.145 flat angles P-C4'-P energy: -118.044 tors. eta vs tors. theta energy: -144.932 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: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -1332.994080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.994080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.994080 (E_RNA) where: Base-Base interactions energy: -613.831 where: short stacking energy: -570.695 Base-Backbone interact. energy: -1.287 local terms energy: -717.875943 where: bonds (distance) C4'-P energy: -157.151 bonds (distance) P-C4' energy: -165.278 flat angles C4'-P-C4' energy: -157.561 flat angles P-C4'-P energy: -106.177 tors. eta vs tors. theta energy: -131.708 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: 5 Temperature: 1.000000 Total energy: -1232.919173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.919173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.919173 (E_RNA) where: Base-Base interactions energy: -563.733 where: short stacking energy: -501.581 Base-Backbone interact. energy: -0.859 local terms energy: -668.326937 where: bonds (distance) C4'-P energy: -135.741 bonds (distance) P-C4' energy: -168.073 flat angles C4'-P-C4' energy: -156.429 flat angles P-C4'-P energy: -96.517 tors. eta vs tors. theta energy: -111.566 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: 5 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -1132.382912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.382912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.382912 (E_RNA) where: Base-Base interactions energy: -509.427 where: short stacking energy: -420.746 Base-Backbone interact. energy: -0.661 local terms energy: -622.294323 where: bonds (distance) C4'-P energy: -140.441 bonds (distance) P-C4' energy: -164.808 flat angles C4'-P-C4' energy: -165.639 flat angles P-C4'-P energy: -92.576 tors. eta vs tors. theta energy: -58.831 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: 4 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -1033.874922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.874922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.874922 (E_RNA) where: Base-Base interactions energy: -465.762 where: short stacking energy: -384.548 Base-Backbone interact. energy: 3.188 local terms energy: -571.301476 where: bonds (distance) C4'-P energy: -122.842 bonds (distance) P-C4' energy: -143.759 flat angles C4'-P-C4' energy: -160.290 flat angles P-C4'-P energy: -91.202 tors. eta vs tors. theta energy: -53.209 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: 7 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -989.486046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.486046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.486046 (E_RNA) where: Base-Base interactions energy: -430.829 where: short stacking energy: -352.013 Base-Backbone interact. energy: -1.944 local terms energy: -556.713232 where: bonds (distance) C4'-P energy: -126.298 bonds (distance) P-C4' energy: -150.476 flat angles C4'-P-C4' energy: -138.794 flat angles P-C4'-P energy: -86.484 tors. eta vs tors. theta energy: -54.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -849.682413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.682413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.682413 (E_RNA) where: Base-Base interactions energy: -342.804 where: short stacking energy: -295.763 Base-Backbone interact. energy: -4.384 local terms energy: -502.493848 where: bonds (distance) C4'-P energy: -126.921 bonds (distance) P-C4' energy: -143.301 flat angles C4'-P-C4' energy: -118.813 flat angles P-C4'-P energy: -81.902 tors. eta vs tors. theta energy: -31.557 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: 5 Temperature: 1.250000 Total energy: -860.869005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.869005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.869005 (E_RNA) where: Base-Base interactions energy: -332.505 where: short stacking energy: -277.224 Base-Backbone interact. energy: -1.250 local terms energy: -527.113890 where: bonds (distance) C4'-P energy: -140.273 bonds (distance) P-C4' energy: -152.783 flat angles C4'-P-C4' energy: -147.962 flat angles P-C4'-P energy: -67.415 tors. eta vs tors. theta energy: -18.681 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: 9, replica: 9 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -726.119027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.119027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.119027 (E_RNA) where: Base-Base interactions energy: -294.419 where: short stacking energy: -243.632 Base-Backbone interact. energy: -1.755 local terms energy: -429.944282 where: bonds (distance) C4'-P energy: -113.063 bonds (distance) P-C4' energy: -147.130 flat angles C4'-P-C4' energy: -106.690 flat angles P-C4'-P energy: -59.614 tors. eta vs tors. theta energy: -3.447 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: 8 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -656.526539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.526539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.526539 (E_RNA) where: Base-Base interactions energy: -245.480 where: short stacking energy: -213.649 Base-Backbone interact. energy: -0.365 local terms energy: -410.681239 where: bonds (distance) C4'-P energy: -131.474 bonds (distance) P-C4' energy: -151.962 flat angles C4'-P-C4' energy: -80.940 flat angles P-C4'-P energy: -68.887 tors. eta vs tors. theta energy: 22.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1499.154533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.154533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.154533 (E_RNA) where: Base-Base interactions energy: -737.556 where: short stacking energy: -606.896 Base-Backbone interact. energy: 0.622 local terms energy: -762.221210 where: bonds (distance) C4'-P energy: -163.496 bonds (distance) P-C4' energy: -157.478 flat angles C4'-P-C4' energy: -177.700 flat angles P-C4'-P energy: -114.072 tors. eta vs tors. theta energy: -149.476 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: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -1297.317749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.317749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.317749 (E_RNA) where: Base-Base interactions energy: -607.868 where: short stacking energy: -555.136 Base-Backbone interact. energy: -0.501 local terms energy: -688.948523 where: bonds (distance) C4'-P energy: -140.336 bonds (distance) P-C4' energy: -162.811 flat angles C4'-P-C4' energy: -149.597 flat angles P-C4'-P energy: -110.907 tors. eta vs tors. theta energy: -125.297 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: 3, replica: 3 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -1269.189600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.189600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.189600 (E_RNA) where: Base-Base interactions energy: -595.633 where: short stacking energy: -486.183 Base-Backbone interact. energy: 1.739 local terms energy: -675.295585 where: bonds (distance) C4'-P energy: -141.598 bonds (distance) P-C4' energy: -153.057 flat angles C4'-P-C4' energy: -170.623 flat angles P-C4'-P energy: -103.386 tors. eta vs tors. theta energy: -106.632 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: 4, replica: 5 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -1251.191518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.191518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.191518 (E_RNA) where: Base-Base interactions energy: -615.484 where: short stacking energy: -455.064 Base-Backbone interact. energy: -0.584 local terms energy: -635.123743 where: bonds (distance) C4'-P energy: -159.167 bonds (distance) P-C4' energy: -158.291 flat angles C4'-P-C4' energy: -146.783 flat angles P-C4'-P energy: -95.450 tors. eta vs tors. theta energy: -75.435 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: 4 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -1095.127175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.127175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.127175 (E_RNA) where: Base-Base interactions energy: -520.211 where: short stacking energy: -397.022 Base-Backbone interact. energy: -0.186 local terms energy: -574.729592 where: bonds (distance) C4'-P energy: -149.886 bonds (distance) P-C4' energy: -152.528 flat angles C4'-P-C4' energy: -150.860 flat angles P-C4'-P energy: -82.717 tors. eta vs tors. theta energy: -38.739 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: 6, replica: 7 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -1099.043113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.043113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.043113 (E_RNA) where: Base-Base interactions energy: -548.142 where: short stacking energy: -375.222 Base-Backbone interact. energy: -1.598 local terms energy: -549.302933 where: bonds (distance) C4'-P energy: -128.844 bonds (distance) P-C4' energy: -152.764 flat angles C4'-P-C4' energy: -134.892 flat angles P-C4'-P energy: -84.628 tors. eta vs tors. theta energy: -48.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -859.200643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.200643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.200643 (E_RNA) where: Base-Base interactions energy: -314.899 where: short stacking energy: -291.623 Base-Backbone interact. energy: -5.812 local terms energy: -538.490431 where: bonds (distance) C4'-P energy: -137.719 bonds (distance) P-C4' energy: -155.282 flat angles C4'-P-C4' energy: -141.017 flat angles P-C4'-P energy: -71.795 tors. eta vs tors. theta energy: -32.677 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: 8, replica: 10 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -900.035074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.035074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.035074 (E_RNA) where: Base-Base interactions energy: -423.285 where: short stacking energy: -295.907 Base-Backbone interact. energy: 1.237 local terms energy: -477.986665 where: bonds (distance) C4'-P energy: -117.202 bonds (distance) P-C4' energy: -136.517 flat angles C4'-P-C4' energy: -113.681 flat angles P-C4'-P energy: -72.659 tors. eta vs tors. theta energy: -37.928 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: 9 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -683.239886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.239886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.239886 (E_RNA) where: Base-Base interactions energy: -237.538 where: short stacking energy: -223.876 Base-Backbone interact. energy: 0.522 local terms energy: -446.223016 where: bonds (distance) C4'-P energy: -134.139 bonds (distance) P-C4' energy: -137.470 flat angles C4'-P-C4' energy: -113.322 flat angles P-C4'-P energy: -81.711 tors. eta vs tors. theta energy: 20.418 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: 8 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -606.709994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.709994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.709994 (E_RNA) where: Base-Base interactions energy: -209.098 where: short stacking energy: -159.955 Base-Backbone interact. energy: 8.673 local terms energy: -406.284334 where: bonds (distance) C4'-P energy: -136.312 bonds (distance) P-C4' energy: -141.172 flat angles C4'-P-C4' energy: -122.385 flat angles P-C4'-P energy: -46.748 tors. eta vs tors. theta energy: 40.333 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: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1597.257032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.257032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.257032 (E_RNA) where: Base-Base interactions energy: -846.980 where: short stacking energy: -638.546 Base-Backbone interact. energy: 2.503 local terms energy: -752.779534 where: bonds (distance) C4'-P energy: -143.919 bonds (distance) P-C4' energy: -170.370 flat angles C4'-P-C4' energy: -181.466 flat angles P-C4'-P energy: -100.588 tors. eta vs tors. theta energy: -156.436 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: 2 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -1414.195956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.195956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.195956 (E_RNA) where: Base-Base interactions energy: -666.133 where: short stacking energy: -571.933 Base-Backbone interact. energy: 0.081 local terms energy: -748.143829 where: bonds (distance) C4'-P energy: -171.216 bonds (distance) P-C4' energy: -165.280 flat angles C4'-P-C4' energy: -168.954 flat angles P-C4'-P energy: -109.130 tors. eta vs tors. theta energy: -133.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -1381.104581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.104581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.104581 (E_RNA) where: Base-Base interactions energy: -672.044 where: short stacking energy: -526.130 Base-Backbone interact. energy: 0.865 local terms energy: -709.925717 where: bonds (distance) C4'-P energy: -161.388 bonds (distance) P-C4' energy: -159.833 flat angles C4'-P-C4' energy: -157.120 flat angles P-C4'-P energy: -96.875 tors. eta vs tors. theta energy: -134.710 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: 5 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -1370.668662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.668662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.668662 (E_RNA) where: Base-Base interactions energy: -717.802 where: short stacking energy: -462.049 Base-Backbone interact. energy: 1.774 local terms energy: -654.640086 where: bonds (distance) C4'-P energy: -170.374 bonds (distance) P-C4' energy: -157.091 flat angles C4'-P-C4' energy: -151.945 flat angles P-C4'-P energy: -92.925 tors. eta vs tors. theta energy: -82.305 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: 7 Temperature: 1.100000 Total energy: -1090.530584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.530584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.530584 (E_RNA) where: Base-Base interactions energy: -515.351 where: short stacking energy: -378.988 Base-Backbone interact. energy: -0.030 local terms energy: -575.149414 where: bonds (distance) C4'-P energy: -153.012 bonds (distance) P-C4' energy: -145.417 flat angles C4'-P-C4' energy: -145.653 flat angles P-C4'-P energy: -83.263 tors. eta vs tors. theta energy: -47.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -1139.009919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.009919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.009919 (E_RNA) where: Base-Base interactions energy: -600.982 where: short stacking energy: -376.367 Base-Backbone interact. energy: 3.947 local terms energy: -541.975639 where: bonds (distance) C4'-P energy: -147.358 bonds (distance) P-C4' energy: -138.162 flat angles C4'-P-C4' energy: -133.719 flat angles P-C4'-P energy: -69.324 tors. eta vs tors. theta energy: -53.413 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: 7, replica: 6 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -907.118653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.118653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.118653 (E_RNA) where: Base-Base interactions energy: -391.533 where: short stacking energy: -285.715 Base-Backbone interact. energy: -0.148 local terms energy: -515.437921 where: bonds (distance) C4'-P energy: -157.059 bonds (distance) P-C4' energy: -144.890 flat angles C4'-P-C4' energy: -120.277 flat angles P-C4'-P energy: -79.115 tors. eta vs tors. theta energy: -14.097 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: 8, replica: 10 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -963.790553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.790553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.790553 (E_RNA) where: Base-Base interactions energy: -453.246 where: short stacking energy: -285.077 Base-Backbone interact. energy: 2.426 local terms energy: -512.970428 where: bonds (distance) C4'-P energy: -138.854 bonds (distance) P-C4' energy: -134.016 flat angles C4'-P-C4' energy: -138.284 flat angles P-C4'-P energy: -78.637 tors. eta vs tors. theta energy: -23.179 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: 9, replica: 9 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -683.761546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.761546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.761546 (E_RNA) where: Base-Base interactions energy: -263.551 where: short stacking energy: -217.232 Base-Backbone interact. energy: 1.057 local terms energy: -421.268212 where: bonds (distance) C4'-P energy: -126.926 bonds (distance) P-C4' energy: -128.601 flat angles C4'-P-C4' energy: -125.419 flat angles P-C4'-P energy: -59.981 tors. eta vs tors. theta energy: 19.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -634.949788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.949788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.949788 (E_RNA) where: Base-Base interactions energy: -260.147 where: short stacking energy: -203.933 Base-Backbone interact. energy: 1.906 local terms energy: -376.708689 where: bonds (distance) C4'-P energy: -120.144 bonds (distance) P-C4' energy: -132.192 flat angles C4'-P-C4' energy: -98.453 flat angles P-C4'-P energy: -49.993 tors. eta vs tors. theta energy: 24.073 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: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1614.713220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.713220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.713220 (E_RNA) where: Base-Base interactions energy: -891.947 where: short stacking energy: -571.676 Base-Backbone interact. energy: -0.911 local terms energy: -721.854496 where: bonds (distance) C4'-P energy: -162.308 bonds (distance) P-C4' energy: -162.829 flat angles C4'-P-C4' energy: -167.441 flat angles P-C4'-P energy: -99.878 tors. eta vs tors. theta energy: -129.398 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: 2 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1421.970191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.970191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.970191 (E_RNA) where: Base-Base interactions energy: -686.427 where: short stacking energy: -590.895 Base-Backbone interact. energy: 0.948 local terms energy: -736.490899 where: bonds (distance) C4'-P energy: -161.210 bonds (distance) P-C4' energy: -160.264 flat angles C4'-P-C4' energy: -170.167 flat angles P-C4'-P energy: -108.258 tors. eta vs tors. theta energy: -136.592 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: 5 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1497.907792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.907792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.907792 (E_RNA) where: Base-Base interactions energy: -809.198 where: short stacking energy: -514.639 Base-Backbone interact. energy: 0.341 local terms energy: -689.050577 where: bonds (distance) C4'-P energy: -161.890 bonds (distance) P-C4' energy: -164.911 flat angles C4'-P-C4' energy: -162.080 flat angles P-C4'-P energy: -98.705 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: 4, replica: 3 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -1308.389012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.389012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.389012 (E_RNA) where: Base-Base interactions energy: -664.362 where: short stacking energy: -461.338 Base-Backbone interact. energy: 1.501 local terms energy: -645.527852 where: bonds (distance) C4'-P energy: -136.169 bonds (distance) P-C4' energy: -152.454 flat angles C4'-P-C4' energy: -152.040 flat angles P-C4'-P energy: -107.058 tors. eta vs tors. theta energy: -97.806 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: 5, replica: 4 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -1091.932374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.932374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.932374 (E_RNA) where: Base-Base interactions energy: -506.219 where: short stacking energy: -392.783 Base-Backbone interact. energy: 0.072 local terms energy: -585.785648 where: bonds (distance) C4'-P energy: -144.753 bonds (distance) P-C4' energy: -158.974 flat angles C4'-P-C4' energy: -135.095 flat angles P-C4'-P energy: -78.036 tors. eta vs tors. theta energy: -68.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -1152.884644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.884644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.884644 (E_RNA) where: Base-Base interactions energy: -591.428 where: short stacking energy: -383.582 Base-Backbone interact. energy: 0.887 local terms energy: -562.343950 where: bonds (distance) C4'-P energy: -127.713 bonds (distance) P-C4' energy: -147.424 flat angles C4'-P-C4' energy: -144.398 flat angles P-C4'-P energy: -83.661 tors. eta vs tors. theta energy: -59.147 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: 7, replica: 6 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -885.108812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.108812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.108812 (E_RNA) where: Base-Base interactions energy: -373.015 where: short stacking energy: -281.430 Base-Backbone interact. energy: -0.671 local terms energy: -511.422984 where: bonds (distance) C4'-P energy: -138.224 bonds (distance) P-C4' energy: -151.469 flat angles C4'-P-C4' energy: -129.092 flat angles P-C4'-P energy: -81.934 tors. eta vs tors. theta energy: -10.703 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: 8, replica: 10 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -955.784726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.784726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.784726 (E_RNA) where: Base-Base interactions energy: -489.845 where: short stacking energy: -312.255 Base-Backbone interact. energy: 1.838 local terms energy: -467.778017 where: bonds (distance) C4'-P energy: -119.528 bonds (distance) P-C4' energy: -137.401 flat angles C4'-P-C4' energy: -141.896 flat angles P-C4'-P energy: -60.996 tors. eta vs tors. theta energy: -7.957 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: 9, replica: 8 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -653.531200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.531200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.531200 (E_RNA) where: Base-Base interactions energy: -201.955 where: short stacking energy: -184.175 Base-Backbone interact. energy: -0.346 local terms energy: -451.230581 where: bonds (distance) C4'-P energy: -150.137 bonds (distance) P-C4' energy: -144.089 flat angles C4'-P-C4' energy: -122.523 flat angles P-C4'-P energy: -67.427 tors. eta vs tors. theta energy: 32.945 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: 9 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -676.637374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.637374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.637374 (E_RNA) where: Base-Base interactions energy: -273.016 where: short stacking energy: -158.451 Base-Backbone interact. energy: 0.847 local terms energy: -404.468356 where: bonds (distance) C4'-P energy: -122.976 bonds (distance) P-C4' energy: -153.137 flat angles C4'-P-C4' energy: -98.540 flat angles P-C4'-P energy: -61.024 tors. eta vs tors. theta energy: 31.208 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: 1, replica: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1607.263280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.263280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.263280 (E_RNA) where: Base-Base interactions energy: -861.019 where: short stacking energy: -572.560 Base-Backbone interact. energy: 2.049 local terms energy: -748.292493 where: bonds (distance) C4'-P energy: -158.770 bonds (distance) P-C4' energy: -170.399 flat angles C4'-P-C4' energy: -176.618 flat angles P-C4'-P energy: -116.447 tors. eta vs tors. theta energy: -126.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1636.479516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.479516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.479516 (E_RNA) where: Base-Base interactions energy: -911.449 where: short stacking energy: -599.355 Base-Backbone interact. energy: -0.819 local terms energy: -724.212337 where: bonds (distance) C4'-P energy: -165.977 bonds (distance) P-C4' energy: -164.597 flat angles C4'-P-C4' energy: -165.959 flat angles P-C4'-P energy: -113.052 tors. eta vs tors. theta energy: -114.627 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: 2 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1333.378459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.378459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.378459 (E_RNA) where: Base-Base interactions energy: -700.165 where: short stacking energy: -516.686 Base-Backbone interact. energy: -2.168 local terms energy: -631.045491 where: bonds (distance) C4'-P energy: -132.386 bonds (distance) P-C4' energy: -144.477 flat angles C4'-P-C4' energy: -155.516 flat angles P-C4'-P energy: -94.902 tors. eta vs tors. theta energy: -103.764 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: 3 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -1350.118442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.118442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.118442 (E_RNA) where: Base-Base interactions energy: -699.602 where: short stacking energy: -459.756 Base-Backbone interact. energy: -0.157 local terms energy: -650.359314 where: bonds (distance) C4'-P energy: -157.983 bonds (distance) P-C4' energy: -164.650 flat angles C4'-P-C4' energy: -139.467 flat angles P-C4'-P energy: -97.132 tors. eta vs tors. theta energy: -91.128 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: 5, replica: 4 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -1116.873923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.873923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.873923 (E_RNA) where: Base-Base interactions energy: -541.625 where: short stacking energy: -434.583 Base-Backbone interact. energy: 0.689 local terms energy: -575.937633 where: bonds (distance) C4'-P energy: -143.450 bonds (distance) P-C4' energy: -146.062 flat angles C4'-P-C4' energy: -135.042 flat angles P-C4'-P energy: -80.452 tors. eta vs tors. theta energy: -70.932 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: 6, replica: 7 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -1150.485375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.485375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.485375 (E_RNA) where: Base-Base interactions energy: -600.086 where: short stacking energy: -401.161 Base-Backbone interact. energy: 1.938 local terms energy: -552.337637 where: bonds (distance) C4'-P energy: -151.702 bonds (distance) P-C4' energy: -128.873 flat angles C4'-P-C4' energy: -137.127 flat angles P-C4'-P energy: -80.600 tors. eta vs tors. theta energy: -54.036 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: 7, replica: 6 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -941.509440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.509440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.509440 (E_RNA) where: Base-Base interactions energy: -464.632 where: short stacking energy: -304.242 Base-Backbone interact. energy: 3.549 local terms energy: -480.426789 where: bonds (distance) C4'-P energy: -140.238 bonds (distance) P-C4' energy: -120.938 flat angles C4'-P-C4' energy: -119.910 flat angles P-C4'-P energy: -84.939 tors. eta vs tors. theta energy: -14.401 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: 8, replica: 10 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -961.825201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.825201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.825201 (E_RNA) where: Base-Base interactions energy: -456.694 where: short stacking energy: -300.476 Base-Backbone interact. energy: -1.343 local terms energy: -503.788848 where: bonds (distance) C4'-P energy: -139.931 bonds (distance) P-C4' energy: -141.871 flat angles C4'-P-C4' energy: -123.801 flat angles P-C4'-P energy: -78.402 tors. eta vs tors. theta energy: -19.784 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: 9, replica: 8 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -704.927989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.927989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.927989 (E_RNA) where: Base-Base interactions energy: -284.801 where: short stacking energy: -230.544 Base-Backbone interact. energy: 1.706 local terms energy: -421.832276 where: bonds (distance) C4'-P energy: -139.622 bonds (distance) P-C4' energy: -131.876 flat angles C4'-P-C4' energy: -97.883 flat angles P-C4'-P energy: -62.366 tors. eta vs tors. theta energy: 9.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -734.289970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.289970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.289970 (E_RNA) where: Base-Base interactions energy: -310.763 where: short stacking energy: -220.283 Base-Backbone interact. energy: 3.819 local terms energy: -427.346219 where: bonds (distance) C4'-P energy: -129.932 bonds (distance) P-C4' energy: -139.986 flat angles C4'-P-C4' energy: -121.633 flat angles P-C4'-P energy: -58.451 tors. eta vs tors. theta energy: 22.656 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: 1, replica: 5 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1793.235643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.235643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.235643 (E_RNA) where: Base-Base interactions energy: -1043.594 where: short stacking energy: -683.300 Base-Backbone interact. energy: 2.678 local terms energy: -752.319451 where: bonds (distance) C4'-P energy: -140.132 bonds (distance) P-C4' energy: -158.816 flat angles C4'-P-C4' energy: -176.948 flat angles P-C4'-P energy: -110.780 tors. eta vs tors. theta energy: -165.643 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: 1 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1534.040759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.040759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.040759 (E_RNA) where: Base-Base interactions energy: -846.742 where: short stacking energy: -559.943 Base-Backbone interact. energy: -0.432 local terms energy: -686.866419 where: bonds (distance) C4'-P energy: -152.419 bonds (distance) P-C4' energy: -153.241 flat angles C4'-P-C4' energy: -164.823 flat angles P-C4'-P energy: -102.872 tors. eta vs tors. theta energy: -113.511 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: 3, replica: 3 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1476.091318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.091318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.091318 (E_RNA) where: Base-Base interactions energy: -796.984 where: short stacking energy: -506.771 Base-Backbone interact. energy: 3.313 local terms energy: -682.420701 where: bonds (distance) C4'-P energy: -148.518 bonds (distance) P-C4' energy: -170.044 flat angles C4'-P-C4' energy: -142.125 flat angles P-C4'-P energy: -110.989 tors. eta vs tors. theta energy: -110.744 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: 4, replica: 2 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -1264.198631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.198631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.198631 (E_RNA) where: Base-Base interactions energy: -658.433 where: short stacking energy: -471.890 Base-Backbone interact. energy: 1.678 local terms energy: -607.443240 where: bonds (distance) C4'-P energy: -142.174 bonds (distance) P-C4' energy: -148.416 flat angles C4'-P-C4' energy: -125.885 flat angles P-C4'-P energy: -99.463 tors. eta vs tors. theta energy: -91.505 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: 5, replica: 7 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -1296.287110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.287110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.287110 (E_RNA) where: Base-Base interactions energy: -674.270 where: short stacking energy: -452.860 Base-Backbone interact. energy: -0.169 local terms energy: -621.847654 where: bonds (distance) C4'-P energy: -167.615 bonds (distance) P-C4' energy: -153.627 flat angles C4'-P-C4' energy: -136.966 flat angles P-C4'-P energy: -89.194 tors. eta vs tors. theta energy: -74.445 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: 6, replica: 4 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -1072.846015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.846015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.846015 (E_RNA) where: Base-Base interactions energy: -534.239 where: short stacking energy: -356.235 Base-Backbone interact. energy: 2.405 local terms energy: -541.012178 where: bonds (distance) C4'-P energy: -134.773 bonds (distance) P-C4' energy: -152.626 flat angles C4'-P-C4' energy: -134.545 flat angles P-C4'-P energy: -62.244 tors. eta vs tors. theta energy: -56.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -1052.297808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.297808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.297808 (E_RNA) where: Base-Base interactions energy: -542.386 where: short stacking energy: -355.024 Base-Backbone interact. energy: 5.099 local terms energy: -515.010678 where: bonds (distance) C4'-P energy: -130.034 bonds (distance) P-C4' energy: -135.685 flat angles C4'-P-C4' energy: -134.842 flat angles P-C4'-P energy: -68.610 tors. eta vs tors. theta energy: -45.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -1031.849276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.849276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.849276 (E_RNA) where: Base-Base interactions energy: -554.093 where: short stacking energy: -343.288 Base-Backbone interact. energy: -1.657 local terms energy: -476.099440 where: bonds (distance) C4'-P energy: -138.208 bonds (distance) P-C4' energy: -113.913 flat angles C4'-P-C4' energy: -119.200 flat angles P-C4'-P energy: -87.638 tors. eta vs tors. theta energy: -17.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -788.046290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.046290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.046290 (E_RNA) where: Base-Base interactions energy: -346.542 where: short stacking energy: -261.072 Base-Backbone interact. energy: 4.915 local terms energy: -446.419505 where: bonds (distance) C4'-P energy: -118.171 bonds (distance) P-C4' energy: -141.805 flat angles C4'-P-C4' energy: -110.585 flat angles P-C4'-P energy: -72.497 tors. eta vs tors. theta energy: -3.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -639.568295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.568295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.568295 (E_RNA) where: Base-Base interactions energy: -224.188 where: short stacking energy: -168.966 Base-Backbone interact. energy: 2.067 local terms energy: -417.447262 where: bonds (distance) C4'-P energy: -134.363 bonds (distance) P-C4' energy: -144.231 flat angles C4'-P-C4' energy: -122.406 flat angles P-C4'-P energy: -57.113 tors. eta vs tors. theta energy: 40.666 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: 1, replica: 5 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1784.400560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.400560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.400560 (E_RNA) where: Base-Base interactions energy: -1016.504 where: short stacking energy: -665.495 Base-Backbone interact. energy: -0.897 local terms energy: -766.998977 where: bonds (distance) C4'-P energy: -158.117 bonds (distance) P-C4' energy: -159.968 flat angles C4'-P-C4' energy: -181.392 flat angles P-C4'-P energy: -106.004 tors. eta vs tors. theta energy: -161.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1554.564794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.564794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.564794 (E_RNA) where: Base-Base interactions energy: -871.520 where: short stacking energy: -601.678 Base-Backbone interact. energy: -2.733 local terms energy: -680.311686 where: bonds (distance) C4'-P energy: -146.861 bonds (distance) P-C4' energy: -155.510 flat angles C4'-P-C4' energy: -145.084 flat angles P-C4'-P energy: -98.859 tors. eta vs tors. theta energy: -133.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1627.068914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.068914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.068914 (E_RNA) where: Base-Base interactions energy: -938.850 where: short stacking energy: -566.827 Base-Backbone interact. energy: 8.324 local terms energy: -696.543572 where: bonds (distance) C4'-P energy: -152.236 bonds (distance) P-C4' energy: -143.631 flat angles C4'-P-C4' energy: -167.410 flat angles P-C4'-P energy: -100.677 tors. eta vs tors. theta energy: -132.589 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: 4, replica: 7 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1431.484430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.484430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.484430 (E_RNA) where: Base-Base interactions energy: -780.056 where: short stacking energy: -486.518 Base-Backbone interact. energy: -0.506 local terms energy: -650.921916 where: bonds (distance) C4'-P energy: -149.931 bonds (distance) P-C4' energy: -166.630 flat angles C4'-P-C4' energy: -157.026 flat angles P-C4'-P energy: -84.934 tors. eta vs tors. theta energy: -92.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -1230.650910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.650910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.650910 (E_RNA) where: Base-Base interactions energy: -636.401 where: short stacking energy: -410.065 Base-Backbone interact. energy: -2.228 local terms energy: -592.021808 where: bonds (distance) C4'-P energy: -144.229 bonds (distance) P-C4' energy: -133.614 flat angles C4'-P-C4' energy: -164.474 flat angles P-C4'-P energy: -86.080 tors. eta vs tors. theta energy: -63.625 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: 6, replica: 4 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -1079.918787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.918787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.918787 (E_RNA) where: Base-Base interactions energy: -541.434 where: short stacking energy: -386.035 Base-Backbone interact. energy: 5.682 local terms energy: -544.167493 where: bonds (distance) C4'-P energy: -145.716 bonds (distance) P-C4' energy: -141.965 flat angles C4'-P-C4' energy: -138.106 flat angles P-C4'-P energy: -64.350 tors. eta vs tors. theta energy: -54.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -925.019262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.019262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.019262 (E_RNA) where: Base-Base interactions energy: -424.788 where: short stacking energy: -300.900 Base-Backbone interact. energy: 1.381 local terms energy: -501.611931 where: bonds (distance) C4'-P energy: -133.082 bonds (distance) P-C4' energy: -136.235 flat angles C4'-P-C4' energy: -127.667 flat angles P-C4'-P energy: -84.693 tors. eta vs tors. theta energy: -19.936 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: 11 Temperature: 1.250000 Total energy: -1007.163419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.163419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.163419 (E_RNA) where: Base-Base interactions energy: -537.903 where: short stacking energy: -317.333 Base-Backbone interact. energy: -3.954 local terms energy: -465.307128 where: bonds (distance) C4'-P energy: -119.759 bonds (distance) P-C4' energy: -136.877 flat angles C4'-P-C4' energy: -113.420 flat angles P-C4'-P energy: -75.555 tors. eta vs tors. theta energy: -19.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -759.602043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.602043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.602043 (E_RNA) where: Base-Base interactions energy: -339.291 where: short stacking energy: -239.912 Base-Backbone interact. energy: 4.284 local terms energy: -424.595337 where: bonds (distance) C4'-P energy: -140.769 bonds (distance) P-C4' energy: -133.174 flat angles C4'-P-C4' energy: -101.018 flat angles P-C4'-P energy: -65.274 tors. eta vs tors. theta energy: 15.639 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: 8 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -620.934133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.934133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.934133 (E_RNA) where: Base-Base interactions energy: -200.762 where: short stacking energy: -170.054 Base-Backbone interact. energy: 1.131 local terms energy: -421.302815 where: bonds (distance) C4'-P energy: -113.106 bonds (distance) P-C4' energy: -145.135 flat angles C4'-P-C4' energy: -131.595 flat angles P-C4'-P energy: -51.772 tors. eta vs tors. theta energy: 20.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1771.880130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.880130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.880130 (E_RNA) where: Base-Base interactions energy: -994.289 where: short stacking energy: -655.180 Base-Backbone interact. energy: -2.939 local terms energy: -774.652832 where: bonds (distance) C4'-P energy: -149.708 bonds (distance) P-C4' energy: -170.859 flat angles C4'-P-C4' energy: -180.273 flat angles P-C4'-P energy: -107.373 tors. eta vs tors. theta energy: -166.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1542.198583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.198583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.198583 (E_RNA) where: Base-Base interactions energy: -829.096 where: short stacking energy: -573.295 Base-Backbone interact. energy: -0.923 local terms energy: -712.179626 where: bonds (distance) C4'-P energy: -148.603 bonds (distance) P-C4' energy: -153.163 flat angles C4'-P-C4' energy: -159.594 flat angles P-C4'-P energy: -105.630 tors. eta vs tors. theta energy: -145.189 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: 3, replica: 3 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1622.727191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.727191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.727191 (E_RNA) where: Base-Base interactions energy: -939.327 where: short stacking energy: -539.678 Base-Backbone interact. energy: 0.432 local terms energy: -683.832779 where: bonds (distance) C4'-P energy: -152.983 bonds (distance) P-C4' energy: -159.731 flat angles C4'-P-C4' energy: -168.959 flat angles P-C4'-P energy: -98.886 tors. eta vs tors. theta energy: -103.274 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: 7 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1471.772984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.772984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.772984 (E_RNA) where: Base-Base interactions energy: -803.933 where: short stacking energy: -506.052 Base-Backbone interact. energy: 2.599 local terms energy: -670.438724 where: bonds (distance) C4'-P energy: -162.744 bonds (distance) P-C4' energy: -149.747 flat angles C4'-P-C4' energy: -159.299 flat angles P-C4'-P energy: -97.529 tors. eta vs tors. theta energy: -101.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -1303.685020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.685020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.685020 (E_RNA) where: Base-Base interactions energy: -689.288 where: short stacking energy: -422.072 Base-Backbone interact. energy: 5.806 local terms energy: -620.202966 where: bonds (distance) C4'-P energy: -156.515 bonds (distance) P-C4' energy: -158.999 flat angles C4'-P-C4' energy: -162.816 flat angles P-C4'-P energy: -82.323 tors. eta vs tors. theta energy: -59.550 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: 6, replica: 4 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -1146.083348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.083348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.083348 (E_RNA) where: Base-Base interactions energy: -571.520 where: short stacking energy: -392.847 Base-Backbone interact. energy: 4.042 local terms energy: -578.604954 where: bonds (distance) C4'-P energy: -144.069 bonds (distance) P-C4' energy: -147.654 flat angles C4'-P-C4' energy: -156.044 flat angles P-C4'-P energy: -70.054 tors. eta vs tors. theta energy: -60.785 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: 10 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -1071.871453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.871453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.871453 (E_RNA) where: Base-Base interactions energy: -536.610 where: short stacking energy: -342.532 Base-Backbone interact. energy: -2.958 local terms energy: -532.302713 where: bonds (distance) C4'-P energy: -159.786 bonds (distance) P-C4' energy: -152.450 flat angles C4'-P-C4' energy: -132.826 flat angles P-C4'-P energy: -66.145 tors. eta vs tors. theta energy: -21.095 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: 8, replica: 6 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -906.534256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.534256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.534256 (E_RNA) where: Base-Base interactions energy: -433.463 where: short stacking energy: -317.448 Base-Backbone interact. energy: -3.781 local terms energy: -469.289815 where: bonds (distance) C4'-P energy: -129.165 bonds (distance) P-C4' energy: -119.501 flat angles C4'-P-C4' energy: -135.856 flat angles P-C4'-P energy: -45.409 tors. eta vs tors. theta energy: -39.360 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: 9, replica: 9 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -785.200582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.200582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.200582 (E_RNA) where: Base-Base interactions energy: -355.749 where: short stacking energy: -226.919 Base-Backbone interact. energy: 2.317 local terms energy: -431.767879 where: bonds (distance) C4'-P energy: -144.147 bonds (distance) P-C4' energy: -134.775 flat angles C4'-P-C4' energy: -104.446 flat angles P-C4'-P energy: -52.016 tors. eta vs tors. theta energy: 3.617 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: 10, replica: 8 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -757.543395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.543395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.543395 (E_RNA) where: Base-Base interactions energy: -327.252 where: short stacking energy: -192.875 Base-Backbone interact. energy: 4.910 local terms energy: -435.201575 where: bonds (distance) C4'-P energy: -133.256 bonds (distance) P-C4' energy: -120.502 flat angles C4'-P-C4' energy: -136.090 flat angles P-C4'-P energy: -68.358 tors. eta vs tors. theta energy: 23.005 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: 1, replica: 5 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1777.790744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.790744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.790744 (E_RNA) where: Base-Base interactions energy: -997.825 where: short stacking energy: -633.527 Base-Backbone interact. energy: -1.595 local terms energy: -778.370408 where: bonds (distance) C4'-P energy: -178.268 bonds (distance) P-C4' energy: -155.439 flat angles C4'-P-C4' energy: -170.493 flat angles P-C4'-P energy: -115.259 tors. eta vs tors. theta energy: -158.911 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: 13 Temperature: 0.950000 Total energy: -1745.687562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.687562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.687562 (E_RNA) where: Base-Base interactions energy: -1030.828 where: short stacking energy: -575.503 Base-Backbone interact. energy: -0.288 local terms energy: -714.571096 where: bonds (distance) C4'-P energy: -159.215 bonds (distance) P-C4' energy: -152.767 flat angles C4'-P-C4' energy: -151.374 flat angles P-C4'-P energy: -122.319 tors. eta vs tors. theta energy: -128.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1501.370369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.370369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.370369 (E_RNA) where: Base-Base interactions energy: -811.178 where: short stacking energy: -569.617 Base-Backbone interact. energy: -3.088 local terms energy: -687.104405 where: bonds (distance) C4'-P energy: -147.451 bonds (distance) P-C4' energy: -166.155 flat angles C4'-P-C4' energy: -158.793 flat angles P-C4'-P energy: -93.159 tors. eta vs tors. theta energy: -121.548 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: 4, replica: 7 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1480.610023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.610023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.610023 (E_RNA) where: Base-Base interactions energy: -801.755 where: short stacking energy: -533.155 Base-Backbone interact. energy: 0.349 local terms energy: -679.203969 where: bonds (distance) C4'-P energy: -144.369 bonds (distance) P-C4' energy: -173.803 flat angles C4'-P-C4' energy: -137.338 flat angles P-C4'-P energy: -103.159 tors. eta vs tors. theta energy: -120.535 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: 5, replica: 2 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -1327.669183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.669183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.669183 (E_RNA) where: Base-Base interactions energy: -733.840 where: short stacking energy: -448.625 Base-Backbone interact. energy: 0.868 local terms energy: -594.697304 where: bonds (distance) C4'-P energy: -128.490 bonds (distance) P-C4' energy: -142.886 flat angles C4'-P-C4' energy: -146.730 flat angles P-C4'-P energy: -93.188 tors. eta vs tors. theta energy: -83.404 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: 6, replica: 4 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -1126.023811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.023811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.023811 (E_RNA) where: Base-Base interactions energy: -574.878 where: short stacking energy: -345.744 Base-Backbone interact. energy: -2.166 local terms energy: -548.979596 where: bonds (distance) C4'-P energy: -142.646 bonds (distance) P-C4' energy: -149.819 flat angles C4'-P-C4' energy: -158.256 flat angles P-C4'-P energy: -85.870 tors. eta vs tors. theta energy: -12.388 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: 10 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -1208.674633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.674633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.674633 (E_RNA) where: Base-Base interactions energy: -667.943 where: short stacking energy: -390.870 Base-Backbone interact. energy: 0.405 local terms energy: -541.136885 where: bonds (distance) C4'-P energy: -133.512 bonds (distance) P-C4' energy: -124.916 flat angles C4'-P-C4' energy: -115.599 flat angles P-C4'-P energy: -91.867 tors. eta vs tors. theta energy: -75.243 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: 8, replica: 9 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -897.295393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.295393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.295393 (E_RNA) where: Base-Base interactions energy: -443.052 where: short stacking energy: -288.644 Base-Backbone interact. energy: -2.510 local terms energy: -451.733803 where: bonds (distance) C4'-P energy: -122.795 bonds (distance) P-C4' energy: -136.717 flat angles C4'-P-C4' energy: -107.316 flat angles P-C4'-P energy: -78.046 tors. eta vs tors. theta energy: -6.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -811.466556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.466556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.466556 (E_RNA) where: Base-Base interactions energy: -357.953 where: short stacking energy: -256.182 Base-Backbone interact. energy: 2.971 local terms energy: -456.484091 where: bonds (distance) C4'-P energy: -139.416 bonds (distance) P-C4' energy: -125.779 flat angles C4'-P-C4' energy: -111.442 flat angles P-C4'-P energy: -69.610 tors. eta vs tors. theta energy: -10.237 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: 10, replica: 8 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -736.103068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.103068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.103068 (E_RNA) where: Base-Base interactions energy: -333.491 where: short stacking energy: -207.821 Base-Backbone interact. energy: 6.129 local terms energy: -408.740530 where: bonds (distance) C4'-P energy: -139.090 bonds (distance) P-C4' energy: -150.979 flat angles C4'-P-C4' energy: -94.360 flat angles P-C4'-P energy: -57.032 tors. eta vs tors. theta energy: 32.721 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: 3 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1949.910324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.910324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.910324 (E_RNA) where: Base-Base interactions energy: -1199.388 where: short stacking energy: -678.396 Base-Backbone interact. energy: -3.248 local terms energy: -747.273794 where: bonds (distance) C4'-P energy: -151.926 bonds (distance) P-C4' energy: -157.377 flat angles C4'-P-C4' energy: -173.532 flat angles P-C4'-P energy: -104.951 tors. eta vs tors. theta energy: -159.488 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: 5 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1714.667321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.667321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.667321 (E_RNA) where: Base-Base interactions energy: -993.959 where: short stacking energy: -614.884 Base-Backbone interact. energy: -1.830 local terms energy: -718.878487 where: bonds (distance) C4'-P energy: -153.650 bonds (distance) P-C4' energy: -148.755 flat angles C4'-P-C4' energy: -175.486 flat angles P-C4'-P energy: -100.767 tors. eta vs tors. theta energy: -140.221 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: 3, replica: 1 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1518.915432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.915432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.915432 (E_RNA) where: Base-Base interactions energy: -835.614 where: short stacking energy: -524.897 Base-Backbone interact. energy: -3.481 local terms energy: -679.819614 where: bonds (distance) C4'-P energy: -154.217 bonds (distance) P-C4' energy: -163.082 flat angles C4'-P-C4' energy: -146.757 flat angles P-C4'-P energy: -101.161 tors. eta vs tors. theta energy: -114.603 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: 7 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1524.376912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.376912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.376912 (E_RNA) where: Base-Base interactions energy: -892.452 where: short stacking energy: -508.389 Base-Backbone interact. energy: 2.537 local terms energy: -634.462549 where: bonds (distance) C4'-P energy: -149.292 bonds (distance) P-C4' energy: -152.785 flat angles C4'-P-C4' energy: -145.159 flat angles P-C4'-P energy: -89.859 tors. eta vs tors. theta energy: -97.369 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: 5, replica: 2 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1412.721618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.721618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.721618 (E_RNA) where: Base-Base interactions energy: -800.619 where: short stacking energy: -445.596 Base-Backbone interact. energy: -3.964 local terms energy: -608.138578 where: bonds (distance) C4'-P energy: -152.063 bonds (distance) P-C4' energy: -144.066 flat angles C4'-P-C4' energy: -138.772 flat angles P-C4'-P energy: -96.675 tors. eta vs tors. theta energy: -76.562 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: 4 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -1160.863455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.863455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.863455 (E_RNA) where: Base-Base interactions energy: -578.869 where: short stacking energy: -387.667 Base-Backbone interact. energy: 0.220 local terms energy: -582.214024 where: bonds (distance) C4'-P energy: -133.110 bonds (distance) P-C4' energy: -141.012 flat angles C4'-P-C4' energy: -152.396 flat angles P-C4'-P energy: -95.036 tors. eta vs tors. theta energy: -60.659 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: 10 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -1270.797854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.797854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.797854 (E_RNA) where: Base-Base interactions energy: -733.271 where: short stacking energy: -402.358 Base-Backbone interact. energy: -0.911 local terms energy: -536.616104 where: bonds (distance) C4'-P energy: -126.802 bonds (distance) P-C4' energy: -145.875 flat angles C4'-P-C4' energy: -135.118 flat angles P-C4'-P energy: -79.618 tors. eta vs tors. theta energy: -49.203 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: 8, replica: 9 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -948.346609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.346609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.346609 (E_RNA) where: Base-Base interactions energy: -480.492 where: short stacking energy: -286.600 Base-Backbone interact. energy: -3.147 local terms energy: -464.708094 where: bonds (distance) C4'-P energy: -118.812 bonds (distance) P-C4' energy: -150.744 flat angles C4'-P-C4' energy: -120.444 flat angles P-C4'-P energy: -53.070 tors. eta vs tors. theta energy: -21.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -786.909380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.909380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.909380 (E_RNA) where: Base-Base interactions energy: -361.026 where: short stacking energy: -235.633 Base-Backbone interact. energy: 3.203 local terms energy: -429.085827 where: bonds (distance) C4'-P energy: -132.245 bonds (distance) P-C4' energy: -131.821 flat angles C4'-P-C4' energy: -105.427 flat angles P-C4'-P energy: -71.054 tors. eta vs tors. theta energy: 11.461 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: 14 Temperature: 1.350000 Total energy: -735.757519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.757519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.757519 (E_RNA) where: Base-Base interactions energy: -327.871 where: short stacking energy: -230.713 Base-Backbone interact. energy: 6.441 local terms energy: -414.327427 where: bonds (distance) C4'-P energy: -140.583 bonds (distance) P-C4' energy: -124.203 flat angles C4'-P-C4' energy: -95.621 flat angles P-C4'-P energy: -61.710 tors. eta vs tors. theta energy: 7.789 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: 1, replica: 3 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1972.527147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.527147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.527147 (E_RNA) where: Base-Base interactions energy: -1226.862 where: short stacking energy: -636.220 Base-Backbone interact. energy: -3.473 local terms energy: -742.191839 where: bonds (distance) C4'-P energy: -164.506 bonds (distance) P-C4' energy: -155.192 flat angles C4'-P-C4' energy: -175.785 flat angles P-C4'-P energy: -108.851 tors. eta vs tors. theta energy: -137.858 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: 2, replica: 5 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1788.081957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.081957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.081957 (E_RNA) where: Base-Base interactions energy: -1053.783 where: short stacking energy: -599.585 Base-Backbone interact. energy: -1.911 local terms energy: -732.388220 where: bonds (distance) C4'-P energy: -159.708 bonds (distance) P-C4' energy: -173.231 flat angles C4'-P-C4' energy: -165.977 flat angles P-C4'-P energy: -101.077 tors. eta vs tors. theta energy: -132.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1518.168144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.168144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.168144 (E_RNA) where: Base-Base interactions energy: -827.683 where: short stacking energy: -520.371 Base-Backbone interact. energy: 0.151 local terms energy: -690.635749 where: bonds (distance) C4'-P energy: -152.756 bonds (distance) P-C4' energy: -161.556 flat angles C4'-P-C4' energy: -167.499 flat angles P-C4'-P energy: -98.825 tors. eta vs tors. theta energy: -110.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1579.977816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.977816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.977816 (E_RNA) where: Base-Base interactions energy: -931.451 where: short stacking energy: -509.371 Base-Backbone interact. energy: 0.346 local terms energy: -648.872302 where: bonds (distance) C4'-P energy: -143.833 bonds (distance) P-C4' energy: -140.806 flat angles C4'-P-C4' energy: -153.834 flat angles P-C4'-P energy: -102.342 tors. eta vs tors. theta energy: -108.057 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: 5, replica: 2 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1481.135829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.135829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.135829 (E_RNA) where: Base-Base interactions energy: -901.094 where: short stacking energy: -492.158 Base-Backbone interact. energy: -3.502 local terms energy: -576.539147 where: bonds (distance) C4'-P energy: -125.826 bonds (distance) P-C4' energy: -142.487 flat angles C4'-P-C4' energy: -130.196 flat angles P-C4'-P energy: -86.625 tors. eta vs tors. theta energy: -91.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -1440.944576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.944576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.944576 (E_RNA) where: Base-Base interactions energy: -829.741 where: short stacking energy: -478.951 Base-Backbone interact. energy: 1.056 local terms energy: -612.259634 where: bonds (distance) C4'-P energy: -138.541 bonds (distance) P-C4' energy: -148.470 flat angles C4'-P-C4' energy: -156.619 flat angles P-C4'-P energy: -72.791 tors. eta vs tors. theta energy: -95.840 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: 7, replica: 4 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -1081.378012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.378012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.378012 (E_RNA) where: Base-Base interactions energy: -521.157 where: short stacking energy: -348.192 Base-Backbone interact. energy: -0.487 local terms energy: -559.733817 where: bonds (distance) C4'-P energy: -146.260 bonds (distance) P-C4' energy: -132.942 flat angles C4'-P-C4' energy: -131.933 flat angles P-C4'-P energy: -75.923 tors. eta vs tors. theta energy: -72.675 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: 9 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -971.056397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.056397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.056397 (E_RNA) where: Base-Base interactions energy: -508.550 where: short stacking energy: -317.891 Base-Backbone interact. energy: 8.247 local terms energy: -470.753257 where: bonds (distance) C4'-P energy: -115.293 bonds (distance) P-C4' energy: -121.136 flat angles C4'-P-C4' energy: -142.281 flat angles P-C4'-P energy: -66.997 tors. eta vs tors. theta energy: -25.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -772.342552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.342552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.342552 (E_RNA) where: Base-Base interactions energy: -330.750 where: short stacking energy: -250.972 Base-Backbone interact. energy: 0.159 local terms energy: -441.751191 where: bonds (distance) C4'-P energy: -122.078 bonds (distance) P-C4' energy: -132.563 flat angles C4'-P-C4' energy: -126.244 flat angles P-C4'-P energy: -54.385 tors. eta vs tors. theta energy: -6.481 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: 6 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -748.360193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.360193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.360193 (E_RNA) where: Base-Base interactions energy: -326.953 where: short stacking energy: -225.491 Base-Backbone interact. energy: 2.868 local terms energy: -424.275180 where: bonds (distance) C4'-P energy: -106.373 bonds (distance) P-C4' energy: -129.196 flat angles C4'-P-C4' energy: -111.367 flat angles P-C4'-P energy: -86.076 tors. eta vs tors. theta energy: 8.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1962.777907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.777907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.777907 (E_RNA) where: Base-Base interactions energy: -1210.489 where: short stacking energy: -643.097 Base-Backbone interact. energy: 1.509 local terms energy: -753.797864 where: bonds (distance) C4'-P energy: -159.398 bonds (distance) P-C4' energy: -156.214 flat angles C4'-P-C4' energy: -176.627 flat angles P-C4'-P energy: -108.242 tors. eta vs tors. theta energy: -153.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1715.303400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.303400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.303400 (E_RNA) where: Base-Base interactions energy: -1006.801 where: short stacking energy: -600.931 Base-Backbone interact. energy: -3.484 local terms energy: -705.018280 where: bonds (distance) C4'-P energy: -153.934 bonds (distance) P-C4' energy: -154.970 flat angles C4'-P-C4' energy: -173.797 flat angles P-C4'-P energy: -89.096 tors. eta vs tors. theta energy: -133.222 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: 16 Temperature: 1.000000 Total energy: -1529.556499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.556499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.556499 (E_RNA) where: Base-Base interactions energy: -895.890 where: short stacking energy: -529.986 Base-Backbone interact. energy: 0.762 local terms energy: -634.428028 where: bonds (distance) C4'-P energy: -144.009 bonds (distance) P-C4' energy: -168.488 flat angles C4'-P-C4' energy: -146.094 flat angles P-C4'-P energy: -77.392 tors. eta vs tors. theta energy: -98.445 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: 7 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1570.302443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.302443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.302443 (E_RNA) where: Base-Base interactions energy: -870.537 where: short stacking energy: -513.352 Base-Backbone interact. energy: -3.793 local terms energy: -695.971724 where: bonds (distance) C4'-P energy: -142.932 bonds (distance) P-C4' energy: -161.264 flat angles C4'-P-C4' energy: -168.691 flat angles P-C4'-P energy: -109.968 tors. eta vs tors. theta energy: -113.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1537.149236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.149236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.149236 (E_RNA) where: Base-Base interactions energy: -916.617 where: short stacking energy: -511.194 Base-Backbone interact. energy: -7.184 local terms energy: -613.347886 where: bonds (distance) C4'-P energy: -116.980 bonds (distance) P-C4' energy: -142.707 flat angles C4'-P-C4' energy: -160.449 flat angles P-C4'-P energy: -86.602 tors. eta vs tors. theta energy: -106.609 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: 2 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -1334.730597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.730597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.730597 (E_RNA) where: Base-Base interactions energy: -785.133 where: short stacking energy: -406.701 Base-Backbone interact. energy: 7.911 local terms energy: -557.509036 where: bonds (distance) C4'-P energy: -135.427 bonds (distance) P-C4' energy: -155.746 flat angles C4'-P-C4' energy: -131.808 flat angles P-C4'-P energy: -74.223 tors. eta vs tors. theta energy: -60.304 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: 4 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -1084.849192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.849192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.849192 (E_RNA) where: Base-Base interactions energy: -578.796 where: short stacking energy: -327.558 Base-Backbone interact. energy: 2.104 local terms energy: -508.156926 where: bonds (distance) C4'-P energy: -138.585 bonds (distance) P-C4' energy: -137.998 flat angles C4'-P-C4' energy: -118.241 flat angles P-C4'-P energy: -101.739 tors. eta vs tors. theta energy: -11.594 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: 8, replica: 9 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -1056.503106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.503106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.503106 (E_RNA) where: Base-Base interactions energy: -554.583 where: short stacking energy: -327.606 Base-Backbone interact. energy: -1.320 local terms energy: -500.600386 where: bonds (distance) C4'-P energy: -134.589 bonds (distance) P-C4' energy: -146.263 flat angles C4'-P-C4' energy: -125.499 flat angles P-C4'-P energy: -65.446 tors. eta vs tors. theta energy: -28.803 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: 9, replica: 8 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -843.291210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.291210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.291210 (E_RNA) where: Base-Base interactions energy: -422.581 where: short stacking energy: -236.317 Base-Backbone interact. energy: 0.361 local terms energy: -421.071262 where: bonds (distance) C4'-P energy: -125.301 bonds (distance) P-C4' energy: -126.282 flat angles C4'-P-C4' energy: -95.952 flat angles P-C4'-P energy: -65.588 tors. eta vs tors. theta energy: -7.949 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: 10, replica: 6 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -790.281029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.281029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.281029 (E_RNA) where: Base-Base interactions energy: -346.454 where: short stacking energy: -206.940 Base-Backbone interact. energy: 3.379 local terms energy: -447.206230 where: bonds (distance) C4'-P energy: -143.038 bonds (distance) P-C4' energy: -136.507 flat angles C4'-P-C4' energy: -106.270 flat angles P-C4'-P energy: -59.140 tors. eta vs tors. theta energy: -2.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1974.460325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.460325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.460325 (E_RNA) where: Base-Base interactions energy: -1229.072 where: short stacking energy: -660.653 Base-Backbone interact. energy: -3.020 local terms energy: -742.368218 where: bonds (distance) C4'-P energy: -162.300 bonds (distance) P-C4' energy: -165.406 flat angles C4'-P-C4' energy: -157.930 flat angles P-C4'-P energy: -104.399 tors. eta vs tors. theta energy: -152.332 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: 2, replica: 5 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1759.635339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.635339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.635339 (E_RNA) where: Base-Base interactions energy: -1007.578 where: short stacking energy: -602.060 Base-Backbone interact. energy: -6.793 local terms energy: -745.264638 where: bonds (distance) C4'-P energy: -164.077 bonds (distance) P-C4' energy: -163.425 flat angles C4'-P-C4' energy: -176.623 flat angles P-C4'-P energy: -106.206 tors. eta vs tors. theta energy: -134.934 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: 1 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1558.109193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.109193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.109193 (E_RNA) where: Base-Base interactions energy: -880.910 where: short stacking energy: -521.972 Base-Backbone interact. energy: -1.813 local terms energy: -675.385494 where: bonds (distance) C4'-P energy: -157.648 bonds (distance) P-C4' energy: -146.614 flat angles C4'-P-C4' energy: -170.256 flat angles P-C4'-P energy: -101.512 tors. eta vs tors. theta energy: -99.355 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: 10 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1695.130939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.130939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.130939 (E_RNA) where: Base-Base interactions energy: -1044.657 where: short stacking energy: -553.497 Base-Backbone interact. energy: -5.095 local terms energy: -645.378485 where: bonds (distance) C4'-P energy: -155.120 bonds (distance) P-C4' energy: -130.469 flat angles C4'-P-C4' energy: -144.320 flat angles P-C4'-P energy: -93.000 tors. eta vs tors. theta energy: -122.468 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: 5, replica: 7 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1544.476828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.476828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.476828 (E_RNA) where: Base-Base interactions energy: -902.160 where: short stacking energy: -462.797 Base-Backbone interact. energy: -3.092 local terms energy: -639.224585 where: bonds (distance) C4'-P energy: -137.346 bonds (distance) P-C4' energy: -150.227 flat angles C4'-P-C4' energy: -147.517 flat angles P-C4'-P energy: -103.442 tors. eta vs tors. theta energy: -100.693 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: 6, replica: 2 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -1340.615956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.615956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.615956 (E_RNA) where: Base-Base interactions energy: -766.884 where: short stacking energy: -418.323 Base-Backbone interact. energy: -0.793 local terms energy: -572.938158 where: bonds (distance) C4'-P energy: -116.373 bonds (distance) P-C4' energy: -138.378 flat angles C4'-P-C4' energy: -150.366 flat angles P-C4'-P energy: -92.712 tors. eta vs tors. theta energy: -75.109 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: 7, replica: 4 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -1065.356548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.356548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.356548 (E_RNA) where: Base-Base interactions energy: -544.825 where: short stacking energy: -351.010 Base-Backbone interact. energy: -2.701 local terms energy: -517.829933 where: bonds (distance) C4'-P energy: -144.878 bonds (distance) P-C4' energy: -149.258 flat angles C4'-P-C4' energy: -127.906 flat angles P-C4'-P energy: -65.440 tors. eta vs tors. theta energy: -30.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -987.513955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.513955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.513955 (E_RNA) where: Base-Base interactions energy: -510.060 where: short stacking energy: -284.400 Base-Backbone interact. energy: -0.286 local terms energy: -477.167239 where: bonds (distance) C4'-P energy: -120.503 bonds (distance) P-C4' energy: -139.746 flat angles C4'-P-C4' energy: -144.344 flat angles P-C4'-P energy: -70.322 tors. eta vs tors. theta energy: -2.252 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: 9, replica: 9 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -912.524325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.524325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.524325 (E_RNA) where: Base-Base interactions energy: -439.163 where: short stacking energy: -257.732 Base-Backbone interact. energy: -1.258 local terms energy: -472.102391 where: bonds (distance) C4'-P energy: -114.169 bonds (distance) P-C4' energy: -158.350 flat angles C4'-P-C4' energy: -131.383 flat angles P-C4'-P energy: -63.910 tors. eta vs tors. theta energy: -4.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -690.450389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.450389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.450389 (E_RNA) where: Base-Base interactions energy: -278.412 where: short stacking energy: -203.381 Base-Backbone interact. energy: 3.730 local terms energy: -415.768415 where: bonds (distance) C4'-P energy: -150.051 bonds (distance) P-C4' energy: -108.065 flat angles C4'-P-C4' energy: -109.160 flat angles P-C4'-P energy: -59.156 tors. eta vs tors. theta energy: 10.663 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: 3 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1940.062698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.062698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.062698 (E_RNA) where: Base-Base interactions energy: -1179.375 where: short stacking energy: -646.474 Base-Backbone interact. energy: 0.719 local terms energy: -761.406587 where: bonds (distance) C4'-P energy: -159.011 bonds (distance) P-C4' energy: -178.305 flat angles C4'-P-C4' energy: -165.841 flat angles P-C4'-P energy: -107.205 tors. eta vs tors. theta energy: -151.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1767.999774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.999774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.999774 (E_RNA) where: Base-Base interactions energy: -1011.276 where: short stacking energy: -621.942 Base-Backbone interact. energy: -2.348 local terms energy: -754.375809 where: bonds (distance) C4'-P energy: -156.988 bonds (distance) P-C4' energy: -171.483 flat angles C4'-P-C4' energy: -165.293 flat angles P-C4'-P energy: -116.744 tors. eta vs tors. theta energy: -143.867 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: 3, replica: 10 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1910.106893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.106893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.106893 (E_RNA) where: Base-Base interactions energy: -1182.800 where: short stacking energy: -595.998 Base-Backbone interact. energy: -3.579 local terms energy: -723.727886 where: bonds (distance) C4'-P energy: -152.941 bonds (distance) P-C4' energy: -161.894 flat angles C4'-P-C4' energy: -169.579 flat angles P-C4'-P energy: -106.807 tors. eta vs tors. theta energy: -132.507 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: 1 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1408.637770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.637770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.637770 (E_RNA) where: Base-Base interactions energy: -789.220 where: short stacking energy: -467.845 Base-Backbone interact. energy: 3.495 local terms energy: -622.912853 where: bonds (distance) C4'-P energy: -145.814 bonds (distance) P-C4' energy: -159.332 flat angles C4'-P-C4' energy: -150.671 flat angles P-C4'-P energy: -75.074 tors. eta vs tors. theta energy: -92.021 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: 5, replica: 7 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1586.923619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.923619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.923619 (E_RNA) where: Base-Base interactions energy: -945.010 where: short stacking energy: -500.385 Base-Backbone interact. energy: -4.924 local terms energy: -636.990014 where: bonds (distance) C4'-P energy: -149.403 bonds (distance) P-C4' energy: -151.346 flat angles C4'-P-C4' energy: -150.398 flat angles P-C4'-P energy: -85.480 tors. eta vs tors. theta energy: -100.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1353.943372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.943372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.943372 (E_RNA) where: Base-Base interactions energy: -760.129 where: short stacking energy: -384.079 Base-Backbone interact. energy: -2.896 local terms energy: -590.917765 where: bonds (distance) C4'-P energy: -153.477 bonds (distance) P-C4' energy: -147.020 flat angles C4'-P-C4' energy: -150.766 flat angles P-C4'-P energy: -85.591 tors. eta vs tors. theta energy: -54.064 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: 7, replica: 4 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -1064.348614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.348614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.348614 (E_RNA) where: Base-Base interactions energy: -560.198 where: short stacking energy: -328.675 Base-Backbone interact. energy: 0.503 local terms energy: -504.653659 where: bonds (distance) C4'-P energy: -144.395 bonds (distance) P-C4' energy: -133.263 flat angles C4'-P-C4' energy: -126.178 flat angles P-C4'-P energy: -72.735 tors. eta vs tors. theta energy: -28.082 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: 8 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -1121.522342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.522342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.522342 (E_RNA) where: Base-Base interactions energy: -610.221 where: short stacking energy: -341.905 Base-Backbone interact. energy: 9.515 local terms energy: -520.816653 where: bonds (distance) C4'-P energy: -121.692 bonds (distance) P-C4' energy: -140.589 flat angles C4'-P-C4' energy: -129.437 flat angles P-C4'-P energy: -97.696 tors. eta vs tors. theta energy: -31.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -890.641536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.641536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.641536 (E_RNA) where: Base-Base interactions energy: -462.085 where: short stacking energy: -284.888 Base-Backbone interact. energy: 8.602 local terms energy: -437.158587 where: bonds (distance) C4'-P energy: -130.182 bonds (distance) P-C4' energy: -133.102 flat angles C4'-P-C4' energy: -112.521 flat angles P-C4'-P energy: -52.803 tors. eta vs tors. theta energy: -8.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -703.173164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.173164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.173164 (E_RNA) where: Base-Base interactions energy: -284.371 where: short stacking energy: -233.834 Base-Backbone interact. energy: -3.424 local terms energy: -415.378451 where: bonds (distance) C4'-P energy: -123.355 bonds (distance) P-C4' energy: -125.674 flat angles C4'-P-C4' energy: -113.293 flat angles P-C4'-P energy: -58.105 tors. eta vs tors. theta energy: 5.049 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: 1, replica: 3 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1930.834995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.834995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.834995 (E_RNA) where: Base-Base interactions energy: -1174.258 where: short stacking energy: -612.168 Base-Backbone interact. energy: -2.970 local terms energy: -753.607121 where: bonds (distance) C4'-P energy: -171.663 bonds (distance) P-C4' energy: -174.744 flat angles C4'-P-C4' energy: -164.456 flat angles P-C4'-P energy: -104.243 tors. eta vs tors. theta energy: -138.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -2083.732397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.732397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.732397 (E_RNA) where: Base-Base interactions energy: -1328.621 where: short stacking energy: -645.953 Base-Backbone interact. energy: -1.545 local terms energy: -753.566734 where: bonds (distance) C4'-P energy: -167.152 bonds (distance) P-C4' energy: -160.529 flat angles C4'-P-C4' energy: -177.159 flat angles P-C4'-P energy: -113.112 tors. eta vs tors. theta energy: -135.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1701.159456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.159456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.159456 (E_RNA) where: Base-Base interactions energy: -1001.262 where: short stacking energy: -572.298 Base-Backbone interact. energy: -0.574 local terms energy: -699.323459 where: bonds (distance) C4'-P energy: -159.196 bonds (distance) P-C4' energy: -160.148 flat angles C4'-P-C4' energy: -163.681 flat angles P-C4'-P energy: -81.944 tors. eta vs tors. theta energy: -134.355 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: 7 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1752.856281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.856281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.856281 (E_RNA) where: Base-Base interactions energy: -1026.710 where: short stacking energy: -561.175 Base-Backbone interact. energy: -1.769 local terms energy: -724.376616 where: bonds (distance) C4'-P energy: -155.695 bonds (distance) P-C4' energy: -160.507 flat angles C4'-P-C4' energy: -159.836 flat angles P-C4'-P energy: -108.942 tors. eta vs tors. theta energy: -139.396 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: 1 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1377.139706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.139706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.139706 (E_RNA) where: Base-Base interactions energy: -743.588 where: short stacking energy: -414.988 Base-Backbone interact. energy: -0.173 local terms energy: -633.379066 where: bonds (distance) C4'-P energy: -140.004 bonds (distance) P-C4' energy: -149.385 flat angles C4'-P-C4' energy: -158.602 flat angles P-C4'-P energy: -98.169 tors. eta vs tors. theta energy: -87.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1426.389507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.389507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.389507 (E_RNA) where: Base-Base interactions energy: -871.094 where: short stacking energy: -480.432 Base-Backbone interact. energy: 0.492 local terms energy: -555.787282 where: bonds (distance) C4'-P energy: -121.821 bonds (distance) P-C4' energy: -138.220 flat angles C4'-P-C4' energy: -135.274 flat angles P-C4'-P energy: -70.662 tors. eta vs tors. theta energy: -89.810 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: 4 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -1151.296942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.296942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.296942 (E_RNA) where: Base-Base interactions energy: -617.844 where: short stacking energy: -360.269 Base-Backbone interact. energy: 2.096 local terms energy: -535.548436 where: bonds (distance) C4'-P energy: -150.935 bonds (distance) P-C4' energy: -152.123 flat angles C4'-P-C4' energy: -134.312 flat angles P-C4'-P energy: -60.378 tors. eta vs tors. theta energy: -37.800 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: 8 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -1162.954180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.954180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.954180 (E_RNA) where: Base-Base interactions energy: -646.039 where: short stacking energy: -374.613 Base-Backbone interact. energy: -1.475 local terms energy: -515.440243 where: bonds (distance) C4'-P energy: -134.364 bonds (distance) P-C4' energy: -121.129 flat angles C4'-P-C4' energy: -132.961 flat angles P-C4'-P energy: -74.619 tors. eta vs tors. theta energy: -52.367 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: 9 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -827.799956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.799956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.799956 (E_RNA) where: Base-Base interactions energy: -383.780 where: short stacking energy: -257.867 Base-Backbone interact. energy: 3.998 local terms energy: -448.018675 where: bonds (distance) C4'-P energy: -109.886 bonds (distance) P-C4' energy: -150.467 flat angles C4'-P-C4' energy: -131.964 flat angles P-C4'-P energy: -69.919 tors. eta vs tors. theta energy: 14.217 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: 6 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -645.633419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.633419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.633419 (E_RNA) where: Base-Base interactions energy: -226.322 where: short stacking energy: -180.635 Base-Backbone interact. energy: -1.319 local terms energy: -417.991925 where: bonds (distance) C4'-P energy: -135.188 bonds (distance) P-C4' energy: -135.412 flat angles C4'-P-C4' energy: -120.641 flat angles P-C4'-P energy: -52.714 tors. eta vs tors. theta energy: 25.964 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: 10 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -2228.139679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.139679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.139679 (E_RNA) where: Base-Base interactions energy: -1428.022 where: short stacking energy: -743.637 Base-Backbone interact. energy: -3.684 local terms energy: -796.433746 where: bonds (distance) C4'-P energy: -157.438 bonds (distance) P-C4' energy: -180.732 flat angles C4'-P-C4' energy: -165.544 flat angles P-C4'-P energy: -104.532 tors. eta vs tors. theta energy: -188.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1847.235078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.235078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.235078 (E_RNA) where: Base-Base interactions energy: -1122.740 where: short stacking energy: -589.650 Base-Backbone interact. energy: -1.849 local terms energy: -722.646335 where: bonds (distance) C4'-P energy: -164.594 bonds (distance) P-C4' energy: -160.471 flat angles C4'-P-C4' energy: -158.998 flat angles P-C4'-P energy: -112.565 tors. eta vs tors. theta energy: -126.019 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: 7 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1833.284302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.284302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.284302 (E_RNA) where: Base-Base interactions energy: -1145.052 where: short stacking energy: -588.667 Base-Backbone interact. energy: -5.245 local terms energy: -682.987064 where: bonds (distance) C4'-P energy: -145.885 bonds (distance) P-C4' energy: -150.921 flat angles C4'-P-C4' energy: -163.155 flat angles P-C4'-P energy: -90.949 tors. eta vs tors. theta energy: -132.077 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: 5 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1534.434175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.434175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.434175 (E_RNA) where: Base-Base interactions energy: -905.103 where: short stacking energy: -515.843 Base-Backbone interact. energy: -1.384 local terms energy: -627.947098 where: bonds (distance) C4'-P energy: -155.654 bonds (distance) P-C4' energy: -149.293 flat angles C4'-P-C4' energy: -146.385 flat angles P-C4'-P energy: -86.316 tors. eta vs tors. theta energy: -90.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1478.291074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.291074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.291074 (E_RNA) where: Base-Base interactions energy: -851.632 where: short stacking energy: -456.123 Base-Backbone interact. energy: -0.263 local terms energy: -626.396475 where: bonds (distance) C4'-P energy: -129.704 bonds (distance) P-C4' energy: -155.020 flat angles C4'-P-C4' energy: -162.154 flat angles P-C4'-P energy: -81.266 tors. eta vs tors. theta energy: -98.252 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: 6, replica: 1 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1258.352250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.352250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.352250 (E_RNA) where: Base-Base interactions energy: -689.560 where: short stacking energy: -388.899 Base-Backbone interact. energy: -0.582 local terms energy: -568.210155 where: bonds (distance) C4'-P energy: -152.244 bonds (distance) P-C4' energy: -133.838 flat angles C4'-P-C4' energy: -134.335 flat angles P-C4'-P energy: -83.205 tors. eta vs tors. theta energy: -64.589 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: 7, replica: 4 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -1180.176969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.176969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.176969 (E_RNA) where: Base-Base interactions energy: -644.487 where: short stacking energy: -355.893 Base-Backbone interact. energy: 5.836 local terms energy: -541.525885 where: bonds (distance) C4'-P energy: -139.901 bonds (distance) P-C4' energy: -149.052 flat angles C4'-P-C4' energy: -130.119 flat angles P-C4'-P energy: -88.241 tors. eta vs tors. theta energy: -34.213 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: 8, replica: 8 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -1205.113921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.113921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.113921 (E_RNA) where: Base-Base interactions energy: -686.176 where: short stacking energy: -370.489 Base-Backbone interact. energy: 8.341 local terms energy: -527.278560 where: bonds (distance) C4'-P energy: -132.146 bonds (distance) P-C4' energy: -139.405 flat angles C4'-P-C4' energy: -136.798 flat angles P-C4'-P energy: -69.516 tors. eta vs tors. theta energy: -49.414 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: 9 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -943.326538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.326538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.326538 (E_RNA) where: Base-Base interactions energy: -498.971 where: short stacking energy: -297.093 Base-Backbone interact. energy: 2.421 local terms energy: -446.776508 where: bonds (distance) C4'-P energy: -122.700 bonds (distance) P-C4' energy: -138.075 flat angles C4'-P-C4' energy: -105.450 flat angles P-C4'-P energy: -78.001 tors. eta vs tors. theta energy: -2.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -678.856016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.856016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.856016 (E_RNA) where: Base-Base interactions energy: -265.647 where: short stacking energy: -202.109 Base-Backbone interact. energy: -2.185 local terms energy: -411.023441 where: bonds (distance) C4'-P energy: -124.276 bonds (distance) P-C4' energy: -118.350 flat angles C4'-P-C4' energy: -106.297 flat angles P-C4'-P energy: -64.574 tors. eta vs tors. theta energy: 2.473 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: 1, replica: 10 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -2264.757756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.757756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.757756 (E_RNA) where: Base-Base interactions energy: -1463.402 where: short stacking energy: -737.290 Base-Backbone interact. energy: -0.422 local terms energy: -800.933674 where: bonds (distance) C4'-P energy: -183.321 bonds (distance) P-C4' energy: -154.413 flat angles C4'-P-C4' energy: -178.743 flat angles P-C4'-P energy: -105.345 tors. eta vs tors. theta energy: -179.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1997.699509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.699509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.699509 (E_RNA) where: Base-Base interactions energy: -1248.725 where: short stacking energy: -647.190 Base-Backbone interact. energy: -2.127 local terms energy: -746.848106 where: bonds (distance) C4'-P energy: -155.065 bonds (distance) P-C4' energy: -167.318 flat angles C4'-P-C4' energy: -171.982 flat angles P-C4'-P energy: -101.881 tors. eta vs tors. theta energy: -150.602 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: 3, replica: 3 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1756.990150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.990150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.990150 (E_RNA) where: Base-Base interactions energy: -1066.706 where: short stacking energy: -543.658 Base-Backbone interact. energy: -4.050 local terms energy: -686.234402 where: bonds (distance) C4'-P energy: -155.831 bonds (distance) P-C4' energy: -155.665 flat angles C4'-P-C4' energy: -161.668 flat angles P-C4'-P energy: -101.767 tors. eta vs tors. theta energy: -111.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1520.192532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.192532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.192532 (E_RNA) where: Base-Base interactions energy: -875.514 where: short stacking energy: -511.204 Base-Backbone interact. energy: -2.185 local terms energy: -642.493539 where: bonds (distance) C4'-P energy: -135.708 bonds (distance) P-C4' energy: -143.892 flat angles C4'-P-C4' energy: -152.782 flat angles P-C4'-P energy: -101.171 tors. eta vs tors. theta energy: -108.940 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: 5, replica: 2 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1550.191495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.191495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.191495 (E_RNA) where: Base-Base interactions energy: -913.471 where: short stacking energy: -502.538 Base-Backbone interact. energy: -3.007 local terms energy: -633.713176 where: bonds (distance) C4'-P energy: -118.494 bonds (distance) P-C4' energy: -140.222 flat angles C4'-P-C4' energy: -157.740 flat angles P-C4'-P energy: -106.211 tors. eta vs tors. theta energy: -111.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1265.739945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.739945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.739945 (E_RNA) where: Base-Base interactions energy: -689.866 where: short stacking energy: -400.233 Base-Backbone interact. energy: 2.912 local terms energy: -578.785930 where: bonds (distance) C4'-P energy: -164.893 bonds (distance) P-C4' energy: -134.364 flat angles C4'-P-C4' energy: -150.522 flat angles P-C4'-P energy: -68.713 tors. eta vs tors. theta energy: -60.294 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: 4 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -1186.098940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.098940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.098940 (E_RNA) where: Base-Base interactions energy: -656.845 where: short stacking energy: -360.052 Base-Backbone interact. energy: -0.305 local terms energy: -528.949000 where: bonds (distance) C4'-P energy: -150.365 bonds (distance) P-C4' energy: -111.894 flat angles C4'-P-C4' energy: -110.910 flat angles P-C4'-P energy: -90.319 tors. eta vs tors. theta energy: -65.461 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: 8 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -1143.840686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.840686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.840686 (E_RNA) where: Base-Base interactions energy: -619.474 where: short stacking energy: -310.295 Base-Backbone interact. energy: -1.014 local terms energy: -523.353151 where: bonds (distance) C4'-P energy: -142.004 bonds (distance) P-C4' energy: -140.804 flat angles C4'-P-C4' energy: -121.970 flat angles P-C4'-P energy: -82.057 tors. eta vs tors. theta energy: -36.519 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: 9, replica: 9 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -946.671724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.671724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.671724 (E_RNA) where: Base-Base interactions energy: -500.997 where: short stacking energy: -278.499 Base-Backbone interact. energy: 2.397 local terms energy: -448.071954 where: bonds (distance) C4'-P energy: -147.068 bonds (distance) P-C4' energy: -127.049 flat angles C4'-P-C4' energy: -109.060 flat angles P-C4'-P energy: -63.613 tors. eta vs tors. theta energy: -1.282 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: 6 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -654.985369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.985369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.985369 (E_RNA) where: Base-Base interactions energy: -234.726 where: short stacking energy: -193.817 Base-Backbone interact. energy: 5.102 local terms energy: -425.362091 where: bonds (distance) C4'-P energy: -132.389 bonds (distance) P-C4' energy: -129.262 flat angles C4'-P-C4' energy: -137.522 flat angles P-C4'-P energy: -57.368 tors. eta vs tors. theta energy: 31.179 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: 10 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -2252.615476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.615476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.615476 (E_RNA) where: Base-Base interactions energy: -1459.904 where: short stacking energy: -699.563 Base-Backbone interact. energy: -3.014 local terms energy: -789.697319 where: bonds (distance) C4'-P energy: -154.328 bonds (distance) P-C4' energy: -169.272 flat angles C4'-P-C4' energy: -185.592 flat angles P-C4'-P energy: -119.229 tors. eta vs tors. theta energy: -161.276 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: 2, replica: 7 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -2048.045821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.045821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.045821 (E_RNA) where: Base-Base interactions energy: -1310.534 where: short stacking energy: -640.375 Base-Backbone interact. energy: -2.560 local terms energy: -734.951984 where: bonds (distance) C4'-P energy: -159.698 bonds (distance) P-C4' energy: -156.912 flat angles C4'-P-C4' energy: -161.388 flat angles P-C4'-P energy: -102.279 tors. eta vs tors. theta energy: -154.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1829.248281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.248281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.248281 (E_RNA) where: Base-Base interactions energy: -1142.498 where: short stacking energy: -608.540 Base-Backbone interact. energy: 0.386 local terms energy: -687.136771 where: bonds (distance) C4'-P energy: -147.505 bonds (distance) P-C4' energy: -142.048 flat angles C4'-P-C4' energy: -159.490 flat angles P-C4'-P energy: -91.358 tors. eta vs tors. theta energy: -146.735 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: 4, replica: 5 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1501.433550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.433550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.433550 (E_RNA) where: Base-Base interactions energy: -839.036 where: short stacking energy: -502.314 Base-Backbone interact. energy: -0.843 local terms energy: -661.553894 where: bonds (distance) C4'-P energy: -148.206 bonds (distance) P-C4' energy: -155.330 flat angles C4'-P-C4' energy: -157.021 flat angles P-C4'-P energy: -100.965 tors. eta vs tors. theta energy: -100.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1544.701656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.701656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.701656 (E_RNA) where: Base-Base interactions energy: -920.219 where: short stacking energy: -462.606 Base-Backbone interact. energy: -7.003 local terms energy: -617.479134 where: bonds (distance) C4'-P energy: -136.893 bonds (distance) P-C4' energy: -162.691 flat angles C4'-P-C4' energy: -162.751 flat angles P-C4'-P energy: -66.785 tors. eta vs tors. theta energy: -88.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1321.247096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.247096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.247096 (E_RNA) where: Base-Base interactions energy: -735.286 where: short stacking energy: -435.770 Base-Backbone interact. energy: -1.566 local terms energy: -584.394685 where: bonds (distance) C4'-P energy: -138.055 bonds (distance) P-C4' energy: -143.049 flat angles C4'-P-C4' energy: -147.567 flat angles P-C4'-P energy: -72.080 tors. eta vs tors. theta energy: -83.644 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: 7, replica: 4 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -1246.895043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.895043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.895043 (E_RNA) where: Base-Base interactions energy: -698.214 where: short stacking energy: -407.328 Base-Backbone interact. energy: -1.238 local terms energy: -547.443490 where: bonds (distance) C4'-P energy: -116.409 bonds (distance) P-C4' energy: -142.497 flat angles C4'-P-C4' energy: -141.168 flat angles P-C4'-P energy: -97.324 tors. eta vs tors. theta energy: -50.046 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: 8, replica: 8 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -1184.263877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.263877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.263877 (E_RNA) where: Base-Base interactions energy: -717.229 where: short stacking energy: -337.632 Base-Backbone interact. energy: 3.028 local terms energy: -470.062679 where: bonds (distance) C4'-P energy: -126.819 bonds (distance) P-C4' energy: -131.476 flat angles C4'-P-C4' energy: -122.673 flat angles P-C4'-P energy: -64.848 tors. eta vs tors. theta energy: -24.247 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: 9, replica: 9 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -918.134705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.134705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.134705 (E_RNA) where: Base-Base interactions energy: -456.469 where: short stacking energy: -279.215 Base-Backbone interact. energy: 0.277 local terms energy: -461.943194 where: bonds (distance) C4'-P energy: -122.854 bonds (distance) P-C4' energy: -149.923 flat angles C4'-P-C4' energy: -123.407 flat angles P-C4'-P energy: -63.931 tors. eta vs tors. theta energy: -1.828 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: 6 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -618.760208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.760208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.760208 (E_RNA) where: Base-Base interactions energy: -201.701 where: short stacking energy: -176.885 Base-Backbone interact. energy: 5.168 local terms energy: -422.227783 where: bonds (distance) C4'-P energy: -125.415 bonds (distance) P-C4' energy: -153.463 flat angles C4'-P-C4' energy: -110.260 flat angles P-C4'-P energy: -44.545 tors. eta vs tors. theta energy: 11.456 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: 1, replica: 10 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -2279.097495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.097495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.097495 (E_RNA) where: Base-Base interactions energy: -1519.675 where: short stacking energy: -717.829 Base-Backbone interact. energy: -3.184 local terms energy: -756.237741 where: bonds (distance) C4'-P energy: -158.243 bonds (distance) P-C4' energy: -151.286 flat angles C4'-P-C4' energy: -158.075 flat angles P-C4'-P energy: -115.128 tors. eta vs tors. theta energy: -173.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -2061.150603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.150603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.150603 (E_RNA) where: Base-Base interactions energy: -1302.506 where: short stacking energy: -677.873 Base-Backbone interact. energy: -1.874 local terms energy: -756.770674 where: bonds (distance) C4'-P energy: -159.980 bonds (distance) P-C4' energy: -156.369 flat angles C4'-P-C4' energy: -165.994 flat angles P-C4'-P energy: -98.976 tors. eta vs tors. theta energy: -175.452 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: 3, replica: 3 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1794.290808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.290808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.290808 (E_RNA) where: Base-Base interactions energy: -1065.166 where: short stacking energy: -566.444 Base-Backbone interact. energy: -0.916 local terms energy: -728.208317 where: bonds (distance) C4'-P energy: -149.910 bonds (distance) P-C4' energy: -166.680 flat angles C4'-P-C4' energy: -175.881 flat angles P-C4'-P energy: -95.219 tors. eta vs tors. theta energy: -140.519 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: 2 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1750.467267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.467267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.467267 (E_RNA) where: Base-Base interactions energy: -1053.030 where: short stacking energy: -531.661 Base-Backbone interact. energy: -1.378 local terms energy: -696.058980 where: bonds (distance) C4'-P energy: -140.862 bonds (distance) P-C4' energy: -157.365 flat angles C4'-P-C4' energy: -177.172 flat angles P-C4'-P energy: -79.975 tors. eta vs tors. theta energy: -140.685 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: 5 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1493.551665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.551665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.551665 (E_RNA) where: Base-Base interactions energy: -898.723 where: short stacking energy: -483.392 Base-Backbone interact. energy: -2.960 local terms energy: -591.869307 where: bonds (distance) C4'-P energy: -123.957 bonds (distance) P-C4' energy: -159.461 flat angles C4'-P-C4' energy: -132.438 flat angles P-C4'-P energy: -90.130 tors. eta vs tors. theta energy: -85.884 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: 6, replica: 1 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1352.070913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.070913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.070913 (E_RNA) where: Base-Base interactions energy: -776.751 where: short stacking energy: -457.350 Base-Backbone interact. energy: 0.085 local terms energy: -575.404610 where: bonds (distance) C4'-P energy: -135.701 bonds (distance) P-C4' energy: -143.371 flat angles C4'-P-C4' energy: -124.761 flat angles P-C4'-P energy: -89.701 tors. eta vs tors. theta energy: -81.870 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: 7, replica: 4 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -1318.940858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.940858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.940858 (E_RNA) where: Base-Base interactions energy: -787.770 where: short stacking energy: -428.089 Base-Backbone interact. energy: -3.268 local terms energy: -527.902787 where: bonds (distance) C4'-P energy: -130.624 bonds (distance) P-C4' energy: -136.069 flat angles C4'-P-C4' energy: -127.653 flat angles P-C4'-P energy: -55.532 tors. eta vs tors. theta energy: -78.024 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: 8, replica: 8 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -1332.661093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.661093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.661093 (E_RNA) where: Base-Base interactions energy: -807.557 where: short stacking energy: -410.833 Base-Backbone interact. energy: -2.048 local terms energy: -523.056361 where: bonds (distance) C4'-P energy: -133.123 bonds (distance) P-C4' energy: -140.440 flat angles C4'-P-C4' energy: -120.330 flat angles P-C4'-P energy: -72.097 tors. eta vs tors. theta energy: -57.066 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: 9 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -809.539379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.539379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.539379 (E_RNA) where: Base-Base interactions energy: -365.100 where: short stacking energy: -217.231 Base-Backbone interact. energy: 0.751 local terms energy: -445.189965 where: bonds (distance) C4'-P energy: -151.508 bonds (distance) P-C4' energy: -148.878 flat angles C4'-P-C4' energy: -96.472 flat angles P-C4'-P energy: -73.371 tors. eta vs tors. theta energy: 25.039 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: 10, replica: 6 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -638.356186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.356186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.356186 (E_RNA) where: Base-Base interactions energy: -258.342 where: short stacking energy: -183.246 Base-Backbone interact. energy: 5.541 local terms energy: -385.555311 where: bonds (distance) C4'-P energy: -127.911 bonds (distance) P-C4' energy: -133.303 flat angles C4'-P-C4' energy: -111.333 flat angles P-C4'-P energy: -58.221 tors. eta vs tors. theta energy: 45.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -2317.536763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.536763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.536763 (E_RNA) where: Base-Base interactions energy: -1524.456 where: short stacking energy: -726.346 Base-Backbone interact. energy: -2.299 local terms energy: -790.781909 where: bonds (distance) C4'-P energy: -152.425 bonds (distance) P-C4' energy: -180.080 flat angles C4'-P-C4' energy: -165.672 flat angles P-C4'-P energy: -121.850 tors. eta vs tors. theta energy: -170.755 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: 7 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -2058.511223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.511223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.511223 (E_RNA) where: Base-Base interactions energy: -1316.283 where: short stacking energy: -681.361 Base-Backbone interact. energy: -0.872 local terms energy: -741.355796 where: bonds (distance) C4'-P energy: -139.519 bonds (distance) P-C4' energy: -164.527 flat angles C4'-P-C4' energy: -157.086 flat angles P-C4'-P energy: -121.166 tors. eta vs tors. theta energy: -159.059 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: 3, replica: 3 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1829.704411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.704411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.704411 (E_RNA) where: Base-Base interactions energy: -1106.922 where: short stacking energy: -564.324 Base-Backbone interact. energy: -3.714 local terms energy: -719.068638 where: bonds (distance) C4'-P energy: -165.956 bonds (distance) P-C4' energy: -171.088 flat angles C4'-P-C4' energy: -151.279 flat angles P-C4'-P energy: -94.699 tors. eta vs tors. theta energy: -136.048 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: 24 Temperature: 1.050000 Total energy: -1737.806231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.806231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.806231 (E_RNA) where: Base-Base interactions energy: -1034.464 where: short stacking energy: -511.678 Base-Backbone interact. energy: -2.649 local terms energy: -700.693603 where: bonds (distance) C4'-P energy: -147.667 bonds (distance) P-C4' energy: -171.607 flat angles C4'-P-C4' energy: -158.744 flat angles P-C4'-P energy: -106.938 tors. eta vs tors. theta energy: -115.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1547.657357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.657357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.657357 (E_RNA) where: Base-Base interactions energy: -938.834 where: short stacking energy: -503.467 Base-Backbone interact. energy: -1.523 local terms energy: -607.300839 where: bonds (distance) C4'-P energy: -136.987 bonds (distance) P-C4' energy: -162.066 flat angles C4'-P-C4' energy: -119.619 flat angles P-C4'-P energy: -86.039 tors. eta vs tors. theta energy: -102.589 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: 6, replica: 1 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1401.247884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.247884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.247884 (E_RNA) where: Base-Base interactions energy: -792.030 where: short stacking energy: -437.175 Base-Backbone interact. energy: 4.120 local terms energy: -613.337790 where: bonds (distance) C4'-P energy: -145.368 bonds (distance) P-C4' energy: -155.090 flat angles C4'-P-C4' energy: -143.531 flat angles P-C4'-P energy: -84.097 tors. eta vs tors. theta energy: -85.252 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: 8 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -1543.384088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.384088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.384088 (E_RNA) where: Base-Base interactions energy: -967.652 where: short stacking energy: -472.501 Base-Backbone interact. energy: -0.767 local terms energy: -574.965497 where: bonds (distance) C4'-P energy: -130.850 bonds (distance) P-C4' energy: -120.292 flat angles C4'-P-C4' energy: -150.891 flat angles P-C4'-P energy: -88.060 tors. eta vs tors. theta energy: -84.873 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: 4 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -1255.506286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.506286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.506286 (E_RNA) where: Base-Base interactions energy: -717.101 where: short stacking energy: -412.623 Base-Backbone interact. energy: 2.869 local terms energy: -541.274243 where: bonds (distance) C4'-P energy: -138.057 bonds (distance) P-C4' energy: -153.615 flat angles C4'-P-C4' energy: -135.184 flat angles P-C4'-P energy: -65.352 tors. eta vs tors. theta energy: -49.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -791.676344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.676344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.676344 (E_RNA) where: Base-Base interactions energy: -363.989 where: short stacking energy: -250.606 Base-Backbone interact. energy: 4.625 local terms energy: -432.312622 where: bonds (distance) C4'-P energy: -118.571 bonds (distance) P-C4' energy: -140.050 flat angles C4'-P-C4' energy: -111.593 flat angles P-C4'-P energy: -73.829 tors. eta vs tors. theta energy: 11.731 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: 10, replica: 6 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -620.722827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.722827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.722827 (E_RNA) where: Base-Base interactions energy: -258.426 where: short stacking energy: -179.003 Base-Backbone interact. energy: 5.416 local terms energy: -367.712616 where: bonds (distance) C4'-P energy: -123.349 bonds (distance) P-C4' energy: -128.521 flat angles C4'-P-C4' energy: -115.780 flat angles P-C4'-P energy: -41.901 tors. eta vs tors. theta energy: 41.839 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: 10 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -2315.834296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.834296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.834296 (E_RNA) where: Base-Base interactions energy: -1519.343 where: short stacking energy: -721.851 Base-Backbone interact. energy: 0.538 local terms energy: -797.028486 where: bonds (distance) C4'-P energy: -173.752 bonds (distance) P-C4' energy: -166.027 flat angles C4'-P-C4' energy: -171.677 flat angles P-C4'-P energy: -110.876 tors. eta vs tors. theta energy: -174.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -2176.261638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.261638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.261638 (E_RNA) where: Base-Base interactions energy: -1379.562 where: short stacking energy: -694.338 Base-Backbone interact. energy: -4.374 local terms energy: -792.326199 where: bonds (distance) C4'-P energy: -161.607 bonds (distance) P-C4' energy: -172.346 flat angles C4'-P-C4' energy: -172.939 flat angles P-C4'-P energy: -104.415 tors. eta vs tors. theta energy: -181.019 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: 3 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1874.343594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.343594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.343594 (E_RNA) where: Base-Base interactions energy: -1162.988 where: short stacking energy: -583.425 Base-Backbone interact. energy: 2.144 local terms energy: -713.500177 where: bonds (distance) C4'-P energy: -162.723 bonds (distance) P-C4' energy: -158.757 flat angles C4'-P-C4' energy: -158.815 flat angles P-C4'-P energy: -103.918 tors. eta vs tors. theta energy: -129.287 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: 25 Temperature: 1.050000 Total energy: -1745.184434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.184434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.184434 (E_RNA) where: Base-Base interactions energy: -1056.471 where: short stacking energy: -553.364 Base-Backbone interact. energy: -1.824 local terms energy: -686.889966 where: bonds (distance) C4'-P energy: -137.787 bonds (distance) P-C4' energy: -162.236 flat angles C4'-P-C4' energy: -154.188 flat angles P-C4'-P energy: -110.741 tors. eta vs tors. theta energy: -121.938 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: 5 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1557.599102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.599102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.599102 (E_RNA) where: Base-Base interactions energy: -917.832 where: short stacking energy: -513.116 Base-Backbone interact. energy: 0.684 local terms energy: -640.451600 where: bonds (distance) C4'-P energy: -143.132 bonds (distance) P-C4' energy: -141.435 flat angles C4'-P-C4' energy: -145.027 flat angles P-C4'-P energy: -95.805 tors. eta vs tors. theta energy: -115.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1726.949747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.949747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.949747 (E_RNA) where: Base-Base interactions energy: -1068.954 where: short stacking energy: -549.748 Base-Backbone interact. energy: -3.156 local terms energy: -654.839747 where: bonds (distance) C4'-P energy: -148.208 bonds (distance) P-C4' energy: -126.794 flat angles C4'-P-C4' energy: -159.776 flat angles P-C4'-P energy: -91.829 tors. eta vs tors. theta energy: -128.233 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: 1 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -1296.493010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.493010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.493010 (E_RNA) where: Base-Base interactions energy: -748.658 where: short stacking energy: -419.472 Base-Backbone interact. energy: -0.244 local terms energy: -547.590915 where: bonds (distance) C4'-P energy: -124.338 bonds (distance) P-C4' energy: -123.335 flat angles C4'-P-C4' energy: -139.418 flat angles P-C4'-P energy: -91.825 tors. eta vs tors. theta energy: -68.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -1207.271820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.271820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.271820 (E_RNA) where: Base-Base interactions energy: -718.174 where: short stacking energy: -355.787 Base-Backbone interact. energy: -1.412 local terms energy: -487.685716 where: bonds (distance) C4'-P energy: -125.486 bonds (distance) P-C4' energy: -130.928 flat angles C4'-P-C4' energy: -130.176 flat angles P-C4'-P energy: -72.708 tors. eta vs tors. theta energy: -28.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -826.657696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.657696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.657696 (E_RNA) where: Base-Base interactions energy: -365.325 where: short stacking energy: -258.347 Base-Backbone interact. energy: -0.930 local terms energy: -460.402524 where: bonds (distance) C4'-P energy: -103.903 bonds (distance) P-C4' energy: -153.343 flat angles C4'-P-C4' energy: -132.392 flat angles P-C4'-P energy: -70.173 tors. eta vs tors. theta energy: -0.592 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: 6 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -685.401316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.401316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.401316 (E_RNA) where: Base-Base interactions energy: -251.554 where: short stacking energy: -216.889 Base-Backbone interact. energy: 4.182 local terms energy: -438.029435 where: bonds (distance) C4'-P energy: -131.938 bonds (distance) P-C4' energy: -121.749 flat angles C4'-P-C4' energy: -105.401 flat angles P-C4'-P energy: -81.139 tors. eta vs tors. theta energy: 2.197 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: 1, replica: 10 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -2340.063221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.063221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.063221 (E_RNA) where: Base-Base interactions energy: -1539.245 where: short stacking energy: -750.082 Base-Backbone interact. energy: -1.325 local terms energy: -799.492831 where: bonds (distance) C4'-P energy: -148.105 bonds (distance) P-C4' energy: -172.439 flat angles C4'-P-C4' energy: -172.354 flat angles P-C4'-P energy: -115.678 tors. eta vs tors. theta energy: -190.918 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: 7 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -2222.838840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.838840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.838840 (E_RNA) where: Base-Base interactions energy: -1408.945 where: short stacking energy: -757.976 Base-Backbone interact. energy: -3.652 local terms energy: -810.241236 where: bonds (distance) C4'-P energy: -154.981 bonds (distance) P-C4' energy: -160.842 flat angles C4'-P-C4' energy: -178.252 flat angles P-C4'-P energy: -118.981 tors. eta vs tors. theta energy: -197.185 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: 3, replica: 2 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1862.678460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.678460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.678460 (E_RNA) where: Base-Base interactions energy: -1149.108 where: short stacking energy: -618.824 Base-Backbone interact. energy: -1.682 local terms energy: -711.887996 where: bonds (distance) C4'-P energy: -155.023 bonds (distance) P-C4' energy: -155.842 flat angles C4'-P-C4' energy: -154.645 flat angles P-C4'-P energy: -105.893 tors. eta vs tors. theta energy: -140.485 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: 4, replica: 3 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1725.771276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.771276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.771276 (E_RNA) where: Base-Base interactions energy: -1063.265 where: short stacking energy: -534.416 Base-Backbone interact. energy: -3.422 local terms energy: -659.084762 where: bonds (distance) C4'-P energy: -149.309 bonds (distance) P-C4' energy: -139.811 flat angles C4'-P-C4' energy: -161.013 flat angles P-C4'-P energy: -92.617 tors. eta vs tors. theta energy: -116.335 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: 8 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1902.135327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.135327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.135327 (E_RNA) where: Base-Base interactions energy: -1209.100 where: short stacking energy: -598.606 Base-Backbone interact. energy: -1.130 local terms energy: -691.905087 where: bonds (distance) C4'-P energy: -146.550 bonds (distance) P-C4' energy: -154.924 flat angles C4'-P-C4' energy: -148.426 flat angles P-C4'-P energy: -94.192 tors. eta vs tors. theta energy: -147.813 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: 6, replica: 5 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1493.069638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.069638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.069638 (E_RNA) where: Base-Base interactions energy: -879.704 where: short stacking energy: -433.298 Base-Backbone interact. energy: -2.643 local terms energy: -610.722228 where: bonds (distance) C4'-P energy: -167.020 bonds (distance) P-C4' energy: -122.777 flat angles C4'-P-C4' energy: -150.472 flat angles P-C4'-P energy: -85.332 tors. eta vs tors. theta energy: -85.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -1246.263650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.263650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.263650 (E_RNA) where: Base-Base interactions energy: -720.177 where: short stacking energy: -371.229 Base-Backbone interact. energy: -3.565 local terms energy: -522.520980 where: bonds (distance) C4'-P energy: -121.736 bonds (distance) P-C4' energy: -138.768 flat angles C4'-P-C4' energy: -127.169 flat angles P-C4'-P energy: -82.272 tors. eta vs tors. theta energy: -52.576 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: 8, replica: 4 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -1271.913269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.913269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.913269 (E_RNA) where: Base-Base interactions energy: -748.864 where: short stacking energy: -384.537 Base-Backbone interact. energy: 3.012 local terms energy: -526.060988 where: bonds (distance) C4'-P energy: -117.681 bonds (distance) P-C4' energy: -134.028 flat angles C4'-P-C4' energy: -132.920 flat angles P-C4'-P energy: -80.942 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: 9, replica: 9 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -800.900757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.900757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.900757 (E_RNA) where: Base-Base interactions energy: -342.038 where: short stacking energy: -239.800 Base-Backbone interact. energy: -0.115 local terms energy: -458.747962 where: bonds (distance) C4'-P energy: -132.509 bonds (distance) P-C4' energy: -134.678 flat angles C4'-P-C4' energy: -123.720 flat angles P-C4'-P energy: -69.936 tors. eta vs tors. theta energy: 2.096 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: 6 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -644.715646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.715646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.715646 (E_RNA) where: Base-Base interactions energy: -220.284 where: short stacking energy: -169.239 Base-Backbone interact. energy: -0.335 local terms energy: -424.096257 where: bonds (distance) C4'-P energy: -131.836 bonds (distance) P-C4' energy: -153.592 flat angles C4'-P-C4' energy: -96.523 flat angles P-C4'-P energy: -50.840 tors. eta vs tors. theta energy: 8.695 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: 10 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -2401.376285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.376285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.376285 (E_RNA) where: Base-Base interactions energy: -1575.307 where: short stacking energy: -782.517 Base-Backbone interact. energy: -3.893 local terms energy: -822.176862 where: bonds (distance) C4'-P energy: -153.227 bonds (distance) P-C4' energy: -162.668 flat angles C4'-P-C4' energy: -188.273 flat angles P-C4'-P energy: -111.736 tors. eta vs tors. theta energy: -206.273 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: 2, replica: 7 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -2214.708167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.708167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.708167 (E_RNA) where: Base-Base interactions energy: -1412.401 where: short stacking energy: -703.629 Base-Backbone interact. energy: -2.792 local terms energy: -799.514837 where: bonds (distance) C4'-P energy: -160.777 bonds (distance) P-C4' energy: -165.828 flat angles C4'-P-C4' energy: -180.918 flat angles P-C4'-P energy: -113.188 tors. eta vs tors. theta energy: -178.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1867.156042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.156042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.156042 (E_RNA) where: Base-Base interactions energy: -1164.306 where: short stacking energy: -599.308 Base-Backbone interact. energy: 1.326 local terms energy: -704.176196 where: bonds (distance) C4'-P energy: -144.133 bonds (distance) P-C4' energy: -156.053 flat angles C4'-P-C4' energy: -165.231 flat angles P-C4'-P energy: -102.126 tors. eta vs tors. theta energy: -136.632 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: 4, replica: 8 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -2058.305340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.305340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.305340 (E_RNA) where: Base-Base interactions energy: -1336.950 where: short stacking energy: -629.524 Base-Backbone interact. energy: -2.048 local terms energy: -719.307329 where: bonds (distance) C4'-P energy: -134.833 bonds (distance) P-C4' energy: -172.628 flat angles C4'-P-C4' energy: -152.665 flat angles P-C4'-P energy: -98.524 tors. eta vs tors. theta energy: -160.658 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: 5, replica: 3 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1671.316092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.316092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.316092 (E_RNA) where: Base-Base interactions energy: -1025.591 where: short stacking energy: -524.970 Base-Backbone interact. energy: -1.652 local terms energy: -644.072526 where: bonds (distance) C4'-P energy: -128.570 bonds (distance) P-C4' energy: -149.788 flat angles C4'-P-C4' energy: -161.201 flat angles P-C4'-P energy: -95.480 tors. eta vs tors. theta energy: -109.033 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: 27 Temperature: 1.150000 Total energy: -1426.015068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.015068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.015068 (E_RNA) where: Base-Base interactions energy: -844.163 where: short stacking energy: -498.218 Base-Backbone interact. energy: -1.673 local terms energy: -580.179012 where: bonds (distance) C4'-P energy: -135.614 bonds (distance) P-C4' energy: -121.594 flat angles C4'-P-C4' energy: -152.304 flat angles P-C4'-P energy: -74.439 tors. eta vs tors. theta energy: -96.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -1275.370945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.370945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.370945 (E_RNA) where: Base-Base interactions energy: -731.638 where: short stacking energy: -410.382 Base-Backbone interact. energy: -2.988 local terms energy: -540.744296 where: bonds (distance) C4'-P energy: -133.054 bonds (distance) P-C4' energy: -132.418 flat angles C4'-P-C4' energy: -129.093 flat angles P-C4'-P energy: -73.625 tors. eta vs tors. theta energy: -72.554 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: 8, replica: 4 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -1334.322050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.322050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.322050 (E_RNA) where: Base-Base interactions energy: -801.471 where: short stacking energy: -412.948 Base-Backbone interact. energy: 5.072 local terms energy: -537.922733 where: bonds (distance) C4'-P energy: -126.140 bonds (distance) P-C4' energy: -149.341 flat angles C4'-P-C4' energy: -119.698 flat angles P-C4'-P energy: -82.013 tors. eta vs tors. theta energy: -60.729 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: 9 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -797.464577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.464577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.464577 (E_RNA) where: Base-Base interactions energy: -348.795 where: short stacking energy: -277.114 Base-Backbone interact. energy: 7.891 local terms energy: -456.560115 where: bonds (distance) C4'-P energy: -130.447 bonds (distance) P-C4' energy: -140.929 flat angles C4'-P-C4' energy: -115.175 flat angles P-C4'-P energy: -70.150 tors. eta vs tors. theta energy: 0.141 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: 6 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -645.592110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.592110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.592110 (E_RNA) where: Base-Base interactions energy: -295.538 where: short stacking energy: -197.728 Base-Backbone interact. energy: 4.073 local terms energy: -354.127568 where: bonds (distance) C4'-P energy: -124.306 bonds (distance) P-C4' energy: -128.530 flat angles C4'-P-C4' energy: -111.667 flat angles P-C4'-P energy: -42.755 tors. eta vs tors. theta energy: 53.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -2375.685399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.685399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.685399 (E_RNA) where: Base-Base interactions energy: -1536.296 where: short stacking energy: -755.418 Base-Backbone interact. energy: -3.980 local terms energy: -835.409045 where: bonds (distance) C4'-P energy: -162.638 bonds (distance) P-C4' energy: -156.485 flat angles C4'-P-C4' energy: -188.952 flat angles P-C4'-P energy: -125.829 tors. eta vs tors. theta energy: -201.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -2297.979337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.979337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.979337 (E_RNA) where: Base-Base interactions energy: -1509.053 where: short stacking energy: -752.135 Base-Backbone interact. energy: 0.903 local terms energy: -789.829161 where: bonds (distance) C4'-P energy: -165.347 bonds (distance) P-C4' energy: -147.908 flat angles C4'-P-C4' energy: -170.378 flat angles P-C4'-P energy: -115.676 tors. eta vs tors. theta energy: -190.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -2201.570604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.570604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.570604 (E_RNA) where: Base-Base interactions energy: -1427.115 where: short stacking energy: -647.866 Base-Backbone interact. energy: -0.076 local terms energy: -774.379625 where: bonds (distance) C4'-P energy: -160.910 bonds (distance) P-C4' energy: -166.800 flat angles C4'-P-C4' energy: -178.360 flat angles P-C4'-P energy: -96.176 tors. eta vs tors. theta energy: -172.133 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: 4, replica: 2 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1847.919902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.919902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.919902 (E_RNA) where: Base-Base interactions energy: -1154.715 where: short stacking energy: -598.296 Base-Backbone interact. energy: 0.956 local terms energy: -694.160502 where: bonds (distance) C4'-P energy: -148.134 bonds (distance) P-C4' energy: -163.079 flat angles C4'-P-C4' energy: -145.627 flat angles P-C4'-P energy: -101.664 tors. eta vs tors. theta energy: -135.656 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: 5, replica: 3 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1606.534459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.534459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.534459 (E_RNA) where: Base-Base interactions energy: -995.280 where: short stacking energy: -518.903 Base-Backbone interact. energy: -1.641 local terms energy: -609.613121 where: bonds (distance) C4'-P energy: -110.445 bonds (distance) P-C4' energy: -147.685 flat angles C4'-P-C4' energy: -157.853 flat angles P-C4'-P energy: -101.473 tors. eta vs tors. theta energy: -92.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1392.067990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.067990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.067990 (E_RNA) where: Base-Base interactions energy: -800.812 where: short stacking energy: -419.801 Base-Backbone interact. energy: 0.267 local terms energy: -591.522969 where: bonds (distance) C4'-P energy: -166.877 bonds (distance) P-C4' energy: -131.569 flat angles C4'-P-C4' energy: -141.582 flat angles P-C4'-P energy: -86.046 tors. eta vs tors. theta energy: -65.449 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: 7, replica: 4 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -1429.795880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.795880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.795880 (E_RNA) where: Base-Base interactions energy: -866.572 where: short stacking energy: -459.128 Base-Backbone interact. energy: 4.273 local terms energy: -567.497322 where: bonds (distance) C4'-P energy: -130.502 bonds (distance) P-C4' energy: -141.706 flat angles C4'-P-C4' energy: -133.139 flat angles P-C4'-P energy: -68.992 tors. eta vs tors. theta energy: -93.159 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: 1 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -1242.598328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.598328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.598328 (E_RNA) where: Base-Base interactions energy: -694.904 where: short stacking energy: -326.382 Base-Backbone interact. energy: -2.334 local terms energy: -545.360974 where: bonds (distance) C4'-P energy: -138.028 bonds (distance) P-C4' energy: -140.393 flat angles C4'-P-C4' energy: -120.312 flat angles P-C4'-P energy: -94.385 tors. eta vs tors. theta energy: -52.244 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: 9 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -759.164774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.164774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.164774 (E_RNA) where: Base-Base interactions energy: -347.326 where: short stacking energy: -229.483 Base-Backbone interact. energy: 1.861 local terms energy: -413.699919 where: bonds (distance) C4'-P energy: -138.664 bonds (distance) P-C4' energy: -134.750 flat angles C4'-P-C4' energy: -91.486 flat angles P-C4'-P energy: -74.501 tors. eta vs tors. theta energy: 25.701 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: 10, replica: 6 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -663.363092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.363092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.363092 (E_RNA) where: Base-Base interactions energy: -250.191 where: short stacking energy: -190.891 Base-Backbone interact. energy: -0.924 local terms energy: -412.247558 where: bonds (distance) C4'-P energy: -127.958 bonds (distance) P-C4' energy: -146.361 flat angles C4'-P-C4' energy: -97.120 flat angles P-C4'-P energy: -57.096 tors. eta vs tors. theta energy: 16.288 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: 1, replica: 10 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -2393.101537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.101537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.101537 (E_RNA) where: Base-Base interactions energy: -1592.862 where: short stacking energy: -746.265 Base-Backbone interact. energy: 2.134 local terms energy: -802.374021 where: bonds (distance) C4'-P energy: -162.541 bonds (distance) P-C4' energy: -159.814 flat angles C4'-P-C4' energy: -171.876 flat angles P-C4'-P energy: -114.310 tors. eta vs tors. theta energy: -193.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -2286.819980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.819980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.819980 (E_RNA) where: Base-Base interactions energy: -1484.909 where: short stacking energy: -735.645 Base-Backbone interact. energy: -1.243 local terms energy: -800.667593 where: bonds (distance) C4'-P energy: -165.559 bonds (distance) P-C4' energy: -155.355 flat angles C4'-P-C4' energy: -180.054 flat angles P-C4'-P energy: -109.477 tors. eta vs tors. theta energy: -190.224 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: 8 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -2233.221711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.221711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.221711 (E_RNA) where: Base-Base interactions energy: -1447.757 where: short stacking energy: -652.371 Base-Backbone interact. energy: -2.740 local terms energy: -782.724707 where: bonds (distance) C4'-P energy: -153.267 bonds (distance) P-C4' energy: -167.239 flat angles C4'-P-C4' energy: -176.226 flat angles P-C4'-P energy: -108.713 tors. eta vs tors. theta energy: -177.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1865.392158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.392158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.392158 (E_RNA) where: Base-Base interactions energy: -1180.037 where: short stacking energy: -613.393 Base-Backbone interact. energy: -3.690 local terms energy: -681.665315 where: bonds (distance) C4'-P energy: -146.661 bonds (distance) P-C4' energy: -151.491 flat angles C4'-P-C4' energy: -157.555 flat angles P-C4'-P energy: -84.295 tors. eta vs tors. theta energy: -141.664 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: 5, replica: 3 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1590.004150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.004150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.004150 (E_RNA) where: Base-Base interactions energy: -924.887 where: short stacking energy: -502.636 Base-Backbone interact. energy: -1.650 local terms energy: -663.467068 where: bonds (distance) C4'-P energy: -152.016 bonds (distance) P-C4' energy: -147.306 flat angles C4'-P-C4' energy: -170.624 flat angles P-C4'-P energy: -98.174 tors. eta vs tors. theta energy: -95.347 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: 4 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1468.191093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.191093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.191093 (E_RNA) where: Base-Base interactions energy: -860.340 where: short stacking energy: -448.535 Base-Backbone interact. energy: -4.250 local terms energy: -603.601960 where: bonds (distance) C4'-P energy: -143.456 bonds (distance) P-C4' energy: -141.563 flat angles C4'-P-C4' energy: -143.541 flat angles P-C4'-P energy: -108.562 tors. eta vs tors. theta energy: -66.480 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: 5 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -1511.393216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.393216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.393216 (E_RNA) where: Base-Base interactions energy: -922.080 where: short stacking energy: -469.681 Base-Backbone interact. energy: 3.734 local terms energy: -593.046622 where: bonds (distance) C4'-P energy: -123.838 bonds (distance) P-C4' energy: -144.339 flat angles C4'-P-C4' energy: -151.708 flat angles P-C4'-P energy: -75.187 tors. eta vs tors. theta energy: -97.975 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: 8, replica: 1 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -1153.962244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.962244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.962244 (E_RNA) where: Base-Base interactions energy: -670.913 where: short stacking energy: -342.143 Base-Backbone interact. energy: 0.958 local terms energy: -484.007418 where: bonds (distance) C4'-P energy: -129.019 bonds (distance) P-C4' energy: -120.474 flat angles C4'-P-C4' energy: -132.602 flat angles P-C4'-P energy: -68.385 tors. eta vs tors. theta energy: -33.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -866.230534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.230534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.230534 (E_RNA) where: Base-Base interactions energy: -415.306 where: short stacking energy: -271.433 Base-Backbone interact. energy: -1.688 local terms energy: -449.236499 where: bonds (distance) C4'-P energy: -126.640 bonds (distance) P-C4' energy: -127.935 flat angles C4'-P-C4' energy: -106.381 flat angles P-C4'-P energy: -61.676 tors. eta vs tors. theta energy: -26.605 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: 6 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -761.616486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.616486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.616486 (E_RNA) where: Base-Base interactions energy: -330.833 where: short stacking energy: -192.020 Base-Backbone interact. energy: -2.450 local terms energy: -428.332806 where: bonds (distance) C4'-P energy: -122.445 bonds (distance) P-C4' energy: -155.850 flat angles C4'-P-C4' energy: -113.905 flat angles P-C4'-P energy: -64.412 tors. eta vs tors. theta energy: 28.280 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: 10 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -2419.103397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.103397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.103397 (E_RNA) where: Base-Base interactions energy: -1588.679 where: short stacking energy: -771.486 Base-Backbone interact. energy: -3.499 local terms energy: -826.925576 where: bonds (distance) C4'-P energy: -170.851 bonds (distance) P-C4' energy: -153.878 flat angles C4'-P-C4' energy: -177.475 flat angles P-C4'-P energy: -124.818 tors. eta vs tors. theta energy: -199.904 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: 7 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -2256.053785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.053785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.053785 (E_RNA) where: Base-Base interactions energy: -1474.172 where: short stacking energy: -686.693 Base-Backbone interact. energy: -0.196 local terms energy: -781.685332 where: bonds (distance) C4'-P energy: -169.518 bonds (distance) P-C4' energy: -155.236 flat angles C4'-P-C4' energy: -173.806 flat angles P-C4'-P energy: -106.517 tors. eta vs tors. theta energy: -176.609 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: 8 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -2262.186028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.186028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.186028 (E_RNA) where: Base-Base interactions energy: -1503.687 where: short stacking energy: -688.373 Base-Backbone interact. energy: 0.390 local terms energy: -758.889243 where: bonds (distance) C4'-P energy: -156.919 bonds (distance) P-C4' energy: -148.471 flat angles C4'-P-C4' energy: -171.586 flat angles P-C4'-P energy: -93.157 tors. eta vs tors. theta energy: -188.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1891.906853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.906853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.906853 (E_RNA) where: Base-Base interactions energy: -1192.458 where: short stacking energy: -612.328 Base-Backbone interact. energy: 1.729 local terms energy: -701.178118 where: bonds (distance) C4'-P energy: -149.879 bonds (distance) P-C4' energy: -146.501 flat angles C4'-P-C4' energy: -164.762 flat angles P-C4'-P energy: -98.179 tors. eta vs tors. theta energy: -141.856 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: 5, replica: 3 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1577.216633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.216633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.216633 (E_RNA) where: Base-Base interactions energy: -966.777 where: short stacking energy: -513.208 Base-Backbone interact. energy: 0.808 local terms energy: -611.248136 where: bonds (distance) C4'-P energy: -141.076 bonds (distance) P-C4' energy: -158.896 flat angles C4'-P-C4' energy: -130.811 flat angles P-C4'-P energy: -65.973 tors. eta vs tors. theta energy: -114.493 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: 4 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1502.435893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.435893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.435893 (E_RNA) where: Base-Base interactions energy: -909.954 where: short stacking energy: -452.097 Base-Backbone interact. energy: 0.196 local terms energy: -592.677975 where: bonds (distance) C4'-P energy: -151.524 bonds (distance) P-C4' energy: -148.434 flat angles C4'-P-C4' energy: -119.397 flat angles P-C4'-P energy: -94.572 tors. eta vs tors. theta energy: -78.752 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: 7, replica: 5 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -1510.474051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.474051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.474051 (E_RNA) where: Base-Base interactions energy: -891.194 where: short stacking energy: -489.327 Base-Backbone interact. energy: -2.656 local terms energy: -616.623828 where: bonds (distance) C4'-P energy: -145.223 bonds (distance) P-C4' energy: -136.689 flat angles C4'-P-C4' energy: -146.124 flat angles P-C4'-P energy: -93.673 tors. eta vs tors. theta energy: -94.916 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: 8, replica: 1 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -1195.699374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.699374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.699374 (E_RNA) where: Base-Base interactions energy: -643.404 where: short stacking energy: -315.977 Base-Backbone interact. energy: 0.411 local terms energy: -552.706692 where: bonds (distance) C4'-P energy: -136.938 bonds (distance) P-C4' energy: -162.756 flat angles C4'-P-C4' energy: -140.927 flat angles P-C4'-P energy: -78.879 tors. eta vs tors. theta energy: -33.208 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: 9 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -878.811340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.811340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.811340 (E_RNA) where: Base-Base interactions energy: -426.832 where: short stacking energy: -281.861 Base-Backbone interact. energy: 0.410 local terms energy: -452.389452 where: bonds (distance) C4'-P energy: -123.589 bonds (distance) P-C4' energy: -144.994 flat angles C4'-P-C4' energy: -97.108 flat angles P-C4'-P energy: -66.989 tors. eta vs tors. theta energy: -19.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -811.460679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.460679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.460679 (E_RNA) where: Base-Base interactions energy: -393.084 where: short stacking energy: -253.931 Base-Backbone interact. energy: 2.705 local terms energy: -421.082093 where: bonds (distance) C4'-P energy: -130.988 bonds (distance) P-C4' energy: -132.547 flat angles C4'-P-C4' energy: -119.324 flat angles P-C4'-P energy: -44.921 tors. eta vs tors. theta energy: 6.697 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: 10 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -2436.838059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.838059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.838059 (E_RNA) where: Base-Base interactions energy: -1635.030 where: short stacking energy: -767.802 Base-Backbone interact. energy: -1.034 local terms energy: -800.773384 where: bonds (distance) C4'-P energy: -152.058 bonds (distance) P-C4' energy: -172.893 flat angles C4'-P-C4' energy: -164.952 flat angles P-C4'-P energy: -115.304 tors. eta vs tors. theta energy: -195.567 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: 2, replica: 7 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -2261.134155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.134155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.134155 (E_RNA) where: Base-Base interactions energy: -1453.747 where: short stacking energy: -710.334 Base-Backbone interact. energy: -3.924 local terms energy: -803.462757 where: bonds (distance) C4'-P energy: -155.879 bonds (distance) P-C4' energy: -169.991 flat angles C4'-P-C4' energy: -178.537 flat angles P-C4'-P energy: -116.928 tors. eta vs tors. theta energy: -182.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -2192.124669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.124669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.124669 (E_RNA) where: Base-Base interactions energy: -1463.433 where: short stacking energy: -671.262 Base-Backbone interact. energy: -3.089 local terms energy: -725.602903 where: bonds (distance) C4'-P energy: -147.791 bonds (distance) P-C4' energy: -141.236 flat angles C4'-P-C4' energy: -172.740 flat angles P-C4'-P energy: -104.617 tors. eta vs tors. theta energy: -159.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1879.405868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.405868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.405868 (E_RNA) where: Base-Base interactions energy: -1178.468 where: short stacking energy: -618.396 Base-Backbone interact. energy: -0.399 local terms energy: -700.538577 where: bonds (distance) C4'-P energy: -135.452 bonds (distance) P-C4' energy: -151.003 flat angles C4'-P-C4' energy: -169.514 flat angles P-C4'-P energy: -97.412 tors. eta vs tors. theta energy: -147.157 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: 5, replica: 3 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1639.227954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.227954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.227954 (E_RNA) where: Base-Base interactions energy: -1002.221 where: short stacking energy: -546.422 Base-Backbone interact. energy: -0.236 local terms energy: -636.771395 where: bonds (distance) C4'-P energy: -133.233 bonds (distance) P-C4' energy: -166.300 flat angles C4'-P-C4' energy: -161.822 flat angles P-C4'-P energy: -72.588 tors. eta vs tors. theta energy: -102.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1564.874795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.874795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.874795 (E_RNA) where: Base-Base interactions energy: -951.241 where: short stacking energy: -498.597 Base-Backbone interact. energy: -1.948 local terms energy: -611.685657 where: bonds (distance) C4'-P energy: -123.219 bonds (distance) P-C4' energy: -139.260 flat angles C4'-P-C4' energy: -139.294 flat angles P-C4'-P energy: -101.212 tors. eta vs tors. theta energy: -108.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1524.652109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.652109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.652109 (E_RNA) where: Base-Base interactions energy: -913.827 where: short stacking energy: -474.463 Base-Backbone interact. energy: -0.248 local terms energy: -610.576794 where: bonds (distance) C4'-P energy: -129.628 bonds (distance) P-C4' energy: -122.038 flat angles C4'-P-C4' energy: -157.782 flat angles P-C4'-P energy: -92.735 tors. eta vs tors. theta energy: -108.394 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: 1 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -1164.178259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.178259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.178259 (E_RNA) where: Base-Base interactions energy: -700.960 where: short stacking energy: -358.172 Base-Backbone interact. energy: -2.463 local terms energy: -460.754831 where: bonds (distance) C4'-P energy: -121.640 bonds (distance) P-C4' energy: -137.008 flat angles C4'-P-C4' energy: -121.975 flat angles P-C4'-P energy: -58.684 tors. eta vs tors. theta energy: -21.447 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: 9 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -913.675874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.675874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.675874 (E_RNA) where: Base-Base interactions energy: -456.158 where: short stacking energy: -254.827 Base-Backbone interact. energy: -0.283 local terms energy: -457.234883 where: bonds (distance) C4'-P energy: -139.272 bonds (distance) P-C4' energy: -146.928 flat angles C4'-P-C4' energy: -103.311 flat angles P-C4'-P energy: -69.861 tors. eta vs tors. theta energy: 2.136 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: 31 Temperature: 1.350000 Total energy: -814.471960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.471960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.471960 (E_RNA) where: Base-Base interactions energy: -416.649 where: short stacking energy: -254.166 Base-Backbone interact. energy: 2.250 local terms energy: -400.073510 where: bonds (distance) C4'-P energy: -106.351 bonds (distance) P-C4' energy: -125.304 flat angles C4'-P-C4' energy: -112.877 flat angles P-C4'-P energy: -66.652 tors. eta vs tors. theta energy: 11.111 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: 10 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -2409.388094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.388094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.388094 (E_RNA) where: Base-Base interactions energy: -1580.568 where: short stacking energy: -754.730 Base-Backbone interact. energy: -4.036 local terms energy: -824.784394 where: bonds (distance) C4'-P energy: -157.910 bonds (distance) P-C4' energy: -160.308 flat angles C4'-P-C4' energy: -186.758 flat angles P-C4'-P energy: -127.852 tors. eta vs tors. theta energy: -191.956 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: 2, replica: 7 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -2240.982365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.982365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.982365 (E_RNA) where: Base-Base interactions energy: -1436.586 where: short stacking energy: -690.668 Base-Backbone interact. energy: -4.580 local terms energy: -799.816319 where: bonds (distance) C4'-P energy: -167.700 bonds (distance) P-C4' energy: -180.364 flat angles C4'-P-C4' energy: -162.810 flat angles P-C4'-P energy: -117.872 tors. eta vs tors. theta energy: -171.070 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: 8 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -2247.245618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.245618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.245618 (E_RNA) where: Base-Base interactions energy: -1455.434 where: short stacking energy: -677.454 Base-Backbone interact. energy: -4.624 local terms energy: -787.187601 where: bonds (distance) C4'-P energy: -155.273 bonds (distance) P-C4' energy: -155.337 flat angles C4'-P-C4' energy: -172.056 flat angles P-C4'-P energy: -127.006 tors. eta vs tors. theta energy: -177.516 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: 4, replica: 2 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1921.890293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.890293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.890293 (E_RNA) where: Base-Base interactions energy: -1226.717 where: short stacking energy: -608.394 Base-Backbone interact. energy: -6.114 local terms energy: -689.059429 where: bonds (distance) C4'-P energy: -128.571 bonds (distance) P-C4' energy: -153.721 flat angles C4'-P-C4' energy: -167.283 flat angles P-C4'-P energy: -93.849 tors. eta vs tors. theta energy: -145.636 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: 5, replica: 3 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1682.952502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.952502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.952502 (E_RNA) where: Base-Base interactions energy: -996.463 where: short stacking energy: -520.418 Base-Backbone interact. energy: 0.450 local terms energy: -686.939429 where: bonds (distance) C4'-P energy: -150.096 bonds (distance) P-C4' energy: -158.422 flat angles C4'-P-C4' energy: -150.980 flat angles P-C4'-P energy: -100.946 tors. eta vs tors. theta energy: -126.496 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: 6, replica: 4 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1583.004221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.004221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.004221 (E_RNA) where: Base-Base interactions energy: -969.520 where: short stacking energy: -491.654 Base-Backbone interact. energy: -0.659 local terms energy: -612.825366 where: bonds (distance) C4'-P energy: -129.449 bonds (distance) P-C4' energy: -145.267 flat angles C4'-P-C4' energy: -152.522 flat angles P-C4'-P energy: -102.863 tors. eta vs tors. theta energy: -82.724 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: 7, replica: 5 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -1550.788776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.788776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.788776 (E_RNA) where: Base-Base interactions energy: -944.617 where: short stacking energy: -482.368 Base-Backbone interact. energy: -4.364 local terms energy: -601.807297 where: bonds (distance) C4'-P energy: -140.609 bonds (distance) P-C4' energy: -117.814 flat angles C4'-P-C4' energy: -162.208 flat angles P-C4'-P energy: -88.876 tors. eta vs tors. theta energy: -92.300 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: 1 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -1174.268968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.268968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.268968 (E_RNA) where: Base-Base interactions energy: -711.021 where: short stacking energy: -365.348 Base-Backbone interact. energy: -2.131 local terms energy: -461.117366 where: bonds (distance) C4'-P energy: -101.095 bonds (distance) P-C4' energy: -132.835 flat angles C4'-P-C4' energy: -113.804 flat angles P-C4'-P energy: -78.801 tors. eta vs tors. theta energy: -34.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -949.137235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.137235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.137235 (E_RNA) where: Base-Base interactions energy: -488.118 where: short stacking energy: -274.413 Base-Backbone interact. energy: -0.755 local terms energy: -460.264280 where: bonds (distance) C4'-P energy: -124.441 bonds (distance) P-C4' energy: -129.543 flat angles C4'-P-C4' energy: -125.341 flat angles P-C4'-P energy: -69.321 tors. eta vs tors. theta energy: -11.618 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: 10, replica: 6 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -859.449423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.449423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.449423 (E_RNA) where: Base-Base interactions energy: -411.324 where: short stacking energy: -223.590 Base-Backbone interact. energy: 4.111 local terms energy: -452.236239 where: bonds (distance) C4'-P energy: -140.742 bonds (distance) P-C4' energy: -146.052 flat angles C4'-P-C4' energy: -104.812 flat angles P-C4'-P energy: -59.541 tors. eta vs tors. theta energy: -1.089 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: 10 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -2406.753993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.753993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.753993 (E_RNA) where: Base-Base interactions energy: -1605.723 where: short stacking energy: -744.853 Base-Backbone interact. energy: -2.199 local terms energy: -798.831665 where: bonds (distance) C4'-P energy: -148.902 bonds (distance) P-C4' energy: -162.801 flat angles C4'-P-C4' energy: -172.978 flat angles P-C4'-P energy: -115.277 tors. eta vs tors. theta energy: -198.874 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: 8 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -2285.591435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.591435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.591435 (E_RNA) where: Base-Base interactions energy: -1504.868 where: short stacking energy: -666.586 Base-Backbone interact. energy: -2.965 local terms energy: -777.758731 where: bonds (distance) C4'-P energy: -163.344 bonds (distance) P-C4' energy: -167.208 flat angles C4'-P-C4' energy: -163.752 flat angles P-C4'-P energy: -105.897 tors. eta vs tors. theta energy: -177.558 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: 7 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -2188.151816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.151816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.151816 (E_RNA) where: Base-Base interactions energy: -1409.270 where: short stacking energy: -686.856 Base-Backbone interact. energy: 0.392 local terms energy: -779.274470 where: bonds (distance) C4'-P energy: -156.900 bonds (distance) P-C4' energy: -169.699 flat angles C4'-P-C4' energy: -170.416 flat angles P-C4'-P energy: -104.361 tors. eta vs tors. theta energy: -177.898 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: 2 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1856.694849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.694849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.694849 (E_RNA) where: Base-Base interactions energy: -1151.279 where: short stacking energy: -554.014 Base-Backbone interact. energy: -3.510 local terms energy: -701.905787 where: bonds (distance) C4'-P energy: -144.311 bonds (distance) P-C4' energy: -165.678 flat angles C4'-P-C4' energy: -161.938 flat angles P-C4'-P energy: -98.545 tors. eta vs tors. theta energy: -131.434 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: 5, replica: 3 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1674.351048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.351048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.351048 (E_RNA) where: Base-Base interactions energy: -1019.336 where: short stacking energy: -589.888 Base-Backbone interact. energy: -1.474 local terms energy: -653.541200 where: bonds (distance) C4'-P energy: -140.832 bonds (distance) P-C4' energy: -144.465 flat angles C4'-P-C4' energy: -151.446 flat angles P-C4'-P energy: -81.457 tors. eta vs tors. theta energy: -135.342 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: 6, replica: 4 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1635.359675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.359675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.359675 (E_RNA) where: Base-Base interactions energy: -1015.558 where: short stacking energy: -499.231 Base-Backbone interact. energy: 5.008 local terms energy: -624.809224 where: bonds (distance) C4'-P energy: -139.621 bonds (distance) P-C4' energy: -149.243 flat angles C4'-P-C4' energy: -142.211 flat angles P-C4'-P energy: -90.404 tors. eta vs tors. theta energy: -103.332 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: 7, replica: 5 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1517.386017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.386017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.386017 (E_RNA) where: Base-Base interactions energy: -901.623 where: short stacking energy: -455.421 Base-Backbone interact. energy: 0.859 local terms energy: -616.621851 where: bonds (distance) C4'-P energy: -140.260 bonds (distance) P-C4' energy: -145.821 flat angles C4'-P-C4' energy: -145.961 flat angles P-C4'-P energy: -79.678 tors. eta vs tors. theta energy: -104.901 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: 1 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -1232.365365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.365365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.365365 (E_RNA) where: Base-Base interactions energy: -731.907 where: short stacking energy: -348.169 Base-Backbone interact. energy: -1.719 local terms energy: -498.739676 where: bonds (distance) C4'-P energy: -118.625 bonds (distance) P-C4' energy: -134.657 flat angles C4'-P-C4' energy: -128.572 flat angles P-C4'-P energy: -71.985 tors. eta vs tors. theta energy: -44.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -896.189575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.189575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.189575 (E_RNA) where: Base-Base interactions energy: -456.586 where: short stacking energy: -260.675 Base-Backbone interact. energy: -2.587 local terms energy: -437.017088 where: bonds (distance) C4'-P energy: -114.311 bonds (distance) P-C4' energy: -141.518 flat angles C4'-P-C4' energy: -130.270 flat angles P-C4'-P energy: -60.816 tors. eta vs tors. theta energy: 9.899 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: 10, replica: 6 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -820.676724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.676724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.676724 (E_RNA) where: Base-Base interactions energy: -412.498 where: short stacking energy: -236.114 Base-Backbone interact. energy: -1.124 local terms energy: -407.055368 where: bonds (distance) C4'-P energy: -112.021 bonds (distance) P-C4' energy: -132.845 flat angles C4'-P-C4' energy: -141.059 flat angles P-C4'-P energy: -39.847 tors. eta vs tors. theta energy: 18.718 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: 10 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -2399.185437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.185437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.185437 (E_RNA) where: Base-Base interactions energy: -1587.794 where: short stacking energy: -786.431 Base-Backbone interact. energy: -5.398 local terms energy: -805.993611 where: bonds (distance) C4'-P energy: -150.640 bonds (distance) P-C4' energy: -167.629 flat angles C4'-P-C4' energy: -172.009 flat angles P-C4'-P energy: -115.653 tors. eta vs tors. theta energy: -200.063 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: 2, replica: 8 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -2337.553249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.553249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.553249 (E_RNA) where: Base-Base interactions energy: -1555.768 where: short stacking energy: -755.570 Base-Backbone interact. energy: -4.779 local terms energy: -777.006543 where: bonds (distance) C4'-P energy: -144.491 bonds (distance) P-C4' energy: -147.162 flat angles C4'-P-C4' energy: -181.680 flat angles P-C4'-P energy: -102.370 tors. eta vs tors. theta energy: -201.303 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: 7 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -2189.080670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.080670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.080670 (E_RNA) where: Base-Base interactions energy: -1434.708 where: short stacking energy: -717.297 Base-Backbone interact. energy: -4.158 local terms energy: -750.215479 where: bonds (distance) C4'-P energy: -142.744 bonds (distance) P-C4' energy: -141.984 flat angles C4'-P-C4' energy: -175.912 flat angles P-C4'-P energy: -98.738 tors. eta vs tors. theta energy: -190.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1888.781333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.781333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.781333 (E_RNA) where: Base-Base interactions energy: -1178.717 where: short stacking energy: -603.459 Base-Backbone interact. energy: -1.447 local terms energy: -708.616778 where: bonds (distance) C4'-P energy: -140.675 bonds (distance) P-C4' energy: -154.139 flat angles C4'-P-C4' energy: -160.123 flat angles P-C4'-P energy: -121.227 tors. eta vs tors. theta energy: -132.453 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: 3 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1688.275781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.275781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.275781 (E_RNA) where: Base-Base interactions energy: -1032.454 where: short stacking energy: -515.383 Base-Backbone interact. energy: 3.621 local terms energy: -659.442772 where: bonds (distance) C4'-P energy: -131.637 bonds (distance) P-C4' energy: -150.894 flat angles C4'-P-C4' energy: -160.927 flat angles P-C4'-P energy: -105.189 tors. eta vs tors. theta energy: -110.795 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: 4 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1533.336383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.336383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.336383 (E_RNA) where: Base-Base interactions energy: -915.781 where: short stacking energy: -483.537 Base-Backbone interact. energy: -4.196 local terms energy: -613.359507 where: bonds (distance) C4'-P energy: -134.600 bonds (distance) P-C4' energy: -144.738 flat angles C4'-P-C4' energy: -138.141 flat angles P-C4'-P energy: -104.694 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: 7, replica: 5 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1420.784703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.784703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.784703 (E_RNA) where: Base-Base interactions energy: -850.205 where: short stacking energy: -432.052 Base-Backbone interact. energy: -3.129 local terms energy: -567.451019 where: bonds (distance) C4'-P energy: -134.254 bonds (distance) P-C4' energy: -130.285 flat angles C4'-P-C4' energy: -132.757 flat angles P-C4'-P energy: -98.209 tors. eta vs tors. theta energy: -71.945 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: 8, replica: 1 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -1200.955138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.955138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.955138 (E_RNA) where: Base-Base interactions energy: -662.370 where: short stacking energy: -359.134 Base-Backbone interact. energy: 2.629 local terms energy: -541.214534 where: bonds (distance) C4'-P energy: -146.096 bonds (distance) P-C4' energy: -147.570 flat angles C4'-P-C4' energy: -106.115 flat angles P-C4'-P energy: -87.080 tors. eta vs tors. theta energy: -54.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -944.778426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.778426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.778426 (E_RNA) where: Base-Base interactions energy: -493.422 where: short stacking energy: -306.444 Base-Backbone interact. energy: 10.731 local terms energy: -462.086931 where: bonds (distance) C4'-P energy: -131.066 bonds (distance) P-C4' energy: -131.983 flat angles C4'-P-C4' energy: -108.985 flat angles P-C4'-P energy: -72.896 tors. eta vs tors. theta energy: -17.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -949.554764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.554764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.554764 (E_RNA) where: Base-Base interactions energy: -518.986 where: short stacking energy: -284.648 Base-Backbone interact. energy: -3.472 local terms energy: -427.097053 where: bonds (distance) C4'-P energy: -94.454 bonds (distance) P-C4' energy: -146.763 flat angles C4'-P-C4' energy: -94.105 flat angles P-C4'-P energy: -78.614 tors. eta vs tors. theta energy: -13.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -2432.487198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.487198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.487198 (E_RNA) where: Base-Base interactions energy: -1572.323 where: short stacking energy: -778.229 Base-Backbone interact. energy: -5.735 local terms energy: -854.428946 where: bonds (distance) C4'-P energy: -164.206 bonds (distance) P-C4' energy: -171.909 flat angles C4'-P-C4' energy: -184.390 flat angles P-C4'-P energy: -131.151 tors. eta vs tors. theta energy: -202.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -2435.131573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.131573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.131573 (E_RNA) where: Base-Base interactions energy: -1633.430 where: short stacking energy: -719.414 Base-Backbone interact. energy: -2.977 local terms energy: -798.723982 where: bonds (distance) C4'-P energy: -142.650 bonds (distance) P-C4' energy: -162.504 flat angles C4'-P-C4' energy: -179.986 flat angles P-C4'-P energy: -109.526 tors. eta vs tors. theta energy: -204.057 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: 3, replica: 7 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -2188.653532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.653532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.653532 (E_RNA) where: Base-Base interactions energy: -1434.062 where: short stacking energy: -674.166 Base-Backbone interact. energy: -3.609 local terms energy: -750.982499 where: bonds (distance) C4'-P energy: -147.497 bonds (distance) P-C4' energy: -160.106 flat angles C4'-P-C4' energy: -170.582 flat angles P-C4'-P energy: -99.087 tors. eta vs tors. theta energy: -173.711 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: 35 Temperature: 1.050000 Total energy: -1852.894786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.894786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.894786 (E_RNA) where: Base-Base interactions energy: -1180.460 where: short stacking energy: -622.000 Base-Backbone interact. energy: -1.990 local terms energy: -670.445263 where: bonds (distance) C4'-P energy: -146.027 bonds (distance) P-C4' energy: -148.470 flat angles C4'-P-C4' energy: -142.626 flat angles P-C4'-P energy: -91.981 tors. eta vs tors. theta energy: -141.341 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: 3 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1709.182153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.182153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.182153 (E_RNA) where: Base-Base interactions energy: -1070.458 where: short stacking energy: -551.139 Base-Backbone interact. energy: 1.912 local terms energy: -640.636040 where: bonds (distance) C4'-P energy: -131.317 bonds (distance) P-C4' energy: -141.933 flat angles C4'-P-C4' energy: -153.097 flat angles P-C4'-P energy: -96.942 tors. eta vs tors. theta energy: -117.347 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: 4 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1545.321279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.321279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.321279 (E_RNA) where: Base-Base interactions energy: -964.028 where: short stacking energy: -469.120 Base-Backbone interact. energy: 1.234 local terms energy: -582.527428 where: bonds (distance) C4'-P energy: -142.234 bonds (distance) P-C4' energy: -136.108 flat angles C4'-P-C4' energy: -134.111 flat angles P-C4'-P energy: -74.524 tors. eta vs tors. theta energy: -95.551 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: 7, replica: 5 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1484.193585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.193585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.193585 (E_RNA) where: Base-Base interactions energy: -899.119 where: short stacking energy: -439.224 Base-Backbone interact. energy: 1.924 local terms energy: -586.999482 where: bonds (distance) C4'-P energy: -130.003 bonds (distance) P-C4' energy: -142.662 flat angles C4'-P-C4' energy: -160.409 flat angles P-C4'-P energy: -87.085 tors. eta vs tors. theta energy: -66.840 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: 8, replica: 1 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -1253.784352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.784352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.784352 (E_RNA) where: Base-Base interactions energy: -717.733 where: short stacking energy: -357.946 Base-Backbone interact. energy: -1.480 local terms energy: -534.570612 where: bonds (distance) C4'-P energy: -131.798 bonds (distance) P-C4' energy: -136.062 flat angles C4'-P-C4' energy: -122.656 flat angles P-C4'-P energy: -84.993 tors. eta vs tors. theta energy: -59.062 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: 35 Temperature: 1.300000 Total energy: -1020.893414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.893414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.893414 (E_RNA) where: Base-Base interactions energy: -563.553 where: short stacking energy: -302.435 Base-Backbone interact. energy: -0.687 local terms energy: -456.653563 where: bonds (distance) C4'-P energy: -126.509 bonds (distance) P-C4' energy: -133.335 flat angles C4'-P-C4' energy: -118.411 flat angles P-C4'-P energy: -64.560 tors. eta vs tors. theta energy: -13.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -906.941678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.941678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.941678 (E_RNA) where: Base-Base interactions energy: -477.078 where: short stacking energy: -282.684 Base-Backbone interact. energy: 1.837 local terms energy: -431.701046 where: bonds (distance) C4'-P energy: -109.417 bonds (distance) P-C4' energy: -122.805 flat angles C4'-P-C4' energy: -123.135 flat angles P-C4'-P energy: -71.741 tors. eta vs tors. theta energy: -4.604 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: 10 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -2446.114624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.114624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.114624 (E_RNA) where: Base-Base interactions energy: -1642.217 where: short stacking energy: -765.985 Base-Backbone interact. energy: -1.011 local terms energy: -802.886742 where: bonds (distance) C4'-P energy: -156.667 bonds (distance) P-C4' energy: -164.625 flat angles C4'-P-C4' energy: -177.389 flat angles P-C4'-P energy: -112.877 tors. eta vs tors. theta energy: -191.328 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: 8 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -2420.307183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.307183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.307183 (E_RNA) where: Base-Base interactions energy: -1646.743 where: short stacking energy: -728.613 Base-Backbone interact. energy: -3.300 local terms energy: -770.264603 where: bonds (distance) C4'-P energy: -143.123 bonds (distance) P-C4' energy: -158.957 flat angles C4'-P-C4' energy: -176.368 flat angles P-C4'-P energy: -99.038 tors. eta vs tors. theta energy: -192.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -2183.526309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.526309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.526309 (E_RNA) where: Base-Base interactions energy: -1409.593 where: short stacking energy: -670.721 Base-Backbone interact. energy: -3.756 local terms energy: -770.177275 where: bonds (distance) C4'-P energy: -159.714 bonds (distance) P-C4' energy: -154.095 flat angles C4'-P-C4' energy: -174.289 flat angles P-C4'-P energy: -108.643 tors. eta vs tors. theta energy: -173.437 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: 4, replica: 2 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1954.920616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.920616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.920616 (E_RNA) where: Base-Base interactions energy: -1228.841 where: short stacking energy: -632.875 Base-Backbone interact. energy: -3.248 local terms energy: -722.831138 where: bonds (distance) C4'-P energy: -150.435 bonds (distance) P-C4' energy: -147.995 flat angles C4'-P-C4' energy: -161.320 flat angles P-C4'-P energy: -102.562 tors. eta vs tors. theta energy: -160.520 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: 4 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1740.753744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.753744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.753744 (E_RNA) where: Base-Base interactions energy: -1080.434 where: short stacking energy: -553.244 Base-Backbone interact. energy: -0.489 local terms energy: -659.831519 where: bonds (distance) C4'-P energy: -155.473 bonds (distance) P-C4' energy: -135.015 flat angles C4'-P-C4' energy: -156.824 flat angles P-C4'-P energy: -77.957 tors. eta vs tors. theta energy: -134.563 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: 6, replica: 3 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1606.985604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.985604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.985604 (E_RNA) where: Base-Base interactions energy: -987.949 where: short stacking energy: -476.913 Base-Backbone interact. energy: -1.901 local terms energy: -617.135756 where: bonds (distance) C4'-P energy: -147.809 bonds (distance) P-C4' energy: -141.673 flat angles C4'-P-C4' energy: -131.593 flat angles P-C4'-P energy: -76.675 tors. eta vs tors. theta energy: -119.386 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: 7, replica: 5 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1500.347837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.347837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.347837 (E_RNA) where: Base-Base interactions energy: -930.628 where: short stacking energy: -443.352 Base-Backbone interact. energy: 2.778 local terms energy: -572.497788 where: bonds (distance) C4'-P energy: -117.482 bonds (distance) P-C4' energy: -158.492 flat angles C4'-P-C4' energy: -113.108 flat angles P-C4'-P energy: -100.868 tors. eta vs tors. theta energy: -82.547 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: 8, replica: 1 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -1198.979973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.979973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.979973 (E_RNA) where: Base-Base interactions energy: -679.130 where: short stacking energy: -338.701 Base-Backbone interact. energy: -1.162 local terms energy: -518.688141 where: bonds (distance) C4'-P energy: -144.998 bonds (distance) P-C4' energy: -146.193 flat angles C4'-P-C4' energy: -125.680 flat angles P-C4'-P energy: -62.400 tors. eta vs tors. theta energy: -39.417 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: 6 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -992.830788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.830788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.830788 (E_RNA) where: Base-Base interactions energy: -542.138 where: short stacking energy: -288.443 Base-Backbone interact. energy: 2.101 local terms energy: -452.793614 where: bonds (distance) C4'-P energy: -116.934 bonds (distance) P-C4' energy: -156.095 flat angles C4'-P-C4' energy: -118.964 flat angles P-C4'-P energy: -49.087 tors. eta vs tors. theta energy: -11.714 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: 9 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -1026.633584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.633584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.633584 (E_RNA) where: Base-Base interactions energy: -567.345 where: short stacking energy: -274.029 Base-Backbone interact. energy: -1.527 local terms energy: -457.760948 where: bonds (distance) C4'-P energy: -132.266 bonds (distance) P-C4' energy: -136.739 flat angles C4'-P-C4' energy: -97.644 flat angles P-C4'-P energy: -70.995 tors. eta vs tors. theta energy: -20.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -2428.336137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.336137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.336137 (E_RNA) where: Base-Base interactions energy: -1628.557 where: short stacking energy: -803.747 Base-Backbone interact. energy: -3.881 local terms energy: -795.898661 where: bonds (distance) C4'-P energy: -152.949 bonds (distance) P-C4' energy: -147.568 flat angles C4'-P-C4' energy: -174.691 flat angles P-C4'-P energy: -107.127 tors. eta vs tors. theta energy: -213.564 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: 2, replica: 8 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -2474.393489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.393489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.393489 (E_RNA) where: Base-Base interactions energy: -1668.651 where: short stacking energy: -746.901 Base-Backbone interact. energy: -2.867 local terms energy: -802.875339 where: bonds (distance) C4'-P energy: -159.224 bonds (distance) P-C4' energy: -149.483 flat angles C4'-P-C4' energy: -176.133 flat angles P-C4'-P energy: -122.900 tors. eta vs tors. theta energy: -195.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -2194.624094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.624094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.624094 (E_RNA) where: Base-Base interactions energy: -1391.941 where: short stacking energy: -709.707 Base-Backbone interact. energy: -1.754 local terms energy: -800.929050 where: bonds (distance) C4'-P energy: -134.949 bonds (distance) P-C4' energy: -170.944 flat angles C4'-P-C4' energy: -192.085 flat angles P-C4'-P energy: -118.440 tors. eta vs tors. theta energy: -184.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1964.563699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.563699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.563699 (E_RNA) where: Base-Base interactions energy: -1261.314 where: short stacking energy: -590.863 Base-Backbone interact. energy: -3.273 local terms energy: -699.976061 where: bonds (distance) C4'-P energy: -152.097 bonds (distance) P-C4' energy: -161.933 flat angles C4'-P-C4' energy: -155.657 flat angles P-C4'-P energy: -95.161 tors. eta vs tors. theta energy: -135.128 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: 5, replica: 4 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1765.272718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.272718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.272718 (E_RNA) where: Base-Base interactions energy: -1136.312 where: short stacking energy: -557.050 Base-Backbone interact. energy: -6.776 local terms energy: -622.184656 where: bonds (distance) C4'-P energy: -147.898 bonds (distance) P-C4' energy: -142.018 flat angles C4'-P-C4' energy: -159.413 flat angles P-C4'-P energy: -74.802 tors. eta vs tors. theta energy: -98.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1570.301629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.301629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.301629 (E_RNA) where: Base-Base interactions energy: -959.850 where: short stacking energy: -484.929 Base-Backbone interact. energy: 1.796 local terms energy: -612.247516 where: bonds (distance) C4'-P energy: -135.005 bonds (distance) P-C4' energy: -143.171 flat angles C4'-P-C4' energy: -141.437 flat angles P-C4'-P energy: -85.642 tors. eta vs tors. theta energy: -106.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1537.272288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.272288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.272288 (E_RNA) where: Base-Base interactions energy: -951.950 where: short stacking energy: -483.853 Base-Backbone interact. energy: -0.107 local terms energy: -585.215778 where: bonds (distance) C4'-P energy: -136.488 bonds (distance) P-C4' energy: -141.939 flat angles C4'-P-C4' energy: -118.616 flat angles P-C4'-P energy: -85.791 tors. eta vs tors. theta energy: -102.381 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: 1 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -1197.933865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.933865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.933865 (E_RNA) where: Base-Base interactions energy: -679.060 where: short stacking energy: -338.632 Base-Backbone interact. energy: -1.150 local terms energy: -517.723194 where: bonds (distance) C4'-P energy: -144.604 bonds (distance) P-C4' energy: -145.960 flat angles C4'-P-C4' energy: -126.004 flat angles P-C4'-P energy: -62.187 tors. eta vs tors. theta energy: -38.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -954.890907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.890907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.890907 (E_RNA) where: Base-Base interactions energy: -480.428 where: short stacking energy: -312.539 Base-Backbone interact. energy: 4.211 local terms energy: -478.674065 where: bonds (distance) C4'-P energy: -121.779 bonds (distance) P-C4' energy: -137.671 flat angles C4'-P-C4' energy: -134.082 flat angles P-C4'-P energy: -64.926 tors. eta vs tors. theta energy: -20.216 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: 10, replica: 9 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -945.497465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.497465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.497465 (E_RNA) where: Base-Base interactions energy: -497.052 where: short stacking energy: -277.723 Base-Backbone interact. energy: -0.359 local terms energy: -448.085896 where: bonds (distance) C4'-P energy: -110.674 bonds (distance) P-C4' energy: -135.652 flat angles C4'-P-C4' energy: -123.238 flat angles P-C4'-P energy: -77.093 tors. eta vs tors. theta energy: -1.430 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: 1, replica: 8 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -2566.294352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.294352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.294352 (E_RNA) where: Base-Base interactions energy: -1720.856 where: short stacking energy: -777.919 Base-Backbone interact. energy: -4.974 local terms energy: -840.463899 where: bonds (distance) C4'-P energy: -154.458 bonds (distance) P-C4' energy: -174.192 flat angles C4'-P-C4' energy: -172.806 flat angles P-C4'-P energy: -119.045 tors. eta vs tors. theta energy: -219.962 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: 10 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -2383.351392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.351392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.351392 (E_RNA) where: Base-Base interactions energy: -1565.597 where: short stacking energy: -764.271 Base-Backbone interact. energy: -2.699 local terms energy: -815.054639 where: bonds (distance) C4'-P energy: -149.489 bonds (distance) P-C4' energy: -159.307 flat angles C4'-P-C4' energy: -184.465 flat angles P-C4'-P energy: -116.053 tors. eta vs tors. theta energy: -205.741 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: 7 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -2212.192586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.192586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.192586 (E_RNA) where: Base-Base interactions energy: -1454.692 where: short stacking energy: -699.278 Base-Backbone interact. energy: -2.056 local terms energy: -755.444684 where: bonds (distance) C4'-P energy: -155.415 bonds (distance) P-C4' energy: -168.167 flat angles C4'-P-C4' energy: -161.888 flat angles P-C4'-P energy: -99.970 tors. eta vs tors. theta energy: -170.006 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: 4, replica: 2 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1908.243347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.243347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.243347 (E_RNA) where: Base-Base interactions energy: -1187.387 where: short stacking energy: -587.354 Base-Backbone interact. energy: -2.735 local terms energy: -718.121640 where: bonds (distance) C4'-P energy: -151.218 bonds (distance) P-C4' energy: -166.260 flat angles C4'-P-C4' energy: -173.628 flat angles P-C4'-P energy: -106.680 tors. eta vs tors. theta energy: -120.336 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: 5, replica: 4 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1761.960199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.960199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.960199 (E_RNA) where: Base-Base interactions energy: -1104.865 where: short stacking energy: -542.810 Base-Backbone interact. energy: 0.000 local terms energy: -657.095120 where: bonds (distance) C4'-P energy: -145.012 bonds (distance) P-C4' energy: -145.972 flat angles C4'-P-C4' energy: -159.910 flat angles P-C4'-P energy: -86.412 tors. eta vs tors. theta energy: -119.789 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: 6, replica: 3 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1528.766866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.766866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.766866 (E_RNA) where: Base-Base interactions energy: -922.174 where: short stacking energy: -474.765 Base-Backbone interact. energy: 2.437 local terms energy: -609.029901 where: bonds (distance) C4'-P energy: -155.316 bonds (distance) P-C4' energy: -141.296 flat angles C4'-P-C4' energy: -129.693 flat angles P-C4'-P energy: -94.612 tors. eta vs tors. theta energy: -88.113 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: 38 Temperature: 1.200000 Total energy: -1505.739898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.739898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.739898 (E_RNA) where: Base-Base interactions energy: -939.816 where: short stacking energy: -476.754 Base-Backbone interact. energy: -0.825 local terms energy: -565.098560 where: bonds (distance) C4'-P energy: -128.163 bonds (distance) P-C4' energy: -140.053 flat angles C4'-P-C4' energy: -123.691 flat angles P-C4'-P energy: -85.999 tors. eta vs tors. theta energy: -87.193 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: 1 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -1176.205159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.205159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.205159 (E_RNA) where: Base-Base interactions energy: -677.661 where: short stacking energy: -400.064 Base-Backbone interact. energy: 0.892 local terms energy: -499.435978 where: bonds (distance) C4'-P energy: -119.542 bonds (distance) P-C4' energy: -131.523 flat angles C4'-P-C4' energy: -129.433 flat angles P-C4'-P energy: -78.868 tors. eta vs tors. theta energy: -40.070 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: 9, replica: 9 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -990.098867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.098867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.098867 (E_RNA) where: Base-Base interactions energy: -488.206 where: short stacking energy: -287.178 Base-Backbone interact. energy: 3.006 local terms energy: -504.899482 where: bonds (distance) C4'-P energy: -131.206 bonds (distance) P-C4' energy: -146.840 flat angles C4'-P-C4' energy: -128.814 flat angles P-C4'-P energy: -83.866 tors. eta vs tors. theta energy: -14.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -893.230504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.230504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.230504 (E_RNA) where: Base-Base interactions energy: -475.158 where: short stacking energy: -250.238 Base-Backbone interact. energy: 1.577 local terms energy: -419.649865 where: bonds (distance) C4'-P energy: -141.676 bonds (distance) P-C4' energy: -130.109 flat angles C4'-P-C4' energy: -102.532 flat angles P-C4'-P energy: -49.042 tors. eta vs tors. theta energy: 3.709 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: 39 Temperature: 0.900000 Total energy: -2607.047199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.047199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.047199 (E_RNA) where: Base-Base interactions energy: -1777.135 where: short stacking energy: -770.831 Base-Backbone interact. energy: -4.120 local terms energy: -825.792302 where: bonds (distance) C4'-P energy: -159.932 bonds (distance) P-C4' energy: -164.514 flat angles C4'-P-C4' energy: -166.976 flat angles P-C4'-P energy: -122.051 tors. eta vs tors. theta energy: -212.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -2371.662272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.662272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.662272 (E_RNA) where: Base-Base interactions energy: -1552.134 where: short stacking energy: -782.092 Base-Backbone interact. energy: -0.025 local terms energy: -819.503136 where: bonds (distance) C4'-P energy: -160.749 bonds (distance) P-C4' energy: -156.865 flat angles C4'-P-C4' energy: -180.592 flat angles P-C4'-P energy: -111.443 tors. eta vs tors. theta energy: -209.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -2225.476748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.476748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.476748 (E_RNA) where: Base-Base interactions energy: -1437.312 where: short stacking energy: -697.363 Base-Backbone interact. energy: 3.506 local terms energy: -791.670608 where: bonds (distance) C4'-P energy: -147.878 bonds (distance) P-C4' energy: -160.708 flat angles C4'-P-C4' energy: -174.810 flat angles P-C4'-P energy: -117.338 tors. eta vs tors. theta energy: -190.938 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: 2 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1929.438485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.438485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.438485 (E_RNA) where: Base-Base interactions energy: -1253.413 where: short stacking energy: -610.750 Base-Backbone interact. energy: -1.844 local terms energy: -674.181189 where: bonds (distance) C4'-P energy: -130.393 bonds (distance) P-C4' energy: -156.077 flat angles C4'-P-C4' energy: -156.554 flat angles P-C4'-P energy: -94.882 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: 5, replica: 4 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1780.659508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.659508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.659508 (E_RNA) where: Base-Base interactions energy: -1163.244 where: short stacking energy: -579.152 Base-Backbone interact. energy: -1.866 local terms energy: -615.549237 where: bonds (distance) C4'-P energy: -128.444 bonds (distance) P-C4' energy: -119.017 flat angles C4'-P-C4' energy: -154.033 flat angles P-C4'-P energy: -93.944 tors. eta vs tors. theta energy: -120.111 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: 6, replica: 3 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1548.582940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.582940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.582940 (E_RNA) where: Base-Base interactions energy: -951.513 where: short stacking energy: -479.127 Base-Backbone interact. energy: -0.879 local terms energy: -596.191312 where: bonds (distance) C4'-P energy: -144.179 bonds (distance) P-C4' energy: -127.143 flat angles C4'-P-C4' energy: -143.778 flat angles P-C4'-P energy: -83.840 tors. eta vs tors. theta energy: -97.251 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: 7, replica: 5 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1516.382610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.382610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.382610 (E_RNA) where: Base-Base interactions energy: -967.111 where: short stacking energy: -435.960 Base-Backbone interact. energy: 0.977 local terms energy: -550.249549 where: bonds (distance) C4'-P energy: -124.023 bonds (distance) P-C4' energy: -143.511 flat angles C4'-P-C4' energy: -132.131 flat angles P-C4'-P energy: -83.347 tors. eta vs tors. theta energy: -67.237 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: 39 Temperature: 1.250000 Total energy: -1091.585458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.585458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.585458 (E_RNA) where: Base-Base interactions energy: -579.224 where: short stacking energy: -312.602 Base-Backbone interact. energy: -0.559 local terms energy: -511.802695 where: bonds (distance) C4'-P energy: -129.369 bonds (distance) P-C4' energy: -131.886 flat angles C4'-P-C4' energy: -155.290 flat angles P-C4'-P energy: -67.675 tors. eta vs tors. theta energy: -27.583 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: 9, replica: 1 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -1087.052514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.052514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.052514 (E_RNA) where: Base-Base interactions energy: -588.775 where: short stacking energy: -297.670 Base-Backbone interact. energy: -3.466 local terms energy: -494.811772 where: bonds (distance) C4'-P energy: -147.333 bonds (distance) P-C4' energy: -124.553 flat angles C4'-P-C4' energy: -109.463 flat angles P-C4'-P energy: -84.855 tors. eta vs tors. theta energy: -28.608 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: 6 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -906.009138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.009138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.009138 (E_RNA) where: Base-Base interactions energy: -461.475 where: short stacking energy: -308.269 Base-Backbone interact. energy: 1.212 local terms energy: -445.745770 where: bonds (distance) C4'-P energy: -119.620 bonds (distance) P-C4' energy: -131.537 flat angles C4'-P-C4' energy: -106.254 flat angles P-C4'-P energy: -64.934 tors. eta vs tors. theta energy: -23.402 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: 8 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -2615.066050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.066050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.066050 (E_RNA) where: Base-Base interactions energy: -1775.775 where: short stacking energy: -793.655 Base-Backbone interact. energy: -5.195 local terms energy: -834.096095 where: bonds (distance) C4'-P energy: -166.119 bonds (distance) P-C4' energy: -160.210 flat angles C4'-P-C4' energy: -178.920 flat angles P-C4'-P energy: -127.063 tors. eta vs tors. theta energy: -201.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -2380.214314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.214314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.214314 (E_RNA) where: Base-Base interactions energy: -1544.987 where: short stacking energy: -744.609 Base-Backbone interact. energy: -3.881 local terms energy: -831.346661 where: bonds (distance) C4'-P energy: -158.754 bonds (distance) P-C4' energy: -161.214 flat angles C4'-P-C4' energy: -177.296 flat angles P-C4'-P energy: -121.156 tors. eta vs tors. theta energy: -212.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -2223.734520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.734520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.734520 (E_RNA) where: Base-Base interactions energy: -1454.607 where: short stacking energy: -691.371 Base-Backbone interact. energy: 1.834 local terms energy: -770.961687 where: bonds (distance) C4'-P energy: -158.288 bonds (distance) P-C4' energy: -158.243 flat angles C4'-P-C4' energy: -178.170 flat angles P-C4'-P energy: -108.526 tors. eta vs tors. theta energy: -167.734 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: 4, replica: 2 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1932.898624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.898624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.898624 (E_RNA) where: Base-Base interactions energy: -1250.917 where: short stacking energy: -587.971 Base-Backbone interact. energy: -4.336 local terms energy: -677.645689 where: bonds (distance) C4'-P energy: -144.712 bonds (distance) P-C4' energy: -155.933 flat angles C4'-P-C4' energy: -143.624 flat angles P-C4'-P energy: -94.330 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: 5, replica: 4 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1843.792394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.792394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.792394 (E_RNA) where: Base-Base interactions energy: -1167.838 where: short stacking energy: -571.191 Base-Backbone interact. energy: 0.352 local terms energy: -676.306575 where: bonds (distance) C4'-P energy: -152.067 bonds (distance) P-C4' energy: -128.709 flat angles C4'-P-C4' energy: -162.548 flat angles P-C4'-P energy: -100.212 tors. eta vs tors. theta energy: -132.770 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: 6, replica: 3 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1604.771562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.771562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.771562 (E_RNA) where: Base-Base interactions energy: -994.885 where: short stacking energy: -517.405 Base-Backbone interact. energy: -0.477 local terms energy: -609.409615 where: bonds (distance) C4'-P energy: -125.760 bonds (distance) P-C4' energy: -144.343 flat angles C4'-P-C4' energy: -144.768 flat angles P-C4'-P energy: -92.716 tors. eta vs tors. theta energy: -101.823 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: 7, replica: 5 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1578.012015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.012015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.012015 (E_RNA) where: Base-Base interactions energy: -977.461 where: short stacking energy: -483.430 Base-Backbone interact. energy: 5.091 local terms energy: -605.641087 where: bonds (distance) C4'-P energy: -135.103 bonds (distance) P-C4' energy: -143.218 flat angles C4'-P-C4' energy: -139.560 flat angles P-C4'-P energy: -76.021 tors. eta vs tors. theta energy: -111.739 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: 40 Temperature: 1.250000 Total energy: -1121.807554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.807554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.807554 (E_RNA) where: Base-Base interactions energy: -594.399 where: short stacking energy: -340.658 Base-Backbone interact. energy: 0.423 local terms energy: -527.831779 where: bonds (distance) C4'-P energy: -129.297 bonds (distance) P-C4' energy: -133.553 flat angles C4'-P-C4' energy: -138.747 flat angles P-C4'-P energy: -88.799 tors. eta vs tors. theta energy: -37.437 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: 1 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -1009.298237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.298237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.298237 (E_RNA) where: Base-Base interactions energy: -556.162 where: short stacking energy: -304.265 Base-Backbone interact. energy: 15.026 local terms energy: -468.162292 where: bonds (distance) C4'-P energy: -111.184 bonds (distance) P-C4' energy: -141.984 flat angles C4'-P-C4' energy: -108.123 flat angles P-C4'-P energy: -67.439 tors. eta vs tors. theta energy: -39.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -896.761223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.761223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.761223 (E_RNA) where: Base-Base interactions energy: -462.350 where: short stacking energy: -290.685 Base-Backbone interact. energy: 11.658 local terms energy: -446.068852 where: bonds (distance) C4'-P energy: -135.401 bonds (distance) P-C4' energy: -113.296 flat angles C4'-P-C4' energy: -115.775 flat angles P-C4'-P energy: -83.618 tors. eta vs tors. theta energy: 2.020 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: 1, replica: 8 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -2620.037326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.037326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.037326 (E_RNA) where: Base-Base interactions energy: -1788.787 where: short stacking energy: -768.985 Base-Backbone interact. energy: -4.889 local terms energy: -826.361545 where: bonds (distance) C4'-P energy: -171.464 bonds (distance) P-C4' energy: -143.313 flat angles C4'-P-C4' energy: -180.542 flat angles P-C4'-P energy: -113.334 tors. eta vs tors. theta energy: -217.708 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: 10 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -2372.150313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.150313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.150313 (E_RNA) where: Base-Base interactions energy: -1600.569 where: short stacking energy: -738.659 Base-Backbone interact. energy: 1.549 local terms energy: -773.130559 where: bonds (distance) C4'-P energy: -148.686 bonds (distance) P-C4' energy: -147.299 flat angles C4'-P-C4' energy: -180.068 flat angles P-C4'-P energy: -107.988 tors. eta vs tors. theta energy: -189.090 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: 3, replica: 7 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -2320.438794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.438794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.438794 (E_RNA) where: Base-Base interactions energy: -1537.098 where: short stacking energy: -739.594 Base-Backbone interact. energy: -4.512 local terms energy: -778.829119 where: bonds (distance) C4'-P energy: -141.491 bonds (distance) P-C4' energy: -151.721 flat angles C4'-P-C4' energy: -181.523 flat angles P-C4'-P energy: -111.884 tors. eta vs tors. theta energy: -192.210 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: 41 Temperature: 1.050000 Total energy: -1933.693579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.693579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.693579 (E_RNA) where: Base-Base interactions energy: -1246.795 where: short stacking energy: -598.668 Base-Backbone interact. energy: 0.120 local terms energy: -687.018200 where: bonds (distance) C4'-P energy: -145.386 bonds (distance) P-C4' energy: -168.439 flat angles C4'-P-C4' energy: -153.217 flat angles P-C4'-P energy: -89.420 tors. eta vs tors. theta energy: -130.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1792.428640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.428640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.428640 (E_RNA) where: Base-Base interactions energy: -1142.183 where: short stacking energy: -548.926 Base-Backbone interact. energy: -3.437 local terms energy: -646.808625 where: bonds (distance) C4'-P energy: -138.993 bonds (distance) P-C4' energy: -147.496 flat angles C4'-P-C4' energy: -149.195 flat angles P-C4'-P energy: -85.588 tors. eta vs tors. theta energy: -125.537 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: 6, replica: 5 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1582.382424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.382424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.382424 (E_RNA) where: Base-Base interactions energy: -985.335 where: short stacking energy: -476.851 Base-Backbone interact. energy: -3.698 local terms energy: -593.349437 where: bonds (distance) C4'-P energy: -142.741 bonds (distance) P-C4' energy: -141.978 flat angles C4'-P-C4' energy: -120.204 flat angles P-C4'-P energy: -94.473 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: 7, replica: 3 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1499.893741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.893741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.893741 (E_RNA) where: Base-Base interactions energy: -896.216 where: short stacking energy: -445.695 Base-Backbone interact. energy: 2.718 local terms energy: -606.396133 where: bonds (distance) C4'-P energy: -141.614 bonds (distance) P-C4' energy: -139.562 flat angles C4'-P-C4' energy: -149.081 flat angles P-C4'-P energy: -90.674 tors. eta vs tors. theta energy: -85.466 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: 8, replica: 9 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -1165.922454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.922454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.922454 (E_RNA) where: Base-Base interactions energy: -655.271 where: short stacking energy: -371.201 Base-Backbone interact. energy: -1.622 local terms energy: -509.029264 where: bonds (distance) C4'-P energy: -119.666 bonds (distance) P-C4' energy: -149.929 flat angles C4'-P-C4' energy: -133.014 flat angles P-C4'-P energy: -65.548 tors. eta vs tors. theta energy: -40.872 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: 9, replica: 1 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -999.338530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.338530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.338530 (E_RNA) where: Base-Base interactions energy: -541.874 where: short stacking energy: -307.169 Base-Backbone interact. energy: 4.773 local terms energy: -462.237583 where: bonds (distance) C4'-P energy: -98.087 bonds (distance) P-C4' energy: -144.818 flat angles C4'-P-C4' energy: -145.202 flat angles P-C4'-P energy: -55.917 tors. eta vs tors. theta energy: -18.214 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: 6 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -892.962364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.962364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.962364 (E_RNA) where: Base-Base interactions energy: -470.567 where: short stacking energy: -282.865 Base-Backbone interact. energy: 1.184 local terms energy: -423.579088 where: bonds (distance) C4'-P energy: -129.675 bonds (distance) P-C4' energy: -128.445 flat angles C4'-P-C4' energy: -90.569 flat angles P-C4'-P energy: -65.189 tors. eta vs tors. theta energy: -9.702 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: 8 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -2598.491336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.491336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.491336 (E_RNA) where: Base-Base interactions energy: -1792.716 where: short stacking energy: -786.828 Base-Backbone interact. energy: -1.598 local terms energy: -804.177699 where: bonds (distance) C4'-P energy: -133.781 bonds (distance) P-C4' energy: -152.625 flat angles C4'-P-C4' energy: -184.660 flat angles P-C4'-P energy: -125.547 tors. eta vs tors. theta energy: -207.565 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: 2, replica: 10 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -2379.733482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.733482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.733482 (E_RNA) where: Base-Base interactions energy: -1572.055 where: short stacking energy: -725.930 Base-Backbone interact. energy: -4.175 local terms energy: -803.503516 where: bonds (distance) C4'-P energy: -166.014 bonds (distance) P-C4' energy: -149.179 flat angles C4'-P-C4' energy: -173.538 flat angles P-C4'-P energy: -123.194 tors. eta vs tors. theta energy: -191.577 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: 7 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -2301.588705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.588705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.588705 (E_RNA) where: Base-Base interactions energy: -1502.781 where: short stacking energy: -727.538 Base-Backbone interact. energy: 2.178 local terms energy: -800.986326 where: bonds (distance) C4'-P energy: -168.422 bonds (distance) P-C4' energy: -160.733 flat angles C4'-P-C4' energy: -167.814 flat angles P-C4'-P energy: -112.936 tors. eta vs tors. theta energy: -191.082 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: 4, replica: 2 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1967.236444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.236444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.236444 (E_RNA) where: Base-Base interactions energy: -1263.897 where: short stacking energy: -601.553 Base-Backbone interact. energy: 1.367 local terms energy: -704.706025 where: bonds (distance) C4'-P energy: -149.115 bonds (distance) P-C4' energy: -161.239 flat angles C4'-P-C4' energy: -156.317 flat angles P-C4'-P energy: -100.858 tors. eta vs tors. theta energy: -137.177 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: 4 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1798.235644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.235644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.235644 (E_RNA) where: Base-Base interactions energy: -1144.907 where: short stacking energy: -585.144 Base-Backbone interact. energy: 4.118 local terms energy: -657.446954 where: bonds (distance) C4'-P energy: -145.047 bonds (distance) P-C4' energy: -130.920 flat angles C4'-P-C4' energy: -155.830 flat angles P-C4'-P energy: -103.231 tors. eta vs tors. theta energy: -122.419 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: 5 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1713.008742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.008742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.008742 (E_RNA) where: Base-Base interactions energy: -1085.097 where: short stacking energy: -531.654 Base-Backbone interact. energy: -4.255 local terms energy: -623.656570 where: bonds (distance) C4'-P energy: -151.989 bonds (distance) P-C4' energy: -128.345 flat angles C4'-P-C4' energy: -145.287 flat angles P-C4'-P energy: -93.311 tors. eta vs tors. theta energy: -104.724 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: 7, replica: 3 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1441.602793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.602793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.602793 (E_RNA) where: Base-Base interactions energy: -861.765 where: short stacking energy: -425.102 Base-Backbone interact. energy: -2.884 local terms energy: -576.953411 where: bonds (distance) C4'-P energy: -136.024 bonds (distance) P-C4' energy: -132.499 flat angles C4'-P-C4' energy: -153.048 flat angles P-C4'-P energy: -81.255 tors. eta vs tors. theta energy: -74.128 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: 42 Temperature: 1.250000 Total energy: -1227.006094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.006094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.006094 (E_RNA) where: Base-Base interactions energy: -749.952 where: short stacking energy: -352.606 Base-Backbone interact. energy: -0.791 local terms energy: -476.262241 where: bonds (distance) C4'-P energy: -133.024 bonds (distance) P-C4' energy: -131.144 flat angles C4'-P-C4' energy: -101.403 flat angles P-C4'-P energy: -69.819 tors. eta vs tors. theta energy: -40.872 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: 9, replica: 1 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -1033.988711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.988711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.988711 (E_RNA) where: Base-Base interactions energy: -562.002 where: short stacking energy: -343.849 Base-Backbone interact. energy: 2.501 local terms energy: -474.487511 where: bonds (distance) C4'-P energy: -116.047 bonds (distance) P-C4' energy: -129.957 flat angles C4'-P-C4' energy: -120.466 flat angles P-C4'-P energy: -80.539 tors. eta vs tors. theta energy: -27.478 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: 6 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -867.700240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.700240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.700240 (E_RNA) where: Base-Base interactions energy: -458.236 where: short stacking energy: -265.445 Base-Backbone interact. energy: -3.372 local terms energy: -406.092178 where: bonds (distance) C4'-P energy: -111.038 bonds (distance) P-C4' energy: -110.541 flat angles C4'-P-C4' energy: -120.748 flat angles P-C4'-P energy: -58.770 tors. eta vs tors. theta energy: -4.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -2637.749349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.749349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.749349 (E_RNA) where: Base-Base interactions energy: -1801.223 where: short stacking energy: -782.373 Base-Backbone interact. energy: -3.321 local terms energy: -833.205602 where: bonds (distance) C4'-P energy: -167.956 bonds (distance) P-C4' energy: -153.317 flat angles C4'-P-C4' energy: -176.467 flat angles P-C4'-P energy: -125.486 tors. eta vs tors. theta energy: -209.981 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: 2, replica: 7 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -2371.025026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.025026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.025026 (E_RNA) where: Base-Base interactions energy: -1550.614 where: short stacking energy: -760.946 Base-Backbone interact. energy: -0.380 local terms energy: -820.030899 where: bonds (distance) C4'-P energy: -160.456 bonds (distance) P-C4' energy: -164.323 flat angles C4'-P-C4' energy: -190.969 flat angles P-C4'-P energy: -112.444 tors. eta vs tors. theta energy: -191.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -2290.140468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.140468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.140468 (E_RNA) where: Base-Base interactions energy: -1560.127 where: short stacking energy: -731.544 Base-Backbone interact. energy: -2.420 local terms energy: -727.593084 where: bonds (distance) C4'-P energy: -152.241 bonds (distance) P-C4' energy: -153.176 flat angles C4'-P-C4' energy: -161.999 flat angles P-C4'-P energy: -86.738 tors. eta vs tors. theta energy: -173.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -2044.481081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.481081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.481081 (E_RNA) where: Base-Base interactions energy: -1362.699 where: short stacking energy: -635.892 Base-Backbone interact. energy: -1.691 local terms energy: -680.090553 where: bonds (distance) C4'-P energy: -152.356 bonds (distance) P-C4' energy: -149.289 flat angles C4'-P-C4' energy: -156.556 flat angles P-C4'-P energy: -76.225 tors. eta vs tors. theta energy: -145.665 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: 4 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1779.885914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.885914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.885914 (E_RNA) where: Base-Base interactions energy: -1133.915 where: short stacking energy: -593.527 Base-Backbone interact. energy: 1.478 local terms energy: -647.449186 where: bonds (distance) C4'-P energy: -129.597 bonds (distance) P-C4' energy: -146.116 flat angles C4'-P-C4' energy: -150.516 flat angles P-C4'-P energy: -80.881 tors. eta vs tors. theta energy: -140.340 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: 6, replica: 5 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1748.816018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.816018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.816018 (E_RNA) where: Base-Base interactions energy: -1121.680 where: short stacking energy: -546.071 Base-Backbone interact. energy: 2.077 local terms energy: -629.213545 where: bonds (distance) C4'-P energy: -135.435 bonds (distance) P-C4' energy: -143.338 flat angles C4'-P-C4' energy: -152.164 flat angles P-C4'-P energy: -85.742 tors. eta vs tors. theta energy: -112.535 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: 3 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1471.654450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.654450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.654450 (E_RNA) where: Base-Base interactions energy: -909.616 where: short stacking energy: -473.426 Base-Backbone interact. energy: -3.431 local terms energy: -558.607817 where: bonds (distance) C4'-P energy: -138.254 bonds (distance) P-C4' energy: -116.221 flat angles C4'-P-C4' energy: -119.069 flat angles P-C4'-P energy: -95.983 tors. eta vs tors. theta energy: -89.081 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: 9 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -1266.607292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.607292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.607292 (E_RNA) where: Base-Base interactions energy: -761.960 where: short stacking energy: -420.220 Base-Backbone interact. energy: 4.390 local terms energy: -509.036952 where: bonds (distance) C4'-P energy: -130.331 bonds (distance) P-C4' energy: -128.762 flat angles C4'-P-C4' energy: -120.563 flat angles P-C4'-P energy: -79.832 tors. eta vs tors. theta energy: -49.550 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: 1 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -990.349937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.349937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.349937 (E_RNA) where: Base-Base interactions energy: -491.282 where: short stacking energy: -300.013 Base-Backbone interact. energy: -1.864 local terms energy: -497.203929 where: bonds (distance) C4'-P energy: -130.106 bonds (distance) P-C4' energy: -116.912 flat angles C4'-P-C4' energy: -145.188 flat angles P-C4'-P energy: -77.137 tors. eta vs tors. theta energy: -27.861 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: 10, replica: 6 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -822.277957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.277957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.277957 (E_RNA) where: Base-Base interactions energy: -385.509 where: short stacking energy: -227.176 Base-Backbone interact. energy: 5.590 local terms energy: -442.358663 where: bonds (distance) C4'-P energy: -115.776 bonds (distance) P-C4' energy: -141.861 flat angles C4'-P-C4' energy: -120.393 flat angles P-C4'-P energy: -64.899 tors. eta vs tors. theta energy: 0.572 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: 8 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -2625.738549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.738549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.738549 (E_RNA) where: Base-Base interactions energy: -1786.983 where: short stacking energy: -780.988 Base-Backbone interact. energy: -0.228 local terms energy: -838.527884 where: bonds (distance) C4'-P energy: -160.458 bonds (distance) P-C4' energy: -163.675 flat angles C4'-P-C4' energy: -179.071 flat angles P-C4'-P energy: -118.460 tors. eta vs tors. theta energy: -216.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -2433.448311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.448311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.448311 (E_RNA) where: Base-Base interactions energy: -1622.316 where: short stacking energy: -759.404 Base-Backbone interact. energy: -3.639 local terms energy: -807.493653 where: bonds (distance) C4'-P energy: -143.499 bonds (distance) P-C4' energy: -168.166 flat angles C4'-P-C4' energy: -177.988 flat angles P-C4'-P energy: -116.041 tors. eta vs tors. theta energy: -201.799 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: 10 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -2348.943421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.943421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.943421 (E_RNA) where: Base-Base interactions energy: -1566.982 where: short stacking energy: -759.228 Base-Backbone interact. energy: -1.178 local terms energy: -780.783490 where: bonds (distance) C4'-P energy: -138.845 bonds (distance) P-C4' energy: -155.880 flat angles C4'-P-C4' energy: -167.727 flat angles P-C4'-P energy: -115.304 tors. eta vs tors. theta energy: -203.028 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: 2 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -2120.729327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.729327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.729327 (E_RNA) where: Base-Base interactions energy: -1407.741 where: short stacking energy: -658.456 Base-Backbone interact. energy: -0.581 local terms energy: -712.407856 where: bonds (distance) C4'-P energy: -134.024 bonds (distance) P-C4' energy: -151.308 flat angles C4'-P-C4' energy: -165.113 flat angles P-C4'-P energy: -115.931 tors. eta vs tors. theta energy: -146.031 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: 4 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1770.823621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.823621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.823621 (E_RNA) where: Base-Base interactions energy: -1104.727 where: short stacking energy: -558.045 Base-Backbone interact. energy: -5.301 local terms energy: -660.795770 where: bonds (distance) C4'-P energy: -141.384 bonds (distance) P-C4' energy: -146.289 flat angles C4'-P-C4' energy: -141.226 flat angles P-C4'-P energy: -104.515 tors. eta vs tors. theta energy: -127.382 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: 6, replica: 5 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1800.778135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.778135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.778135 (E_RNA) where: Base-Base interactions energy: -1134.774 where: short stacking energy: -584.246 Base-Backbone interact. energy: -3.700 local terms energy: -662.304254 where: bonds (distance) C4'-P energy: -121.152 bonds (distance) P-C4' energy: -137.931 flat angles C4'-P-C4' energy: -143.596 flat angles P-C4'-P energy: -109.453 tors. eta vs tors. theta energy: -150.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1434.043523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.043523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.043523 (E_RNA) where: Base-Base interactions energy: -907.255 where: short stacking energy: -459.647 Base-Backbone interact. energy: 1.641 local terms energy: -528.429708 where: bonds (distance) C4'-P energy: -132.783 bonds (distance) P-C4' energy: -122.452 flat angles C4'-P-C4' energy: -126.532 flat angles P-C4'-P energy: -87.619 tors. eta vs tors. theta energy: -59.043 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: 8, replica: 3 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -1309.577686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.577686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.577686 (E_RNA) where: Base-Base interactions energy: -775.044 where: short stacking energy: -441.797 Base-Backbone interact. energy: 5.763 local terms energy: -540.297400 where: bonds (distance) C4'-P energy: -144.064 bonds (distance) P-C4' energy: -137.268 flat angles C4'-P-C4' energy: -143.051 flat angles P-C4'-P energy: -37.216 tors. eta vs tors. theta energy: -78.698 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: 1 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -944.439633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.439633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.439633 (E_RNA) where: Base-Base interactions energy: -487.334 where: short stacking energy: -298.132 Base-Backbone interact. energy: -0.391 local terms energy: -456.714382 where: bonds (distance) C4'-P energy: -141.995 bonds (distance) P-C4' energy: -124.426 flat angles C4'-P-C4' energy: -111.858 flat angles P-C4'-P energy: -65.177 tors. eta vs tors. theta energy: -13.258 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: 6 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -812.483264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.483264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.483264 (E_RNA) where: Base-Base interactions energy: -391.872 where: short stacking energy: -232.168 Base-Backbone interact. energy: 5.011 local terms energy: -425.622264 where: bonds (distance) C4'-P energy: -131.710 bonds (distance) P-C4' energy: -133.967 flat angles C4'-P-C4' energy: -92.625 flat angles P-C4'-P energy: -80.044 tors. eta vs tors. theta energy: 12.724 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: 45 Temperature: 0.900000 Total energy: -2647.113195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.113195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.113195 (E_RNA) where: Base-Base interactions energy: -1777.727 where: short stacking energy: -793.684 Base-Backbone interact. energy: -6.815 local terms energy: -862.571599 where: bonds (distance) C4'-P energy: -171.447 bonds (distance) P-C4' energy: -170.284 flat angles C4'-P-C4' energy: -181.343 flat angles P-C4'-P energy: -111.292 tors. eta vs tors. theta energy: -228.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -2462.233487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.233487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.233487 (E_RNA) where: Base-Base interactions energy: -1656.549 where: short stacking energy: -758.742 Base-Backbone interact. energy: 0.180 local terms energy: -805.863688 where: bonds (distance) C4'-P energy: -155.033 bonds (distance) P-C4' energy: -154.459 flat angles C4'-P-C4' energy: -184.419 flat angles P-C4'-P energy: -113.056 tors. eta vs tors. theta energy: -198.897 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: 10 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -2314.168167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.168167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.168167 (E_RNA) where: Base-Base interactions energy: -1533.072 where: short stacking energy: -730.594 Base-Backbone interact. energy: -0.233 local terms energy: -780.862876 where: bonds (distance) C4'-P energy: -158.379 bonds (distance) P-C4' energy: -162.562 flat angles C4'-P-C4' energy: -163.467 flat angles P-C4'-P energy: -99.909 tors. eta vs tors. theta energy: -196.546 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: 4, replica: 2 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -2096.976222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.976222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.976222 (E_RNA) where: Base-Base interactions energy: -1360.301 where: short stacking energy: -615.383 Base-Backbone interact. energy: -1.203 local terms energy: -735.472326 where: bonds (distance) C4'-P energy: -147.830 bonds (distance) P-C4' energy: -152.285 flat angles C4'-P-C4' energy: -164.966 flat angles P-C4'-P energy: -112.304 tors. eta vs tors. theta energy: -158.088 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: 4 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1850.804001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.804001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.804001 (E_RNA) where: Base-Base interactions energy: -1197.856 where: short stacking energy: -573.147 Base-Backbone interact. energy: 0.714 local terms energy: -653.661952 where: bonds (distance) C4'-P energy: -149.264 bonds (distance) P-C4' energy: -148.023 flat angles C4'-P-C4' energy: -140.455 flat angles P-C4'-P energy: -91.835 tors. eta vs tors. theta energy: -124.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1778.922336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.922336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.922336 (E_RNA) where: Base-Base interactions energy: -1110.485 where: short stacking energy: -535.193 Base-Backbone interact. energy: -2.584 local terms energy: -665.853451 where: bonds (distance) C4'-P energy: -145.686 bonds (distance) P-C4' energy: -148.369 flat angles C4'-P-C4' energy: -165.715 flat angles P-C4'-P energy: -67.533 tors. eta vs tors. theta energy: -138.550 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: 7, replica: 9 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1474.368485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.368485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.368485 (E_RNA) where: Base-Base interactions energy: -936.773 where: short stacking energy: -457.473 Base-Backbone interact. energy: -0.170 local terms energy: -537.425726 where: bonds (distance) C4'-P energy: -130.881 bonds (distance) P-C4' energy: -144.872 flat angles C4'-P-C4' energy: -126.764 flat angles P-C4'-P energy: -81.520 tors. eta vs tors. theta energy: -53.388 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: 8, replica: 3 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -1242.999540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.999540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.999540 (E_RNA) where: Base-Base interactions energy: -721.273 where: short stacking energy: -378.128 Base-Backbone interact. energy: -0.419 local terms energy: -521.307600 where: bonds (distance) C4'-P energy: -119.879 bonds (distance) P-C4' energy: -135.194 flat angles C4'-P-C4' energy: -127.009 flat angles P-C4'-P energy: -77.015 tors. eta vs tors. theta energy: -62.211 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: 1 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -924.903084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.903084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.903084 (E_RNA) where: Base-Base interactions energy: -449.006 where: short stacking energy: -288.868 Base-Backbone interact. energy: -1.923 local terms energy: -473.973623 where: bonds (distance) C4'-P energy: -131.828 bonds (distance) P-C4' energy: -111.624 flat angles C4'-P-C4' energy: -131.660 flat angles P-C4'-P energy: -70.011 tors. eta vs tors. theta energy: -28.851 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: 10, replica: 6 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -876.421245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.421245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.421245 (E_RNA) where: Base-Base interactions energy: -430.581 where: short stacking energy: -278.580 Base-Backbone interact. energy: -1.468 local terms energy: -444.372427 where: bonds (distance) C4'-P energy: -134.964 bonds (distance) P-C4' energy: -125.059 flat angles C4'-P-C4' energy: -112.358 flat angles P-C4'-P energy: -54.164 tors. eta vs tors. theta energy: -17.827 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: 1, replica: 8 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -2663.561012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.561012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.561012 (E_RNA) where: Base-Base interactions energy: -1823.493 where: short stacking energy: -801.635 Base-Backbone interact. energy: -5.737 local terms energy: -834.331161 where: bonds (distance) C4'-P energy: -142.585 bonds (distance) P-C4' energy: -171.301 flat angles C4'-P-C4' energy: -180.430 flat angles P-C4'-P energy: -111.461 tors. eta vs tors. theta energy: -228.554 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: 2, replica: 7 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -2438.210037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.210037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.210037 (E_RNA) where: Base-Base interactions energy: -1636.173 where: short stacking energy: -762.656 Base-Backbone interact. energy: -2.416 local terms energy: -799.620744 where: bonds (distance) C4'-P energy: -144.540 bonds (distance) P-C4' energy: -168.185 flat angles C4'-P-C4' energy: -167.900 flat angles P-C4'-P energy: -106.616 tors. eta vs tors. theta energy: -212.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -2348.649800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.649800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.649800 (E_RNA) where: Base-Base interactions energy: -1585.708 where: short stacking energy: -695.876 Base-Backbone interact. energy: -3.651 local terms energy: -759.291170 where: bonds (distance) C4'-P energy: -152.471 bonds (distance) P-C4' energy: -152.327 flat angles C4'-P-C4' energy: -162.359 flat angles P-C4'-P energy: -106.185 tors. eta vs tors. theta energy: -185.949 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: 4, replica: 2 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -2107.755769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.755769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.755769 (E_RNA) where: Base-Base interactions energy: -1411.727 where: short stacking energy: -628.650 Base-Backbone interact. energy: -2.252 local terms energy: -693.776793 where: bonds (distance) C4'-P energy: -127.194 bonds (distance) P-C4' energy: -144.836 flat angles C4'-P-C4' energy: -164.670 flat angles P-C4'-P energy: -100.912 tors. eta vs tors. theta energy: -156.165 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: 4 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1887.111388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.111388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.111388 (E_RNA) where: Base-Base interactions energy: -1219.980 where: short stacking energy: -618.503 Base-Backbone interact. energy: -0.504 local terms energy: -666.627715 where: bonds (distance) C4'-P energy: -159.800 bonds (distance) P-C4' energy: -120.249 flat angles C4'-P-C4' energy: -145.630 flat angles P-C4'-P energy: -101.682 tors. eta vs tors. theta energy: -139.267 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: 5 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1836.304237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.304237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.304237 (E_RNA) where: Base-Base interactions energy: -1146.757 where: short stacking energy: -560.073 Base-Backbone interact. energy: 1.317 local terms energy: -690.863912 where: bonds (distance) C4'-P energy: -139.169 bonds (distance) P-C4' energy: -180.900 flat angles C4'-P-C4' energy: -157.192 flat angles P-C4'-P energy: -85.788 tors. eta vs tors. theta energy: -127.814 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: 9 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1499.219911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.219911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.219911 (E_RNA) where: Base-Base interactions energy: -930.559 where: short stacking energy: -456.017 Base-Backbone interact. energy: -1.887 local terms energy: -566.773900 where: bonds (distance) C4'-P energy: -136.272 bonds (distance) P-C4' energy: -144.184 flat angles C4'-P-C4' energy: -130.437 flat angles P-C4'-P energy: -96.296 tors. eta vs tors. theta energy: -59.585 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: 3 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -1300.739500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.739500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.739500 (E_RNA) where: Base-Base interactions energy: -777.219 where: short stacking energy: -393.198 Base-Backbone interact. energy: -3.024 local terms energy: -520.496364 where: bonds (distance) C4'-P energy: -142.279 bonds (distance) P-C4' energy: -108.483 flat angles C4'-P-C4' energy: -123.080 flat angles P-C4'-P energy: -78.735 tors. eta vs tors. theta energy: -67.920 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: 46 Temperature: 1.300000 Total energy: -920.021110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.021110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.021110 (E_RNA) where: Base-Base interactions energy: -447.549 where: short stacking energy: -273.747 Base-Backbone interact. energy: 5.527 local terms energy: -477.998759 where: bonds (distance) C4'-P energy: -123.944 bonds (distance) P-C4' energy: -159.004 flat angles C4'-P-C4' energy: -111.286 flat angles P-C4'-P energy: -79.024 tors. eta vs tors. theta energy: -4.741 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: 10, replica: 1 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -774.326324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.326324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.326324 (E_RNA) where: Base-Base interactions energy: -332.838 where: short stacking energy: -230.669 Base-Backbone interact. energy: -2.130 local terms energy: -439.357630 where: bonds (distance) C4'-P energy: -115.236 bonds (distance) P-C4' energy: -134.011 flat angles C4'-P-C4' energy: -114.208 flat angles P-C4'-P energy: -89.465 tors. eta vs tors. theta energy: 13.563 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: 47 Temperature: 0.900000 Total energy: -2638.044013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.044013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.044013 (E_RNA) where: Base-Base interactions energy: -1797.085 where: short stacking energy: -788.758 Base-Backbone interact. energy: -4.332 local terms energy: -836.627443 where: bonds (distance) C4'-P energy: -172.550 bonds (distance) P-C4' energy: -155.064 flat angles C4'-P-C4' energy: -166.320 flat angles P-C4'-P energy: -115.234 tors. eta vs tors. theta energy: -227.460 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: 7 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -2446.987770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.987770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.987770 (E_RNA) where: Base-Base interactions energy: -1630.633 where: short stacking energy: -722.832 Base-Backbone interact. energy: 0.998 local terms energy: -817.352533 where: bonds (distance) C4'-P energy: -166.089 bonds (distance) P-C4' energy: -164.933 flat angles C4'-P-C4' energy: -176.987 flat angles P-C4'-P energy: -113.322 tors. eta vs tors. theta energy: -196.021 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: 10 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -2337.859715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.859715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.859715 (E_RNA) where: Base-Base interactions energy: -1564.890 where: short stacking energy: -722.173 Base-Backbone interact. energy: -3.114 local terms energy: -769.855673 where: bonds (distance) C4'-P energy: -153.700 bonds (distance) P-C4' energy: -156.849 flat angles C4'-P-C4' energy: -164.169 flat angles P-C4'-P energy: -106.526 tors. eta vs tors. theta energy: -188.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -2087.418892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.418892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.418892 (E_RNA) where: Base-Base interactions energy: -1385.051 where: short stacking energy: -623.454 Base-Backbone interact. energy: 3.556 local terms energy: -705.923864 where: bonds (distance) C4'-P energy: -135.206 bonds (distance) P-C4' energy: -169.079 flat angles C4'-P-C4' energy: -157.960 flat angles P-C4'-P energy: -100.821 tors. eta vs tors. theta energy: -142.859 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: 5, replica: 4 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1873.839739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.839739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.839739 (E_RNA) where: Base-Base interactions energy: -1198.505 where: short stacking energy: -582.476 Base-Backbone interact. energy: -2.970 local terms energy: -672.364874 where: bonds (distance) C4'-P energy: -136.761 bonds (distance) P-C4' energy: -147.987 flat angles C4'-P-C4' energy: -165.264 flat angles P-C4'-P energy: -84.199 tors. eta vs tors. theta energy: -138.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1841.253075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.253075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.253075 (E_RNA) where: Base-Base interactions energy: -1177.059 where: short stacking energy: -562.496 Base-Backbone interact. energy: 0.069 local terms energy: -664.262803 where: bonds (distance) C4'-P energy: -149.605 bonds (distance) P-C4' energy: -154.169 flat angles C4'-P-C4' energy: -132.410 flat angles P-C4'-P energy: -97.115 tors. eta vs tors. theta energy: -130.965 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: 7, replica: 9 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1566.147336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.147336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.147336 (E_RNA) where: Base-Base interactions energy: -974.142 where: short stacking energy: -450.798 Base-Backbone interact. energy: -0.679 local terms energy: -591.325857 where: bonds (distance) C4'-P energy: -140.701 bonds (distance) P-C4' energy: -145.854 flat angles C4'-P-C4' energy: -143.150 flat angles P-C4'-P energy: -68.538 tors. eta vs tors. theta energy: -93.083 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: 8, replica: 3 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -1271.219855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.219855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.219855 (E_RNA) where: Base-Base interactions energy: -735.671 where: short stacking energy: -353.507 Base-Backbone interact. energy: -2.906 local terms energy: -532.642718 where: bonds (distance) C4'-P energy: -107.250 bonds (distance) P-C4' energy: -136.906 flat angles C4'-P-C4' energy: -133.989 flat angles P-C4'-P energy: -94.409 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: 9, replica: 6 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -916.560828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.560828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.560828 (E_RNA) where: Base-Base interactions energy: -481.036 where: short stacking energy: -297.954 Base-Backbone interact. energy: 1.560 local terms energy: -437.084673 where: bonds (distance) C4'-P energy: -142.393 bonds (distance) P-C4' energy: -129.063 flat angles C4'-P-C4' energy: -104.298 flat angles P-C4'-P energy: -70.477 tors. eta vs tors. theta energy: 9.147 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: 10, replica: 1 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -760.759589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.759589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.759589 (E_RNA) where: Base-Base interactions energy: -341.454 where: short stacking energy: -217.339 Base-Backbone interact. energy: 6.859 local terms energy: -426.164965 where: bonds (distance) C4'-P energy: -126.484 bonds (distance) P-C4' energy: -152.785 flat angles C4'-P-C4' energy: -99.470 flat angles P-C4'-P energy: -64.986 tors. eta vs tors. theta energy: 17.560 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: 1, replica: 8 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -2671.103518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.103518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.103518 (E_RNA) where: Base-Base interactions energy: -1840.218 where: short stacking energy: -769.830 Base-Backbone interact. energy: -0.506 local terms energy: -830.380261 where: bonds (distance) C4'-P energy: -167.546 bonds (distance) P-C4' energy: -162.048 flat angles C4'-P-C4' energy: -171.825 flat angles P-C4'-P energy: -105.368 tors. eta vs tors. theta energy: -223.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -2523.303230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.303230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.303230 (E_RNA) where: Base-Base interactions energy: -1717.967 where: short stacking energy: -789.046 Base-Backbone interact. energy: -3.319 local terms energy: -802.017322 where: bonds (distance) C4'-P energy: -141.466 bonds (distance) P-C4' energy: -156.350 flat angles C4'-P-C4' energy: -178.793 flat angles P-C4'-P energy: -109.188 tors. eta vs tors. theta energy: -216.220 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: 10 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -2352.844290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.844290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.844290 (E_RNA) where: Base-Base interactions energy: -1586.916 where: short stacking energy: -712.203 Base-Backbone interact. energy: -1.417 local terms energy: -764.511030 where: bonds (distance) C4'-P energy: -155.683 bonds (distance) P-C4' energy: -146.898 flat angles C4'-P-C4' energy: -170.304 flat angles P-C4'-P energy: -107.101 tors. eta vs tors. theta energy: -184.525 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: 4, replica: 2 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -2139.945339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.945339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.945339 (E_RNA) where: Base-Base interactions energy: -1435.831 where: short stacking energy: -654.181 Base-Backbone interact. energy: -2.917 local terms energy: -701.196690 where: bonds (distance) C4'-P energy: -151.004 bonds (distance) P-C4' energy: -141.854 flat angles C4'-P-C4' energy: -172.239 flat angles P-C4'-P energy: -91.458 tors. eta vs tors. theta energy: -144.642 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: 5, replica: 5 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1889.571116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.571116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.571116 (E_RNA) where: Base-Base interactions energy: -1215.273 where: short stacking energy: -582.132 Base-Backbone interact. energy: -6.468 local terms energy: -667.830533 where: bonds (distance) C4'-P energy: -135.263 bonds (distance) P-C4' energy: -147.966 flat angles C4'-P-C4' energy: -154.690 flat angles P-C4'-P energy: -91.340 tors. eta vs tors. theta energy: -138.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1779.305001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.305001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.305001 (E_RNA) where: Base-Base interactions energy: -1158.425 where: short stacking energy: -543.386 Base-Backbone interact. energy: 1.123 local terms energy: -622.003432 where: bonds (distance) C4'-P energy: -123.386 bonds (distance) P-C4' energy: -137.264 flat angles C4'-P-C4' energy: -155.140 flat angles P-C4'-P energy: -88.829 tors. eta vs tors. theta energy: -117.384 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: 7, replica: 9 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1607.371744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.371744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.371744 (E_RNA) where: Base-Base interactions energy: -1029.143 where: short stacking energy: -437.821 Base-Backbone interact. energy: -2.286 local terms energy: -575.943150 where: bonds (distance) C4'-P energy: -120.955 bonds (distance) P-C4' energy: -137.546 flat angles C4'-P-C4' energy: -138.292 flat angles P-C4'-P energy: -95.311 tors. eta vs tors. theta energy: -83.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -1309.852640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.852640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.852640 (E_RNA) where: Base-Base interactions energy: -750.857 where: short stacking energy: -373.393 Base-Backbone interact. energy: -3.211 local terms energy: -555.785001 where: bonds (distance) C4'-P energy: -127.784 bonds (distance) P-C4' energy: -147.780 flat angles C4'-P-C4' energy: -147.548 flat angles P-C4'-P energy: -64.111 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: 9, replica: 6 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -964.684057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.684057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.684057 (E_RNA) where: Base-Base interactions energy: -491.124 where: short stacking energy: -288.274 Base-Backbone interact. energy: -0.552 local terms energy: -473.008431 where: bonds (distance) C4'-P energy: -135.735 bonds (distance) P-C4' energy: -139.650 flat angles C4'-P-C4' energy: -118.750 flat angles P-C4'-P energy: -77.216 tors. eta vs tors. theta energy: -1.658 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: 10, replica: 1 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -720.238625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.238625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.238625 (E_RNA) where: Base-Base interactions energy: -328.744 where: short stacking energy: -222.956 Base-Backbone interact. energy: 7.966 local terms energy: -399.460991 where: bonds (distance) C4'-P energy: -129.174 bonds (distance) P-C4' energy: -126.244 flat angles C4'-P-C4' energy: -116.562 flat angles P-C4'-P energy: -47.551 tors. eta vs tors. theta energy: 20.071 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: 1, replica: 8 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -2673.331602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.331602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.331602 (E_RNA) where: Base-Base interactions energy: -1856.308 where: short stacking energy: -791.321 Base-Backbone interact. energy: -2.027 local terms energy: -814.996469 where: bonds (distance) C4'-P energy: -156.443 bonds (distance) P-C4' energy: -155.509 flat angles C4'-P-C4' energy: -168.760 flat angles P-C4'-P energy: -108.195 tors. eta vs tors. theta energy: -226.090 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: 2, replica: 7 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -2495.238669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.238669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.238669 (E_RNA) where: Base-Base interactions energy: -1691.320 where: short stacking energy: -789.659 Base-Backbone interact. energy: -5.368 local terms energy: -798.550197 where: bonds (distance) C4'-P energy: -156.151 bonds (distance) P-C4' energy: -159.414 flat angles C4'-P-C4' energy: -178.134 flat angles P-C4'-P energy: -113.311 tors. eta vs tors. theta energy: -191.540 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: 10 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -2393.490741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.490741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.490741 (E_RNA) where: Base-Base interactions energy: -1629.841 where: short stacking energy: -706.632 Base-Backbone interact. energy: 2.041 local terms energy: -765.690517 where: bonds (distance) C4'-P energy: -146.220 bonds (distance) P-C4' energy: -152.178 flat angles C4'-P-C4' energy: -166.901 flat angles P-C4'-P energy: -121.117 tors. eta vs tors. theta energy: -179.275 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: 4, replica: 2 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -2190.936990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.936990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.936990 (E_RNA) where: Base-Base interactions energy: -1454.152 where: short stacking energy: -653.745 Base-Backbone interact. energy: 1.499 local terms energy: -738.284159 where: bonds (distance) C4'-P energy: -136.538 bonds (distance) P-C4' energy: -165.832 flat angles C4'-P-C4' energy: -161.450 flat angles P-C4'-P energy: -116.444 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: 5, replica: 5 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1909.209595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.209595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.209595 (E_RNA) where: Base-Base interactions energy: -1232.306 where: short stacking energy: -594.873 Base-Backbone interact. energy: -3.826 local terms energy: -673.078332 where: bonds (distance) C4'-P energy: -139.229 bonds (distance) P-C4' energy: -155.390 flat angles C4'-P-C4' energy: -161.386 flat angles P-C4'-P energy: -83.676 tors. eta vs tors. theta energy: -133.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1771.528792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.528792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.528792 (E_RNA) where: Base-Base interactions energy: -1142.435 where: short stacking energy: -526.688 Base-Backbone interact. energy: -3.314 local terms energy: -625.780267 where: bonds (distance) C4'-P energy: -149.184 bonds (distance) P-C4' energy: -134.879 flat angles C4'-P-C4' energy: -142.246 flat angles P-C4'-P energy: -97.875 tors. eta vs tors. theta energy: -101.596 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: 9 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1612.198479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.198479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.198479 (E_RNA) where: Base-Base interactions energy: -1042.109 where: short stacking energy: -500.335 Base-Backbone interact. energy: -6.529 local terms energy: -563.560298 where: bonds (distance) C4'-P energy: -137.094 bonds (distance) P-C4' energy: -130.596 flat angles C4'-P-C4' energy: -115.238 flat angles P-C4'-P energy: -90.038 tors. eta vs tors. theta energy: -90.594 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: 8, replica: 3 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -1242.518785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.518785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.518785 (E_RNA) where: Base-Base interactions energy: -740.393 where: short stacking energy: -382.407 Base-Backbone interact. energy: 0.199 local terms energy: -502.325109 where: bonds (distance) C4'-P energy: -139.778 bonds (distance) P-C4' energy: -137.268 flat angles C4'-P-C4' energy: -103.703 flat angles P-C4'-P energy: -83.996 tors. eta vs tors. theta energy: -37.580 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: 6 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -1047.151207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.151207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.151207 (E_RNA) where: Base-Base interactions energy: -557.477 where: short stacking energy: -300.490 Base-Backbone interact. energy: 0.119 local terms energy: -489.793069 where: bonds (distance) C4'-P energy: -132.336 bonds (distance) P-C4' energy: -144.120 flat angles C4'-P-C4' energy: -126.413 flat angles P-C4'-P energy: -68.198 tors. eta vs tors. theta energy: -18.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -766.739934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.739934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.739934 (E_RNA) where: Base-Base interactions energy: -371.779 where: short stacking energy: -232.991 Base-Backbone interact. energy: 2.194 local terms energy: -397.154674 where: bonds (distance) C4'-P energy: -107.832 bonds (distance) P-C4' energy: -127.862 flat angles C4'-P-C4' energy: -121.841 flat angles P-C4'-P energy: -51.629 tors. eta vs tors. theta energy: 12.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -2676.750967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.750967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.750967 (E_RNA) where: Base-Base interactions energy: -1854.443 where: short stacking energy: -780.762 Base-Backbone interact. energy: 2.252 local terms energy: -824.559547 where: bonds (distance) C4'-P energy: -149.130 bonds (distance) P-C4' energy: -173.763 flat angles C4'-P-C4' energy: -164.787 flat angles P-C4'-P energy: -116.636 tors. eta vs tors. theta energy: -220.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -2491.222762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.222762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.222762 (E_RNA) where: Base-Base interactions energy: -1664.706 where: short stacking energy: -753.925 Base-Backbone interact. energy: -0.246 local terms energy: -826.271109 where: bonds (distance) C4'-P energy: -170.645 bonds (distance) P-C4' energy: -148.615 flat angles C4'-P-C4' energy: -181.154 flat angles P-C4'-P energy: -112.219 tors. eta vs tors. theta energy: -213.639 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: 3, replica: 10 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -2424.135336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.135336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.135336 (E_RNA) where: Base-Base interactions energy: -1656.438 where: short stacking energy: -739.361 Base-Backbone interact. energy: -5.669 local terms energy: -762.027568 where: bonds (distance) C4'-P energy: -147.369 bonds (distance) P-C4' energy: -160.861 flat angles C4'-P-C4' energy: -159.048 flat angles P-C4'-P energy: -107.457 tors. eta vs tors. theta energy: -187.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -2131.390142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.390142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.390142 (E_RNA) where: Base-Base interactions energy: -1426.880 where: short stacking energy: -604.264 Base-Backbone interact. energy: -0.511 local terms energy: -703.999705 where: bonds (distance) C4'-P energy: -141.675 bonds (distance) P-C4' energy: -137.261 flat angles C4'-P-C4' energy: -170.464 flat angles P-C4'-P energy: -99.450 tors. eta vs tors. theta energy: -155.150 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: 5, replica: 5 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1894.341072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.341072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.341072 (E_RNA) where: Base-Base interactions energy: -1240.230 where: short stacking energy: -576.911 Base-Backbone interact. energy: 1.926 local terms energy: -656.036897 where: bonds (distance) C4'-P energy: -139.753 bonds (distance) P-C4' energy: -138.451 flat angles C4'-P-C4' energy: -141.505 flat angles P-C4'-P energy: -98.642 tors. eta vs tors. theta energy: -137.686 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: 4 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1768.145782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.145782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.145782 (E_RNA) where: Base-Base interactions energy: -1160.587 where: short stacking energy: -519.323 Base-Backbone interact. energy: -1.838 local terms energy: -605.721219 where: bonds (distance) C4'-P energy: -121.938 bonds (distance) P-C4' energy: -146.407 flat angles C4'-P-C4' energy: -143.152 flat angles P-C4'-P energy: -94.166 tors. eta vs tors. theta energy: -100.058 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: 9 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1637.438894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.438894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.438894 (E_RNA) where: Base-Base interactions energy: -1040.507 where: short stacking energy: -478.657 Base-Backbone interact. energy: 0.936 local terms energy: -597.868535 where: bonds (distance) C4'-P energy: -119.441 bonds (distance) P-C4' energy: -146.319 flat angles C4'-P-C4' energy: -135.912 flat angles P-C4'-P energy: -100.110 tors. eta vs tors. theta energy: -96.086 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: 3 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -1305.417321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.417321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.417321 (E_RNA) where: Base-Base interactions energy: -778.178 where: short stacking energy: -392.579 Base-Backbone interact. energy: 0.905 local terms energy: -528.144359 where: bonds (distance) C4'-P energy: -120.688 bonds (distance) P-C4' energy: -138.479 flat angles C4'-P-C4' energy: -132.940 flat angles P-C4'-P energy: -76.443 tors. eta vs tors. theta energy: -59.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -1071.401901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.401901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.401901 (E_RNA) where: Base-Base interactions energy: -594.335 where: short stacking energy: -319.850 Base-Backbone interact. energy: 1.553 local terms energy: -478.619890 where: bonds (distance) C4'-P energy: -127.944 bonds (distance) P-C4' energy: -132.320 flat angles C4'-P-C4' energy: -123.403 flat angles P-C4'-P energy: -68.277 tors. eta vs tors. theta energy: -26.676 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: 1 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -842.469218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.469218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.469218 (E_RNA) where: Base-Base interactions energy: -399.112 where: short stacking energy: -253.357 Base-Backbone interact. energy: -3.788 local terms energy: -439.569194 where: bonds (distance) C4'-P energy: -116.894 bonds (distance) P-C4' energy: -120.233 flat angles C4'-P-C4' energy: -123.381 flat angles P-C4'-P energy: -82.163 tors. eta vs tors. theta energy: 3.101 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: 1, replica: 8 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -2675.818414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.818414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.818414 (E_RNA) where: Base-Base interactions energy: -1836.660 where: short stacking energy: -806.316 Base-Backbone interact. energy: -5.923 local terms energy: -833.235907 where: bonds (distance) C4'-P energy: -165.419 bonds (distance) P-C4' energy: -161.904 flat angles C4'-P-C4' energy: -177.943 flat angles P-C4'-P energy: -104.896 tors. eta vs tors. theta energy: -223.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -2470.513386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.513386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.513386 (E_RNA) where: Base-Base interactions energy: -1671.516 where: short stacking energy: -782.741 Base-Backbone interact. energy: -3.940 local terms energy: -795.057180 where: bonds (distance) C4'-P energy: -146.202 bonds (distance) P-C4' energy: -156.896 flat angles C4'-P-C4' energy: -167.219 flat angles P-C4'-P energy: -122.715 tors. eta vs tors. theta energy: -202.026 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: 3, replica: 10 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -2400.981400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.981400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.981400 (E_RNA) where: Base-Base interactions energy: -1632.110 where: short stacking energy: -722.093 Base-Backbone interact. energy: -6.715 local terms energy: -762.156843 where: bonds (distance) C4'-P energy: -152.171 bonds (distance) P-C4' energy: -157.123 flat angles C4'-P-C4' energy: -160.946 flat angles P-C4'-P energy: -101.954 tors. eta vs tors. theta energy: -189.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -2186.317506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.317506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.317506 (E_RNA) where: Base-Base interactions energy: -1450.476 where: short stacking energy: -633.490 Base-Backbone interact. energy: -5.883 local terms energy: -729.959359 where: bonds (distance) C4'-P energy: -154.431 bonds (distance) P-C4' energy: -145.532 flat angles C4'-P-C4' energy: -164.625 flat angles P-C4'-P energy: -91.565 tors. eta vs tors. theta energy: -173.807 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: 5 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1939.723070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.723070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.723070 (E_RNA) where: Base-Base interactions energy: -1252.089 where: short stacking energy: -546.933 Base-Backbone interact. energy: -6.689 local terms energy: -680.945482 where: bonds (distance) C4'-P energy: -148.660 bonds (distance) P-C4' energy: -146.408 flat angles C4'-P-C4' energy: -158.599 flat angles P-C4'-P energy: -99.118 tors. eta vs tors. theta energy: -128.160 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: 6, replica: 4 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1798.927191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.927191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.927191 (E_RNA) where: Base-Base interactions energy: -1171.248 where: short stacking energy: -545.422 Base-Backbone interact. energy: -0.604 local terms energy: -627.075341 where: bonds (distance) C4'-P energy: -137.987 bonds (distance) P-C4' energy: -130.269 flat angles C4'-P-C4' energy: -153.724 flat angles P-C4'-P energy: -94.247 tors. eta vs tors. theta energy: -110.849 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: 7, replica: 9 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1663.849196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.849196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.849196 (E_RNA) where: Base-Base interactions energy: -1085.805 where: short stacking energy: -515.865 Base-Backbone interact. energy: -2.513 local terms energy: -575.531584 where: bonds (distance) C4'-P energy: -137.440 bonds (distance) P-C4' energy: -128.335 flat angles C4'-P-C4' energy: -130.755 flat angles P-C4'-P energy: -74.744 tors. eta vs tors. theta energy: -104.258 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: 8, replica: 3 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -1294.165500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.165500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.165500 (E_RNA) where: Base-Base interactions energy: -749.706 where: short stacking energy: -385.335 Base-Backbone interact. energy: -1.462 local terms energy: -542.997674 where: bonds (distance) C4'-P energy: -130.145 bonds (distance) P-C4' energy: -136.567 flat angles C4'-P-C4' energy: -138.469 flat angles P-C4'-P energy: -92.907 tors. eta vs tors. theta energy: -44.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -1064.552252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.552252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.552252 (E_RNA) where: Base-Base interactions energy: -606.992 where: short stacking energy: -313.633 Base-Backbone interact. energy: 1.751 local terms energy: -459.311199 where: bonds (distance) C4'-P energy: -139.245 bonds (distance) P-C4' energy: -140.020 flat angles C4'-P-C4' energy: -110.458 flat angles P-C4'-P energy: -49.911 tors. eta vs tors. theta energy: -19.678 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: 10, replica: 1 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -861.528495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.528495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.528495 (E_RNA) where: Base-Base interactions energy: -420.232 where: short stacking energy: -257.807 Base-Backbone interact. energy: 0.181 local terms energy: -441.476962 where: bonds (distance) C4'-P energy: -132.949 bonds (distance) P-C4' energy: -121.359 flat angles C4'-P-C4' energy: -113.565 flat angles P-C4'-P energy: -69.817 tors. eta vs tors. theta energy: -3.787 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: 8 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -2701.220542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.220542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.220542 (E_RNA) where: Base-Base interactions energy: -1848.737 where: short stacking energy: -793.015 Base-Backbone interact. energy: -5.231 local terms energy: -847.252458 where: bonds (distance) C4'-P energy: -155.993 bonds (distance) P-C4' energy: -174.744 flat angles C4'-P-C4' energy: -186.850 flat angles P-C4'-P energy: -113.246 tors. eta vs tors. theta energy: -216.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -2490.414705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.414705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.414705 (E_RNA) where: Base-Base interactions energy: -1696.805 where: short stacking energy: -776.557 Base-Backbone interact. energy: -2.595 local terms energy: -791.014933 where: bonds (distance) C4'-P energy: -117.128 bonds (distance) P-C4' energy: -169.986 flat angles C4'-P-C4' energy: -179.587 flat angles P-C4'-P energy: -117.364 tors. eta vs tors. theta energy: -206.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -2399.909413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.909413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.909413 (E_RNA) where: Base-Base interactions energy: -1617.696 where: short stacking energy: -745.238 Base-Backbone interact. energy: -0.303 local terms energy: -781.910233 where: bonds (distance) C4'-P energy: -137.159 bonds (distance) P-C4' energy: -163.237 flat angles C4'-P-C4' energy: -158.639 flat angles P-C4'-P energy: -117.012 tors. eta vs tors. theta energy: -205.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -2224.152705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.152705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.152705 (E_RNA) where: Base-Base interactions energy: -1505.363 where: short stacking energy: -669.238 Base-Backbone interact. energy: 2.538 local terms energy: -721.328190 where: bonds (distance) C4'-P energy: -143.575 bonds (distance) P-C4' energy: -147.827 flat angles C4'-P-C4' energy: -161.889 flat angles P-C4'-P energy: -103.311 tors. eta vs tors. theta energy: -164.726 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: 5 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1985.296780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.296780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.296780 (E_RNA) where: Base-Base interactions energy: -1289.838 where: short stacking energy: -583.445 Base-Backbone interact. energy: -7.166 local terms energy: -688.292388 where: bonds (distance) C4'-P energy: -140.298 bonds (distance) P-C4' energy: -147.925 flat angles C4'-P-C4' energy: -154.243 flat angles P-C4'-P energy: -99.969 tors. eta vs tors. theta energy: -145.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1755.627787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.627787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.627787 (E_RNA) where: Base-Base interactions energy: -1097.290 where: short stacking energy: -521.750 Base-Backbone interact. energy: -0.061 local terms energy: -658.276578 where: bonds (distance) C4'-P energy: -133.299 bonds (distance) P-C4' energy: -155.262 flat angles C4'-P-C4' energy: -162.225 flat angles P-C4'-P energy: -101.092 tors. eta vs tors. theta energy: -106.398 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: 7, replica: 9 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1635.953870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.953870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.953870 (E_RNA) where: Base-Base interactions energy: -1066.712 where: short stacking energy: -459.252 Base-Backbone interact. energy: 3.797 local terms energy: -573.038569 where: bonds (distance) C4'-P energy: -141.377 bonds (distance) P-C4' energy: -159.007 flat angles C4'-P-C4' energy: -122.319 flat angles P-C4'-P energy: -71.660 tors. eta vs tors. theta energy: -78.675 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: 3 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -1339.345514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.345514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.345514 (E_RNA) where: Base-Base interactions energy: -794.158 where: short stacking energy: -388.462 Base-Backbone interact. energy: 0.319 local terms energy: -545.506301 where: bonds (distance) C4'-P energy: -153.475 bonds (distance) P-C4' energy: -135.309 flat angles C4'-P-C4' energy: -124.353 flat angles P-C4'-P energy: -94.819 tors. eta vs tors. theta energy: -37.551 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: 52 Temperature: 1.300000 Total energy: -1064.140007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.140007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.140007 (E_RNA) where: Base-Base interactions energy: -592.654 where: short stacking energy: -313.032 Base-Backbone interact. energy: 2.874 local terms energy: -474.360085 where: bonds (distance) C4'-P energy: -129.760 bonds (distance) P-C4' energy: -125.594 flat angles C4'-P-C4' energy: -131.071 flat angles P-C4'-P energy: -75.700 tors. eta vs tors. theta energy: -12.235 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: 1 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -768.518264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.518264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.518264 (E_RNA) where: Base-Base interactions energy: -343.149 where: short stacking energy: -233.884 Base-Backbone interact. energy: 0.500 local terms energy: -425.869851 where: bonds (distance) C4'-P energy: -117.628 bonds (distance) P-C4' energy: -130.344 flat angles C4'-P-C4' energy: -116.568 flat angles P-C4'-P energy: -65.972 tors. eta vs tors. theta energy: 4.642 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: 8 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -2688.574811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.574811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.574811 (E_RNA) where: Base-Base interactions energy: -1858.399 where: short stacking energy: -792.000 Base-Backbone interact. energy: -3.012 local terms energy: -827.163415 where: bonds (distance) C4'-P energy: -153.593 bonds (distance) P-C4' energy: -171.691 flat angles C4'-P-C4' energy: -171.353 flat angles P-C4'-P energy: -114.159 tors. eta vs tors. theta energy: -216.367 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: 7 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -2502.843847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.843847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.843847 (E_RNA) where: Base-Base interactions energy: -1694.590 where: short stacking energy: -754.610 Base-Backbone interact. energy: 3.344 local terms energy: -811.597913 where: bonds (distance) C4'-P energy: -157.994 bonds (distance) P-C4' energy: -161.773 flat angles C4'-P-C4' energy: -179.413 flat angles P-C4'-P energy: -117.972 tors. eta vs tors. theta energy: -194.445 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: 3, replica: 10 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -2407.680313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.680313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.680313 (E_RNA) where: Base-Base interactions energy: -1641.968 where: short stacking energy: -724.487 Base-Backbone interact. energy: -1.076 local terms energy: -764.635838 where: bonds (distance) C4'-P energy: -152.758 bonds (distance) P-C4' energy: -154.079 flat angles C4'-P-C4' energy: -166.097 flat angles P-C4'-P energy: -96.652 tors. eta vs tors. theta energy: -195.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -2215.678306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.678306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.678306 (E_RNA) where: Base-Base interactions energy: -1496.764 where: short stacking energy: -672.984 Base-Backbone interact. energy: -4.549 local terms energy: -714.365983 where: bonds (distance) C4'-P energy: -147.995 bonds (distance) P-C4' energy: -139.473 flat angles C4'-P-C4' energy: -157.918 flat angles P-C4'-P energy: -106.777 tors. eta vs tors. theta energy: -162.202 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: 5, replica: 5 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1967.864644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.864644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.864644 (E_RNA) where: Base-Base interactions energy: -1269.783 where: short stacking energy: -602.136 Base-Backbone interact. energy: -1.772 local terms energy: -696.309200 where: bonds (distance) C4'-P energy: -144.126 bonds (distance) P-C4' energy: -130.440 flat angles C4'-P-C4' energy: -151.351 flat angles P-C4'-P energy: -116.594 tors. eta vs tors. theta energy: -153.798 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: 6, replica: 4 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1814.724198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.724198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.724198 (E_RNA) where: Base-Base interactions energy: -1200.090 where: short stacking energy: -555.768 Base-Backbone interact. energy: 2.776 local terms energy: -617.410311 where: bonds (distance) C4'-P energy: -129.683 bonds (distance) P-C4' energy: -148.021 flat angles C4'-P-C4' energy: -150.960 flat angles P-C4'-P energy: -71.355 tors. eta vs tors. theta energy: -117.392 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: 7, replica: 9 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1662.073302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.073302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.073302 (E_RNA) where: Base-Base interactions energy: -1053.940 where: short stacking energy: -502.151 Base-Backbone interact. energy: 0.547 local terms energy: -608.680137 where: bonds (distance) C4'-P energy: -125.019 bonds (distance) P-C4' energy: -132.839 flat angles C4'-P-C4' energy: -150.151 flat angles P-C4'-P energy: -100.927 tors. eta vs tors. theta energy: -99.743 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: 3 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -1256.848866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.848866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.848866 (E_RNA) where: Base-Base interactions energy: -787.566 where: short stacking energy: -407.192 Base-Backbone interact. energy: -2.397 local terms energy: -466.885752 where: bonds (distance) C4'-P energy: -128.379 bonds (distance) P-C4' energy: -120.114 flat angles C4'-P-C4' energy: -103.666 flat angles P-C4'-P energy: -65.318 tors. eta vs tors. theta energy: -49.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -1124.892198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.892198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.892198 (E_RNA) where: Base-Base interactions energy: -637.339 where: short stacking energy: -312.566 Base-Backbone interact. energy: 5.251 local terms energy: -492.803480 where: bonds (distance) C4'-P energy: -123.970 bonds (distance) P-C4' energy: -139.278 flat angles C4'-P-C4' energy: -136.330 flat angles P-C4'-P energy: -70.047 tors. eta vs tors. theta energy: -23.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -728.342526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.342526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.342526 (E_RNA) where: Base-Base interactions energy: -311.874 where: short stacking energy: -184.746 Base-Backbone interact. energy: 0.387 local terms energy: -416.854810 where: bonds (distance) C4'-P energy: -128.320 bonds (distance) P-C4' energy: -118.907 flat angles C4'-P-C4' energy: -120.453 flat angles P-C4'-P energy: -84.328 tors. eta vs tors. theta energy: 35.153 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: 1, replica: 8 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -2687.221311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.221311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.221311 (E_RNA) where: Base-Base interactions energy: -1842.029 where: short stacking energy: -799.792 Base-Backbone interact. energy: 0.802 local terms energy: -845.993799 where: bonds (distance) C4'-P energy: -158.645 bonds (distance) P-C4' energy: -169.544 flat angles C4'-P-C4' energy: -192.745 flat angles P-C4'-P energy: -101.994 tors. eta vs tors. theta energy: -223.065 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: 2, replica: 7 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -2524.791458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.791458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.791458 (E_RNA) where: Base-Base interactions energy: -1718.635 where: short stacking energy: -733.075 Base-Backbone interact. energy: -1.304 local terms energy: -804.852354 where: bonds (distance) C4'-P energy: -142.680 bonds (distance) P-C4' energy: -163.963 flat angles C4'-P-C4' energy: -179.367 flat angles P-C4'-P energy: -127.061 tors. eta vs tors. theta energy: -191.781 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: 3, replica: 10 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -2433.124087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.124087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.124087 (E_RNA) where: Base-Base interactions energy: -1666.667 where: short stacking energy: -712.969 Base-Backbone interact. energy: -2.013 local terms energy: -764.444578 where: bonds (distance) C4'-P energy: -153.250 bonds (distance) P-C4' energy: -152.091 flat angles C4'-P-C4' energy: -161.781 flat angles P-C4'-P energy: -98.565 tors. eta vs tors. theta energy: -198.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -2199.323431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.323431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.323431 (E_RNA) where: Base-Base interactions energy: -1504.019 where: short stacking energy: -654.080 Base-Backbone interact. energy: -5.242 local terms energy: -690.061707 where: bonds (distance) C4'-P energy: -137.273 bonds (distance) P-C4' energy: -151.976 flat angles C4'-P-C4' energy: -154.792 flat angles P-C4'-P energy: -93.282 tors. eta vs tors. theta energy: -152.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -2001.819102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.819102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.819102 (E_RNA) where: Base-Base interactions energy: -1290.290 where: short stacking energy: -619.744 Base-Backbone interact. energy: -4.354 local terms energy: -707.174867 where: bonds (distance) C4'-P energy: -141.979 bonds (distance) P-C4' energy: -154.564 flat angles C4'-P-C4' energy: -152.285 flat angles P-C4'-P energy: -98.357 tors. eta vs tors. theta energy: -159.990 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: 4 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1964.679902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.679902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.679902 (E_RNA) where: Base-Base interactions energy: -1288.636 where: short stacking energy: -586.626 Base-Backbone interact. energy: -2.048 local terms energy: -673.995796 where: bonds (distance) C4'-P energy: -138.541 bonds (distance) P-C4' energy: -154.676 flat angles C4'-P-C4' energy: -145.106 flat angles P-C4'-P energy: -98.308 tors. eta vs tors. theta energy: -137.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1746.322154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.322154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.322154 (E_RNA) where: Base-Base interactions energy: -1145.845 where: short stacking energy: -522.321 Base-Backbone interact. energy: -4.373 local terms energy: -596.103491 where: bonds (distance) C4'-P energy: -137.239 bonds (distance) P-C4' energy: -118.655 flat angles C4'-P-C4' energy: -160.986 flat angles P-C4'-P energy: -72.381 tors. eta vs tors. theta energy: -106.843 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: 3 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -1243.591263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.591263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.591263 (E_RNA) where: Base-Base interactions energy: -699.236 where: short stacking energy: -356.258 Base-Backbone interact. energy: 3.215 local terms energy: -547.570798 where: bonds (distance) C4'-P energy: -139.505 bonds (distance) P-C4' energy: -143.637 flat angles C4'-P-C4' energy: -140.501 flat angles P-C4'-P energy: -88.900 tors. eta vs tors. theta energy: -35.028 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: 9, replica: 6 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -1058.146596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.146596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.146596 (E_RNA) where: Base-Base interactions energy: -570.462 where: short stacking energy: -326.350 Base-Backbone interact. energy: -1.977 local terms energy: -485.708229 where: bonds (distance) C4'-P energy: -105.425 bonds (distance) P-C4' energy: -138.244 flat angles C4'-P-C4' energy: -121.774 flat angles P-C4'-P energy: -68.801 tors. eta vs tors. theta energy: -51.464 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: 10, replica: 1 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -699.241307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.241307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.241307 (E_RNA) where: Base-Base interactions energy: -276.860 where: short stacking energy: -177.078 Base-Backbone interact. energy: 3.630 local terms energy: -426.012001 where: bonds (distance) C4'-P energy: -130.922 bonds (distance) P-C4' energy: -144.103 flat angles C4'-P-C4' energy: -100.168 flat angles P-C4'-P energy: -77.937 tors. eta vs tors. theta energy: 27.118 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: 8 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -2746.947311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.947311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.947311 (E_RNA) where: Base-Base interactions energy: -1906.142 where: short stacking energy: -801.414 Base-Backbone interact. energy: -5.609 local terms energy: -835.196105 where: bonds (distance) C4'-P energy: -152.112 bonds (distance) P-C4' energy: -152.394 flat angles C4'-P-C4' energy: -181.592 flat angles P-C4'-P energy: -122.859 tors. eta vs tors. theta energy: -226.239 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: 2, replica: 7 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -2536.951806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.951806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.951806 (E_RNA) where: Base-Base interactions energy: -1724.189 where: short stacking energy: -752.470 Base-Backbone interact. energy: -5.736 local terms energy: -807.026406 where: bonds (distance) C4'-P energy: -157.737 bonds (distance) P-C4' energy: -151.975 flat angles C4'-P-C4' energy: -179.343 flat angles P-C4'-P energy: -122.208 tors. eta vs tors. theta energy: -195.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -2430.031782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.031782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.031782 (E_RNA) where: Base-Base interactions energy: -1653.705 where: short stacking energy: -693.313 Base-Backbone interact. energy: -5.710 local terms energy: -770.616919 where: bonds (distance) C4'-P energy: -154.953 bonds (distance) P-C4' energy: -152.924 flat angles C4'-P-C4' energy: -165.737 flat angles P-C4'-P energy: -108.174 tors. eta vs tors. theta energy: -188.829 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: 4, replica: 2 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -2181.879895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.879895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.879895 (E_RNA) where: Base-Base interactions energy: -1492.242 where: short stacking energy: -633.931 Base-Backbone interact. energy: -6.128 local terms energy: -683.509449 where: bonds (distance) C4'-P energy: -133.663 bonds (distance) P-C4' energy: -146.030 flat angles C4'-P-C4' energy: -164.748 flat angles P-C4'-P energy: -87.660 tors. eta vs tors. theta energy: -151.408 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: 5, replica: 5 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1988.554121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.554121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.554121 (E_RNA) where: Base-Base interactions energy: -1299.312 where: short stacking energy: -609.885 Base-Backbone interact. energy: 1.382 local terms energy: -690.623683 where: bonds (distance) C4'-P energy: -152.923 bonds (distance) P-C4' energy: -142.854 flat angles C4'-P-C4' energy: -162.703 flat angles P-C4'-P energy: -91.511 tors. eta vs tors. theta energy: -140.632 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: 4 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1964.328179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.328179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.328179 (E_RNA) where: Base-Base interactions energy: -1293.981 where: short stacking energy: -591.866 Base-Backbone interact. energy: -2.249 local terms energy: -668.098142 where: bonds (distance) C4'-P energy: -139.529 bonds (distance) P-C4' energy: -127.998 flat angles C4'-P-C4' energy: -159.581 flat angles P-C4'-P energy: -100.198 tors. eta vs tors. theta energy: -140.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1760.855230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.855230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.855230 (E_RNA) where: Base-Base interactions energy: -1134.482 where: short stacking energy: -538.454 Base-Backbone interact. energy: 1.718 local terms energy: -628.090805 where: bonds (distance) C4'-P energy: -127.937 bonds (distance) P-C4' energy: -148.031 flat angles C4'-P-C4' energy: -153.152 flat angles P-C4'-P energy: -94.665 tors. eta vs tors. theta energy: -104.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -1322.989602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.989602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.989602 (E_RNA) where: Base-Base interactions energy: -782.927 where: short stacking energy: -383.963 Base-Backbone interact. energy: -1.964 local terms energy: -538.097749 where: bonds (distance) C4'-P energy: -135.840 bonds (distance) P-C4' energy: -150.527 flat angles C4'-P-C4' energy: -113.701 flat angles P-C4'-P energy: -92.545 tors. eta vs tors. theta energy: -45.484 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: 55 Temperature: 1.300000 Total energy: -1054.214288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.214288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.214288 (E_RNA) where: Base-Base interactions energy: -578.043 where: short stacking energy: -332.194 Base-Backbone interact. energy: 0.737 local terms energy: -476.908270 where: bonds (distance) C4'-P energy: -133.558 bonds (distance) P-C4' energy: -121.740 flat angles C4'-P-C4' energy: -124.083 flat angles P-C4'-P energy: -58.060 tors. eta vs tors. theta energy: -39.467 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: 10, replica: 1 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -699.835765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.835765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.835765 (E_RNA) where: Base-Base interactions energy: -300.178 where: short stacking energy: -193.736 Base-Backbone interact. energy: -3.685 local terms energy: -395.973067 where: bonds (distance) C4'-P energy: -150.831 bonds (distance) P-C4' energy: -134.858 flat angles C4'-P-C4' energy: -103.482 flat angles P-C4'-P energy: -40.066 tors. eta vs tors. theta energy: 33.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -2764.540861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.540861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.540861 (E_RNA) where: Base-Base interactions energy: -1912.660 where: short stacking energy: -802.253 Base-Backbone interact. energy: 1.669 local terms energy: -853.549094 where: bonds (distance) C4'-P energy: -180.659 bonds (distance) P-C4' energy: -141.536 flat angles C4'-P-C4' energy: -187.698 flat angles P-C4'-P energy: -111.400 tors. eta vs tors. theta energy: -232.256 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: 2, replica: 7 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -2513.853435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.853435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.853435 (E_RNA) where: Base-Base interactions energy: -1702.363 where: short stacking energy: -722.221 Base-Backbone interact. energy: -3.476 local terms energy: -808.014325 where: bonds (distance) C4'-P energy: -149.190 bonds (distance) P-C4' energy: -172.892 flat angles C4'-P-C4' energy: -175.552 flat angles P-C4'-P energy: -101.295 tors. eta vs tors. theta energy: -209.085 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: 3, replica: 10 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -2439.775734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.775734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.775734 (E_RNA) where: Base-Base interactions energy: -1663.698 where: short stacking energy: -728.726 Base-Backbone interact. energy: 1.082 local terms energy: -777.159217 where: bonds (distance) C4'-P energy: -141.091 bonds (distance) P-C4' energy: -149.013 flat angles C4'-P-C4' energy: -179.340 flat angles P-C4'-P energy: -117.090 tors. eta vs tors. theta energy: -190.626 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: 2 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -2250.614912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.614912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.614912 (E_RNA) where: Base-Base interactions energy: -1557.328 where: short stacking energy: -645.851 Base-Backbone interact. energy: -2.478 local terms energy: -690.808685 where: bonds (distance) C4'-P energy: -135.184 bonds (distance) P-C4' energy: -151.680 flat angles C4'-P-C4' energy: -144.909 flat angles P-C4'-P energy: -108.105 tors. eta vs tors. theta energy: -150.930 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: 5, replica: 4 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -2068.376312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.376312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.376312 (E_RNA) where: Base-Base interactions energy: -1383.090 where: short stacking energy: -640.444 Base-Backbone interact. energy: -2.256 local terms energy: -683.030092 where: bonds (distance) C4'-P energy: -120.307 bonds (distance) P-C4' energy: -150.895 flat angles C4'-P-C4' energy: -146.713 flat angles P-C4'-P energy: -102.252 tors. eta vs tors. theta energy: -162.863 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: 6, replica: 5 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1959.941332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.941332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.941332 (E_RNA) where: Base-Base interactions energy: -1303.765 where: short stacking energy: -595.375 Base-Backbone interact. energy: -0.230 local terms energy: -655.946814 where: bonds (distance) C4'-P energy: -130.818 bonds (distance) P-C4' energy: -134.203 flat angles C4'-P-C4' energy: -144.676 flat angles P-C4'-P energy: -98.225 tors. eta vs tors. theta energy: -148.025 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: 7, replica: 9 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1684.956572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.956572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.956572 (E_RNA) where: Base-Base interactions energy: -1072.469 where: short stacking energy: -489.206 Base-Backbone interact. energy: 4.584 local terms energy: -617.071016 where: bonds (distance) C4'-P energy: -127.670 bonds (distance) P-C4' energy: -166.235 flat angles C4'-P-C4' energy: -138.547 flat angles P-C4'-P energy: -96.475 tors. eta vs tors. theta energy: -88.144 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: 8, replica: 3 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -1346.241417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.241417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.241417 (E_RNA) where: Base-Base interactions energy: -775.050 where: short stacking energy: -413.765 Base-Backbone interact. energy: -2.867 local terms energy: -568.324639 where: bonds (distance) C4'-P energy: -129.442 bonds (distance) P-C4' energy: -139.271 flat angles C4'-P-C4' energy: -123.064 flat angles P-C4'-P energy: -88.641 tors. eta vs tors. theta energy: -87.906 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: 9, replica: 6 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -1083.384731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.384731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.384731 (E_RNA) where: Base-Base interactions energy: -604.833 where: short stacking energy: -299.528 Base-Backbone interact. energy: -1.916 local terms energy: -476.635638 where: bonds (distance) C4'-P energy: -132.441 bonds (distance) P-C4' energy: -131.027 flat angles C4'-P-C4' energy: -119.615 flat angles P-C4'-P energy: -68.829 tors. eta vs tors. theta energy: -24.723 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: 1 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -752.913617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.913617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.913617 (E_RNA) where: Base-Base interactions energy: -362.078 where: short stacking energy: -255.296 Base-Backbone interact. energy: 4.523 local terms energy: -395.358781 where: bonds (distance) C4'-P energy: -114.691 bonds (distance) P-C4' energy: -129.694 flat angles C4'-P-C4' energy: -115.095 flat angles P-C4'-P energy: -59.313 tors. eta vs tors. theta energy: 23.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -2799.800989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.800989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.800989 (E_RNA) where: Base-Base interactions energy: -1924.200 where: short stacking energy: -819.485 Base-Backbone interact. energy: -4.708 local terms energy: -870.893806 where: bonds (distance) C4'-P energy: -165.501 bonds (distance) P-C4' energy: -161.511 flat angles C4'-P-C4' energy: -186.447 flat angles P-C4'-P energy: -116.559 tors. eta vs tors. theta energy: -240.876 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: 7 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -2571.327162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.327162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.327162 (E_RNA) where: Base-Base interactions energy: -1746.780 where: short stacking energy: -763.869 Base-Backbone interact. energy: -1.244 local terms energy: -823.302772 where: bonds (distance) C4'-P energy: -155.492 bonds (distance) P-C4' energy: -178.572 flat angles C4'-P-C4' energy: -185.066 flat angles P-C4'-P energy: -105.199 tors. eta vs tors. theta energy: -198.975 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: 3, replica: 10 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -2451.053620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.053620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.053620 (E_RNA) where: Base-Base interactions energy: -1659.155 where: short stacking energy: -730.558 Base-Backbone interact. energy: -0.457 local terms energy: -791.441427 where: bonds (distance) C4'-P energy: -148.264 bonds (distance) P-C4' energy: -156.683 flat angles C4'-P-C4' energy: -169.677 flat angles P-C4'-P energy: -114.600 tors. eta vs tors. theta energy: -202.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -2265.073120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.073120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.073120 (E_RNA) where: Base-Base interactions energy: -1566.828 where: short stacking energy: -653.673 Base-Backbone interact. energy: -4.721 local terms energy: -693.524280 where: bonds (distance) C4'-P energy: -145.078 bonds (distance) P-C4' energy: -143.451 flat angles C4'-P-C4' energy: -162.682 flat angles P-C4'-P energy: -92.116 tors. eta vs tors. theta energy: -150.197 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: 5, replica: 4 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -2097.385338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.385338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.385338 (E_RNA) where: Base-Base interactions energy: -1394.055 where: short stacking energy: -658.223 Base-Backbone interact. energy: 4.691 local terms energy: -708.021466 where: bonds (distance) C4'-P energy: -146.451 bonds (distance) P-C4' energy: -141.824 flat angles C4'-P-C4' energy: -165.767 flat angles P-C4'-P energy: -109.879 tors. eta vs tors. theta energy: -144.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1911.214217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.214217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.214217 (E_RNA) where: Base-Base interactions energy: -1251.608 where: short stacking energy: -558.641 Base-Backbone interact. energy: 1.676 local terms energy: -661.282430 where: bonds (distance) C4'-P energy: -151.341 bonds (distance) P-C4' energy: -137.118 flat angles C4'-P-C4' energy: -144.011 flat angles P-C4'-P energy: -87.191 tors. eta vs tors. theta energy: -141.622 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: 7, replica: 9 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1726.927368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.927368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.927368 (E_RNA) where: Base-Base interactions energy: -1112.806 where: short stacking energy: -501.436 Base-Backbone interact. energy: -2.580 local terms energy: -611.541378 where: bonds (distance) C4'-P energy: -139.570 bonds (distance) P-C4' energy: -133.622 flat angles C4'-P-C4' energy: -140.626 flat angles P-C4'-P energy: -96.502 tors. eta vs tors. theta energy: -101.221 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: 8, replica: 3 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -1291.665252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.665252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.665252 (E_RNA) where: Base-Base interactions energy: -766.118 where: short stacking energy: -368.808 Base-Backbone interact. energy: 1.069 local terms energy: -526.615870 where: bonds (distance) C4'-P energy: -129.926 bonds (distance) P-C4' energy: -129.335 flat angles C4'-P-C4' energy: -130.766 flat angles P-C4'-P energy: -82.113 tors. eta vs tors. theta energy: -54.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -997.580076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.580076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.580076 (E_RNA) where: Base-Base interactions energy: -537.260 where: short stacking energy: -314.595 Base-Backbone interact. energy: -0.331 local terms energy: -459.989286 where: bonds (distance) C4'-P energy: -115.596 bonds (distance) P-C4' energy: -153.285 flat angles C4'-P-C4' energy: -124.061 flat angles P-C4'-P energy: -61.785 tors. eta vs tors. theta energy: -5.263 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: 10, replica: 1 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -754.776855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.776855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.776855 (E_RNA) where: Base-Base interactions energy: -312.851 where: short stacking energy: -192.922 Base-Backbone interact. energy: 2.112 local terms energy: -444.037673 where: bonds (distance) C4'-P energy: -99.671 bonds (distance) P-C4' energy: -149.377 flat angles C4'-P-C4' energy: -117.908 flat angles P-C4'-P energy: -84.017 tors. eta vs tors. theta energy: 6.935 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: 1, replica: 8 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -2777.019178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.019178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.019178 (E_RNA) where: Base-Base interactions energy: -1911.416 where: short stacking energy: -828.378 Base-Backbone interact. energy: -4.254 local terms energy: -861.348831 where: bonds (distance) C4'-P energy: -161.605 bonds (distance) P-C4' energy: -163.926 flat angles C4'-P-C4' energy: -178.852 flat angles P-C4'-P energy: -122.280 tors. eta vs tors. theta energy: -234.686 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: 2, replica: 7 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -2516.457738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.457738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.457738 (E_RNA) where: Base-Base interactions energy: -1714.970 where: short stacking energy: -735.015 Base-Backbone interact. energy: -3.856 local terms energy: -797.631630 where: bonds (distance) C4'-P energy: -151.049 bonds (distance) P-C4' energy: -172.141 flat angles C4'-P-C4' energy: -186.063 flat angles P-C4'-P energy: -94.211 tors. eta vs tors. theta energy: -194.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -2477.161541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.161541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.161541 (E_RNA) where: Base-Base interactions energy: -1687.051 where: short stacking energy: -731.069 Base-Backbone interact. energy: -0.007 local terms energy: -790.104479 where: bonds (distance) C4'-P energy: -155.169 bonds (distance) P-C4' energy: -151.917 flat angles C4'-P-C4' energy: -167.546 flat angles P-C4'-P energy: -118.842 tors. eta vs tors. theta energy: -196.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -2253.684774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.684774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.684774 (E_RNA) where: Base-Base interactions energy: -1535.072 where: short stacking energy: -675.912 Base-Backbone interact. energy: -4.872 local terms energy: -713.740737 where: bonds (distance) C4'-P energy: -150.678 bonds (distance) P-C4' energy: -148.350 flat angles C4'-P-C4' energy: -163.170 flat angles P-C4'-P energy: -88.252 tors. eta vs tors. theta energy: -163.291 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: 5, replica: 4 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -2031.656304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.656304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.656304 (E_RNA) where: Base-Base interactions energy: -1361.247 where: short stacking energy: -628.018 Base-Backbone interact. energy: 1.598 local terms energy: -672.007461 where: bonds (distance) C4'-P energy: -133.904 bonds (distance) P-C4' energy: -155.291 flat angles C4'-P-C4' energy: -145.796 flat angles P-C4'-P energy: -94.279 tors. eta vs tors. theta energy: -142.738 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: 5 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1965.402870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.402870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.402870 (E_RNA) where: Base-Base interactions energy: -1285.234 where: short stacking energy: -569.258 Base-Backbone interact. energy: -0.473 local terms energy: -679.696035 where: bonds (distance) C4'-P energy: -141.449 bonds (distance) P-C4' energy: -146.422 flat angles C4'-P-C4' energy: -143.725 flat angles P-C4'-P energy: -106.136 tors. eta vs tors. theta energy: -141.964 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: 7, replica: 9 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1723.153034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.153034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.153034 (E_RNA) where: Base-Base interactions energy: -1098.727 where: short stacking energy: -516.103 Base-Backbone interact. energy: 1.099 local terms energy: -625.525486 where: bonds (distance) C4'-P energy: -142.698 bonds (distance) P-C4' energy: -141.678 flat angles C4'-P-C4' energy: -149.104 flat angles P-C4'-P energy: -91.098 tors. eta vs tors. theta energy: -100.948 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: 3 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -1292.542902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.542902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.542902 (E_RNA) where: Base-Base interactions energy: -750.804 where: short stacking energy: -396.910 Base-Backbone interact. energy: 2.078 local terms energy: -543.817632 where: bonds (distance) C4'-P energy: -142.847 bonds (distance) P-C4' energy: -127.530 flat angles C4'-P-C4' energy: -143.689 flat angles P-C4'-P energy: -87.206 tors. eta vs tors. theta energy: -42.545 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: 58 Temperature: 1.300000 Total energy: -973.343568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.343568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.343568 (E_RNA) where: Base-Base interactions energy: -511.808 where: short stacking energy: -273.868 Base-Backbone interact. energy: 0.512 local terms energy: -462.048347 where: bonds (distance) C4'-P energy: -136.380 bonds (distance) P-C4' energy: -123.638 flat angles C4'-P-C4' energy: -120.476 flat angles P-C4'-P energy: -71.469 tors. eta vs tors. theta energy: -10.085 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: 10, replica: 1 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -761.887300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.887300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.887300 (E_RNA) where: Base-Base interactions energy: -333.780 where: short stacking energy: -217.629 Base-Backbone interact. energy: 1.832 local terms energy: -429.939528 where: bonds (distance) C4'-P energy: -141.652 bonds (distance) P-C4' energy: -141.449 flat angles C4'-P-C4' energy: -108.645 flat angles P-C4'-P energy: -56.657 tors. eta vs tors. theta energy: 18.464 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: 8 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -2771.837710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.837710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.837710 (E_RNA) where: Base-Base interactions energy: -1911.231 where: short stacking energy: -818.770 Base-Backbone interact. energy: -3.835 local terms energy: -856.771104 where: bonds (distance) C4'-P energy: -163.631 bonds (distance) P-C4' energy: -166.513 flat angles C4'-P-C4' energy: -182.301 flat angles P-C4'-P energy: -106.084 tors. eta vs tors. theta energy: -238.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -2542.205424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.205424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.205424 (E_RNA) where: Base-Base interactions energy: -1728.139 where: short stacking energy: -751.557 Base-Backbone interact. energy: -3.216 local terms energy: -810.850791 where: bonds (distance) C4'-P energy: -154.330 bonds (distance) P-C4' energy: -171.917 flat angles C4'-P-C4' energy: -173.905 flat angles P-C4'-P energy: -112.789 tors. eta vs tors. theta energy: -197.910 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: 10 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -2478.382749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.382749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.382749 (E_RNA) where: Base-Base interactions energy: -1699.421 where: short stacking energy: -747.946 Base-Backbone interact. energy: -2.513 local terms energy: -776.449102 where: bonds (distance) C4'-P energy: -152.143 bonds (distance) P-C4' energy: -148.611 flat angles C4'-P-C4' energy: -170.042 flat angles P-C4'-P energy: -101.158 tors. eta vs tors. theta energy: -204.495 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: 2 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -2213.422929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.422929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.422929 (E_RNA) where: Base-Base interactions energy: -1494.160 where: short stacking energy: -634.253 Base-Backbone interact. energy: -3.429 local terms energy: -715.833719 where: bonds (distance) C4'-P energy: -144.377 bonds (distance) P-C4' energy: -142.914 flat angles C4'-P-C4' energy: -174.268 flat angles P-C4'-P energy: -106.942 tors. eta vs tors. theta energy: -147.333 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: 59 Temperature: 1.100000 Total energy: -2013.662140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.662140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.662140 (E_RNA) where: Base-Base interactions energy: -1315.717 where: short stacking energy: -611.467 Base-Backbone interact. energy: -1.942 local terms energy: -696.002692 where: bonds (distance) C4'-P energy: -139.511 bonds (distance) P-C4' energy: -136.485 flat angles C4'-P-C4' energy: -155.847 flat angles P-C4'-P energy: -110.342 tors. eta vs tors. theta energy: -153.818 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: 6, replica: 5 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1920.244985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.244985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.244985 (E_RNA) where: Base-Base interactions energy: -1262.739 where: short stacking energy: -558.127 Base-Backbone interact. energy: -3.990 local terms energy: -653.515460 where: bonds (distance) C4'-P energy: -127.799 bonds (distance) P-C4' energy: -147.524 flat angles C4'-P-C4' energy: -155.651 flat angles P-C4'-P energy: -97.575 tors. eta vs tors. theta energy: -124.967 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: 7, replica: 9 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1737.370190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.370190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.370190 (E_RNA) where: Base-Base interactions energy: -1102.871 where: short stacking energy: -521.513 Base-Backbone interact. energy: 0.066 local terms energy: -634.565559 where: bonds (distance) C4'-P energy: -139.555 bonds (distance) P-C4' energy: -126.181 flat angles C4'-P-C4' energy: -160.901 flat angles P-C4'-P energy: -104.319 tors. eta vs tors. theta energy: -103.610 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: 3 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -1327.464875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.464875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.464875 (E_RNA) where: Base-Base interactions energy: -792.518 where: short stacking energy: -383.592 Base-Backbone interact. energy: 0.758 local terms energy: -535.704856 where: bonds (distance) C4'-P energy: -121.486 bonds (distance) P-C4' energy: -157.663 flat angles C4'-P-C4' energy: -128.758 flat angles P-C4'-P energy: -74.502 tors. eta vs tors. theta energy: -53.297 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: 59 Temperature: 1.300000 Total energy: -1056.399860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.399860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.399860 (E_RNA) where: Base-Base interactions energy: -591.346 where: short stacking energy: -314.619 Base-Backbone interact. energy: 2.421 local terms energy: -467.474626 where: bonds (distance) C4'-P energy: -116.862 bonds (distance) P-C4' energy: -127.760 flat angles C4'-P-C4' energy: -98.284 flat angles P-C4'-P energy: -96.549 tors. eta vs tors. theta energy: -28.020 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: 10, replica: 1 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -785.250550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.250550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.250550 (E_RNA) where: Base-Base interactions energy: -348.392 where: short stacking energy: -227.331 Base-Backbone interact. energy: 0.009 local terms energy: -436.866747 where: bonds (distance) C4'-P energy: -121.900 bonds (distance) P-C4' energy: -146.751 flat angles C4'-P-C4' energy: -105.200 flat angles P-C4'-P energy: -59.975 tors. eta vs tors. theta energy: -3.041 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: 8 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -2763.477684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.477684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.477684 (E_RNA) where: Base-Base interactions energy: -1918.234 where: short stacking energy: -824.580 Base-Backbone interact. energy: -3.226 local terms energy: -842.017373 where: bonds (distance) C4'-P energy: -152.286 bonds (distance) P-C4' energy: -160.610 flat angles C4'-P-C4' energy: -181.915 flat angles P-C4'-P energy: -109.240 tors. eta vs tors. theta energy: -237.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -2529.501364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.501364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.501364 (E_RNA) where: Base-Base interactions energy: -1729.431 where: short stacking energy: -762.353 Base-Backbone interact. energy: -3.149 local terms energy: -796.920961 where: bonds (distance) C4'-P energy: -149.801 bonds (distance) P-C4' energy: -142.817 flat angles C4'-P-C4' energy: -187.060 flat angles P-C4'-P energy: -109.229 tors. eta vs tors. theta energy: -208.014 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: 10 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -2486.320586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.320586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.320586 (E_RNA) where: Base-Base interactions energy: -1709.131 where: short stacking energy: -738.040 Base-Backbone interact. energy: -5.122 local terms energy: -772.067505 where: bonds (distance) C4'-P energy: -144.049 bonds (distance) P-C4' energy: -159.114 flat angles C4'-P-C4' energy: -174.520 flat angles P-C4'-P energy: -111.310 tors. eta vs tors. theta energy: -183.074 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: 60 Temperature: 1.050000 Total energy: -2204.232337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.232337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.232337 (E_RNA) where: Base-Base interactions energy: -1513.311 where: short stacking energy: -651.663 Base-Backbone interact. energy: 0.920 local terms energy: -691.841132 where: bonds (distance) C4'-P energy: -145.894 bonds (distance) P-C4' energy: -148.629 flat angles C4'-P-C4' energy: -166.905 flat angles P-C4'-P energy: -95.073 tors. eta vs tors. theta energy: -135.340 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: 60 Temperature: 1.100000 Total energy: -2028.147865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.147865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.147865 (E_RNA) where: Base-Base interactions energy: -1328.584 where: short stacking energy: -646.521 Base-Backbone interact. energy: -0.442 local terms energy: -699.122125 where: bonds (distance) C4'-P energy: -140.737 bonds (distance) P-C4' energy: -146.020 flat angles C4'-P-C4' energy: -157.756 flat angles P-C4'-P energy: -98.750 tors. eta vs tors. theta energy: -155.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -2006.183484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.183484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.183484 (E_RNA) where: Base-Base interactions energy: -1346.264 where: short stacking energy: -602.637 Base-Backbone interact. energy: -3.521 local terms energy: -656.398173 where: bonds (distance) C4'-P energy: -158.101 bonds (distance) P-C4' energy: -131.328 flat angles C4'-P-C4' energy: -150.514 flat angles P-C4'-P energy: -89.218 tors. eta vs tors. theta energy: -127.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1770.103171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.103171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.103171 (E_RNA) where: Base-Base interactions energy: -1171.888 where: short stacking energy: -509.400 Base-Backbone interact. energy: -2.122 local terms energy: -596.093665 where: bonds (distance) C4'-P energy: -126.247 bonds (distance) P-C4' energy: -138.687 flat angles C4'-P-C4' energy: -134.014 flat angles P-C4'-P energy: -91.475 tors. eta vs tors. theta energy: -105.671 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: 3 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1371.032049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.032049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.032049 (E_RNA) where: Base-Base interactions energy: -837.445 where: short stacking energy: -400.904 Base-Backbone interact. energy: 4.585 local terms energy: -538.172140 where: bonds (distance) C4'-P energy: -134.863 bonds (distance) P-C4' energy: -147.815 flat angles C4'-P-C4' energy: -115.890 flat angles P-C4'-P energy: -83.647 tors. eta vs tors. theta energy: -55.957 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: 9, replica: 6 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -1052.885437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.885437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.885437 (E_RNA) where: Base-Base interactions energy: -594.373 where: short stacking energy: -327.432 Base-Backbone interact. energy: -0.634 local terms energy: -457.878039 where: bonds (distance) C4'-P energy: -116.775 bonds (distance) P-C4' energy: -135.785 flat angles C4'-P-C4' energy: -138.999 flat angles P-C4'-P energy: -62.708 tors. eta vs tors. theta energy: -3.612 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: 10, replica: 1 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -810.498409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.498409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.498409 (E_RNA) where: Base-Base interactions energy: -360.956 where: short stacking energy: -187.098 Base-Backbone interact. energy: -1.101 local terms energy: -448.441392 where: bonds (distance) C4'-P energy: -124.039 bonds (distance) P-C4' energy: -151.940 flat angles C4'-P-C4' energy: -112.288 flat angles P-C4'-P energy: -70.541 tors. eta vs tors. theta energy: 10.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -2750.173785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.173785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.173785 (E_RNA) where: Base-Base interactions energy: -1895.279 where: short stacking energy: -810.872 Base-Backbone interact. energy: -5.678 local terms energy: -849.216613 where: bonds (distance) C4'-P energy: -162.518 bonds (distance) P-C4' energy: -148.331 flat angles C4'-P-C4' energy: -188.094 flat angles P-C4'-P energy: -118.799 tors. eta vs tors. theta energy: -231.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -2534.995896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.995896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.995896 (E_RNA) where: Base-Base interactions energy: -1728.216 where: short stacking energy: -754.812 Base-Backbone interact. energy: -3.281 local terms energy: -803.499522 where: bonds (distance) C4'-P energy: -158.812 bonds (distance) P-C4' energy: -154.209 flat angles C4'-P-C4' energy: -173.068 flat angles P-C4'-P energy: -122.098 tors. eta vs tors. theta energy: -195.312 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: 3, replica: 10 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -2450.585876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.585876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.585876 (E_RNA) where: Base-Base interactions energy: -1650.264 where: short stacking energy: -721.925 Base-Backbone interact. energy: -2.903 local terms energy: -797.418704 where: bonds (distance) C4'-P energy: -157.800 bonds (distance) P-C4' energy: -167.284 flat angles C4'-P-C4' energy: -168.094 flat angles P-C4'-P energy: -114.211 tors. eta vs tors. theta energy: -190.029 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: 2 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -2202.861270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.861270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.861270 (E_RNA) where: Base-Base interactions energy: -1484.717 where: short stacking energy: -646.904 Base-Backbone interact. energy: -0.164 local terms energy: -717.979606 where: bonds (distance) C4'-P energy: -151.911 bonds (distance) P-C4' energy: -147.430 flat angles C4'-P-C4' energy: -162.378 flat angles P-C4'-P energy: -101.325 tors. eta vs tors. theta energy: -154.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -2027.368383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.368383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.368383 (E_RNA) where: Base-Base interactions energy: -1345.126 where: short stacking energy: -640.744 Base-Backbone interact. energy: -0.827 local terms energy: -681.415461 where: bonds (distance) C4'-P energy: -127.174 bonds (distance) P-C4' energy: -133.586 flat angles C4'-P-C4' energy: -160.231 flat angles P-C4'-P energy: -104.186 tors. eta vs tors. theta energy: -156.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -2033.071527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.071527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.071527 (E_RNA) where: Base-Base interactions energy: -1388.864 where: short stacking energy: -606.349 Base-Backbone interact. energy: -1.457 local terms energy: -642.750126 where: bonds (distance) C4'-P energy: -142.612 bonds (distance) P-C4' energy: -117.613 flat angles C4'-P-C4' energy: -148.567 flat angles P-C4'-P energy: -90.606 tors. eta vs tors. theta energy: -143.352 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: 9 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1734.533526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.533526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.533526 (E_RNA) where: Base-Base interactions energy: -1130.646 where: short stacking energy: -510.011 Base-Backbone interact. energy: -2.867 local terms energy: -601.020365 where: bonds (distance) C4'-P energy: -134.209 bonds (distance) P-C4' energy: -136.361 flat angles C4'-P-C4' energy: -159.738 flat angles P-C4'-P energy: -70.622 tors. eta vs tors. theta energy: -100.091 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: 3 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1306.308834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.308834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.308834 (E_RNA) where: Base-Base interactions energy: -750.164 where: short stacking energy: -381.616 Base-Backbone interact. energy: 0.015 local terms energy: -556.159794 where: bonds (distance) C4'-P energy: -139.566 bonds (distance) P-C4' energy: -135.618 flat angles C4'-P-C4' energy: -133.317 flat angles P-C4'-P energy: -87.982 tors. eta vs tors. theta energy: -59.678 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: 6 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -1066.745086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.745086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.745086 (E_RNA) where: Base-Base interactions energy: -606.083 where: short stacking energy: -339.561 Base-Backbone interact. energy: -3.999 local terms energy: -456.662954 where: bonds (distance) C4'-P energy: -122.302 bonds (distance) P-C4' energy: -126.683 flat angles C4'-P-C4' energy: -114.772 flat angles P-C4'-P energy: -75.642 tors. eta vs tors. theta energy: -17.264 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: 10, replica: 1 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -797.545055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.545055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.545055 (E_RNA) where: Base-Base interactions energy: -388.305 where: short stacking energy: -216.174 Base-Backbone interact. energy: 9.453 local terms energy: -418.693238 where: bonds (distance) C4'-P energy: -119.991 bonds (distance) P-C4' energy: -136.739 flat angles C4'-P-C4' energy: -109.591 flat angles P-C4'-P energy: -70.720 tors. eta vs tors. theta energy: 18.349 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: 62 Temperature: 0.900000 Total energy: -2810.054826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.054826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.054826 (E_RNA) where: Base-Base interactions energy: -1946.347 where: short stacking energy: -809.682 Base-Backbone interact. energy: -4.476 local terms energy: -859.231647 where: bonds (distance) C4'-P energy: -158.623 bonds (distance) P-C4' energy: -182.515 flat angles C4'-P-C4' energy: -175.353 flat angles P-C4'-P energy: -116.409 tors. eta vs tors. theta energy: -226.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -2542.593778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.593778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.593778 (E_RNA) where: Base-Base interactions energy: -1759.658 where: short stacking energy: -754.653 Base-Backbone interact. energy: -3.993 local terms energy: -778.943630 where: bonds (distance) C4'-P energy: -132.718 bonds (distance) P-C4' energy: -150.627 flat angles C4'-P-C4' energy: -177.720 flat angles P-C4'-P energy: -114.923 tors. eta vs tors. theta energy: -202.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -2444.968277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.968277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.968277 (E_RNA) where: Base-Base interactions energy: -1662.591 where: short stacking energy: -725.757 Base-Backbone interact. energy: -3.920 local terms energy: -778.456467 where: bonds (distance) C4'-P energy: -159.252 bonds (distance) P-C4' energy: -140.016 flat angles C4'-P-C4' energy: -172.422 flat angles P-C4'-P energy: -108.991 tors. eta vs tors. theta energy: -197.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -2289.129505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.129505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.129505 (E_RNA) where: Base-Base interactions energy: -1547.334 where: short stacking energy: -670.884 Base-Backbone interact. energy: -3.035 local terms energy: -738.760749 where: bonds (distance) C4'-P energy: -141.884 bonds (distance) P-C4' energy: -146.276 flat angles C4'-P-C4' energy: -161.364 flat angles P-C4'-P energy: -120.039 tors. eta vs tors. theta energy: -169.198 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: 5, replica: 5 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -2189.026655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.026655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.026655 (E_RNA) where: Base-Base interactions energy: -1459.803 where: short stacking energy: -645.065 Base-Backbone interact. energy: -0.419 local terms energy: -728.804620 where: bonds (distance) C4'-P energy: -142.395 bonds (distance) P-C4' energy: -144.112 flat angles C4'-P-C4' energy: -157.858 flat angles P-C4'-P energy: -104.169 tors. eta vs tors. theta energy: -180.270 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: 4 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1997.096631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.096631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.096631 (E_RNA) where: Base-Base interactions energy: -1321.326 where: short stacking energy: -618.196 Base-Backbone interact. energy: -3.079 local terms energy: -672.692378 where: bonds (distance) C4'-P energy: -140.011 bonds (distance) P-C4' energy: -143.897 flat angles C4'-P-C4' energy: -133.330 flat angles P-C4'-P energy: -100.505 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: 7, replica: 9 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1690.167224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.167224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.167224 (E_RNA) where: Base-Base interactions energy: -1110.329 where: short stacking energy: -519.118 Base-Backbone interact. energy: -5.724 local terms energy: -574.114491 where: bonds (distance) C4'-P energy: -124.677 bonds (distance) P-C4' energy: -135.253 flat angles C4'-P-C4' energy: -139.237 flat angles P-C4'-P energy: -62.130 tors. eta vs tors. theta energy: -112.818 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: 8, replica: 3 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -1311.671114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.671114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.671114 (E_RNA) where: Base-Base interactions energy: -779.254 where: short stacking energy: -389.447 Base-Backbone interact. energy: -2.437 local terms energy: -529.980978 where: bonds (distance) C4'-P energy: -128.830 bonds (distance) P-C4' energy: -127.032 flat angles C4'-P-C4' energy: -133.854 flat angles P-C4'-P energy: -76.819 tors. eta vs tors. theta energy: -63.446 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: 9, replica: 6 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -1024.653455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.653455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.653455 (E_RNA) where: Base-Base interactions energy: -570.758 where: short stacking energy: -309.027 Base-Backbone interact. energy: 5.841 local terms energy: -459.736601 where: bonds (distance) C4'-P energy: -108.123 bonds (distance) P-C4' energy: -131.296 flat angles C4'-P-C4' energy: -136.220 flat angles P-C4'-P energy: -71.194 tors. eta vs tors. theta energy: -12.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -854.660294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.660294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.660294 (E_RNA) where: Base-Base interactions energy: -419.031 where: short stacking energy: -245.102 Base-Backbone interact. energy: -2.857 local terms energy: -432.772559 where: bonds (distance) C4'-P energy: -120.280 bonds (distance) P-C4' energy: -123.210 flat angles C4'-P-C4' energy: -126.764 flat angles P-C4'-P energy: -69.560 tors. eta vs tors. theta energy: 7.041 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: 8 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -2776.021660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.021660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.021660 (E_RNA) where: Base-Base interactions energy: -1926.499 where: short stacking energy: -843.619 Base-Backbone interact. energy: -5.998 local terms energy: -843.524995 where: bonds (distance) C4'-P energy: -151.534 bonds (distance) P-C4' energy: -156.959 flat angles C4'-P-C4' energy: -188.276 flat angles P-C4'-P energy: -113.281 tors. eta vs tors. theta energy: -233.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -2545.157936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.157936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.157936 (E_RNA) where: Base-Base interactions energy: -1745.649 where: short stacking energy: -751.655 Base-Backbone interact. energy: -4.574 local terms energy: -794.934648 where: bonds (distance) C4'-P energy: -136.291 bonds (distance) P-C4' energy: -158.145 flat angles C4'-P-C4' energy: -175.856 flat angles P-C4'-P energy: -124.626 tors. eta vs tors. theta energy: -200.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -2464.278108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.278108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.278108 (E_RNA) where: Base-Base interactions energy: -1687.310 where: short stacking energy: -730.975 Base-Backbone interact. energy: -2.147 local terms energy: -774.821064 where: bonds (distance) C4'-P energy: -142.934 bonds (distance) P-C4' energy: -159.178 flat angles C4'-P-C4' energy: -173.928 flat angles P-C4'-P energy: -107.520 tors. eta vs tors. theta energy: -191.262 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: 4, replica: 5 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -2237.115080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.115080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.115080 (E_RNA) where: Base-Base interactions energy: -1492.158 where: short stacking energy: -646.025 Base-Backbone interact. energy: -2.226 local terms energy: -742.730606 where: bonds (distance) C4'-P energy: -151.208 bonds (distance) P-C4' energy: -157.884 flat angles C4'-P-C4' energy: -149.199 flat angles P-C4'-P energy: -112.471 tors. eta vs tors. theta energy: -171.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -2159.044634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.044634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.044634 (E_RNA) where: Base-Base interactions energy: -1482.982 where: short stacking energy: -620.324 Base-Backbone interact. energy: -0.823 local terms energy: -675.239441 where: bonds (distance) C4'-P energy: -132.032 bonds (distance) P-C4' energy: -156.331 flat angles C4'-P-C4' energy: -149.440 flat angles P-C4'-P energy: -105.209 tors. eta vs tors. theta energy: -132.228 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: 4 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -2012.662746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.662746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.662746 (E_RNA) where: Base-Base interactions energy: -1354.053 where: short stacking energy: -617.017 Base-Backbone interact. energy: -4.317 local terms energy: -654.292593 where: bonds (distance) C4'-P energy: -132.372 bonds (distance) P-C4' energy: -129.123 flat angles C4'-P-C4' energy: -132.108 flat angles P-C4'-P energy: -109.797 tors. eta vs tors. theta energy: -150.892 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: 7, replica: 9 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1720.050240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.050240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.050240 (E_RNA) where: Base-Base interactions energy: -1149.786 where: short stacking energy: -515.496 Base-Backbone interact. energy: -3.807 local terms energy: -566.457961 where: bonds (distance) C4'-P energy: -117.444 bonds (distance) P-C4' energy: -125.103 flat angles C4'-P-C4' energy: -146.031 flat angles P-C4'-P energy: -82.757 tors. eta vs tors. theta energy: -95.124 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: 8, replica: 3 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1128.383790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.383790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.383790 (E_RNA) where: Base-Base interactions energy: -641.092 where: short stacking energy: -339.514 Base-Backbone interact. energy: 6.607 local terms energy: -493.898928 where: bonds (distance) C4'-P energy: -123.003 bonds (distance) P-C4' energy: -147.474 flat angles C4'-P-C4' energy: -117.065 flat angles P-C4'-P energy: -69.793 tors. eta vs tors. theta energy: -36.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -954.118321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.118321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.118321 (E_RNA) where: Base-Base interactions energy: -461.883 where: short stacking energy: -266.759 Base-Backbone interact. energy: -0.706 local terms energy: -491.529337 where: bonds (distance) C4'-P energy: -151.536 bonds (distance) P-C4' energy: -129.456 flat angles C4'-P-C4' energy: -110.564 flat angles P-C4'-P energy: -83.174 tors. eta vs tors. theta energy: -16.799 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: 10, replica: 1 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -783.847253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.847253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.847253 (E_RNA) where: Base-Base interactions energy: -380.361 where: short stacking energy: -217.526 Base-Backbone interact. energy: 1.991 local terms energy: -405.477154 where: bonds (distance) C4'-P energy: -127.565 bonds (distance) P-C4' energy: -115.719 flat angles C4'-P-C4' energy: -112.247 flat angles P-C4'-P energy: -68.448 tors. eta vs tors. theta energy: 18.502 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: 1, replica: 8 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -2758.180952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.180952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.180952 (E_RNA) where: Base-Base interactions energy: -1931.610 where: short stacking energy: -814.811 Base-Backbone interact. energy: -3.734 local terms energy: -822.836983 where: bonds (distance) C4'-P energy: -144.493 bonds (distance) P-C4' energy: -166.975 flat angles C4'-P-C4' energy: -171.884 flat angles P-C4'-P energy: -114.772 tors. eta vs tors. theta energy: -224.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -2567.706175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.706175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.706175 (E_RNA) where: Base-Base interactions energy: -1784.519 where: short stacking energy: -743.856 Base-Backbone interact. energy: -2.758 local terms energy: -780.429641 where: bonds (distance) C4'-P energy: -126.378 bonds (distance) P-C4' energy: -163.660 flat angles C4'-P-C4' energy: -190.763 flat angles P-C4'-P energy: -107.494 tors. eta vs tors. theta energy: -192.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -2504.924670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.924670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.924670 (E_RNA) where: Base-Base interactions energy: -1718.382 where: short stacking energy: -748.133 Base-Backbone interact. energy: -3.967 local terms energy: -782.576309 where: bonds (distance) C4'-P energy: -143.084 bonds (distance) P-C4' energy: -169.189 flat angles C4'-P-C4' energy: -171.235 flat angles P-C4'-P energy: -108.950 tors. eta vs tors. theta energy: -190.119 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: 5 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -2227.883333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.883333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.883333 (E_RNA) where: Base-Base interactions energy: -1499.445 where: short stacking energy: -674.849 Base-Backbone interact. energy: -5.041 local terms energy: -723.397422 where: bonds (distance) C4'-P energy: -145.828 bonds (distance) P-C4' energy: -151.354 flat angles C4'-P-C4' energy: -158.588 flat angles P-C4'-P energy: -99.004 tors. eta vs tors. theta energy: -168.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -2159.130687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.130687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.130687 (E_RNA) where: Base-Base interactions energy: -1450.443 where: short stacking energy: -676.148 Base-Backbone interact. energy: 0.860 local terms energy: -709.548090 where: bonds (distance) C4'-P energy: -130.360 bonds (distance) P-C4' energy: -156.902 flat angles C4'-P-C4' energy: -139.627 flat angles P-C4'-P energy: -108.657 tors. eta vs tors. theta energy: -174.001 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: 6, replica: 2 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -2027.004770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.004770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.004770 (E_RNA) where: Base-Base interactions energy: -1362.769 where: short stacking energy: -594.512 Base-Backbone interact. energy: -4.683 local terms energy: -659.552602 where: bonds (distance) C4'-P energy: -147.856 bonds (distance) P-C4' energy: -133.011 flat angles C4'-P-C4' energy: -163.287 flat angles P-C4'-P energy: -101.948 tors. eta vs tors. theta energy: -113.452 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: 64 Temperature: 1.200000 Total energy: -1723.580155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.580155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.580155 (E_RNA) where: Base-Base interactions energy: -1101.210 where: short stacking energy: -515.227 Base-Backbone interact. energy: -1.881 local terms energy: -620.489584 where: bonds (distance) C4'-P energy: -139.567 bonds (distance) P-C4' energy: -126.047 flat angles C4'-P-C4' energy: -147.961 flat angles P-C4'-P energy: -88.796 tors. eta vs tors. theta energy: -118.119 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: 8, replica: 3 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1122.958040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.958040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.958040 (E_RNA) where: Base-Base interactions energy: -593.355 where: short stacking energy: -351.776 Base-Backbone interact. energy: -0.230 local terms energy: -529.372915 where: bonds (distance) C4'-P energy: -117.250 bonds (distance) P-C4' energy: -140.384 flat angles C4'-P-C4' energy: -127.175 flat angles P-C4'-P energy: -97.602 tors. eta vs tors. theta energy: -46.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -1018.454211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.454211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.454211 (E_RNA) where: Base-Base interactions energy: -545.799 where: short stacking energy: -330.446 Base-Backbone interact. energy: -0.012 local terms energy: -472.643118 where: bonds (distance) C4'-P energy: -109.238 bonds (distance) P-C4' energy: -147.349 flat angles C4'-P-C4' energy: -134.485 flat angles P-C4'-P energy: -59.322 tors. eta vs tors. theta energy: -22.249 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: 10, replica: 1 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -851.524720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.524720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.524720 (E_RNA) where: Base-Base interactions energy: -422.164 where: short stacking energy: -267.857 Base-Backbone interact. energy: -0.747 local terms energy: -428.613303 where: bonds (distance) C4'-P energy: -134.942 bonds (distance) P-C4' energy: -128.027 flat angles C4'-P-C4' energy: -113.839 flat angles P-C4'-P energy: -50.700 tors. eta vs tors. theta energy: -1.105 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: 65 Temperature: 0.900000 Total energy: -2784.098212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.098212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.098212 (E_RNA) where: Base-Base interactions energy: -1938.200 where: short stacking energy: -801.411 Base-Backbone interact. energy: -5.060 local terms energy: -840.837388 where: bonds (distance) C4'-P energy: -152.711 bonds (distance) P-C4' energy: -153.592 flat angles C4'-P-C4' energy: -197.897 flat angles P-C4'-P energy: -112.683 tors. eta vs tors. theta energy: -223.954 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: 7 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -2532.686187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.686187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.686187 (E_RNA) where: Base-Base interactions energy: -1744.141 where: short stacking energy: -733.790 Base-Backbone interact. energy: -1.122 local terms energy: -787.423787 where: bonds (distance) C4'-P energy: -155.730 bonds (distance) P-C4' energy: -153.987 flat angles C4'-P-C4' energy: -182.470 flat angles P-C4'-P energy: -114.764 tors. eta vs tors. theta energy: -180.473 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: 10 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -2446.740519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.740519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.740519 (E_RNA) where: Base-Base interactions energy: -1677.315 where: short stacking energy: -739.510 Base-Backbone interact. energy: 4.161 local terms energy: -773.586621 where: bonds (distance) C4'-P energy: -133.629 bonds (distance) P-C4' energy: -167.809 flat angles C4'-P-C4' energy: -165.349 flat angles P-C4'-P energy: -115.561 tors. eta vs tors. theta energy: -191.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -2190.251742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.251742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.251742 (E_RNA) where: Base-Base interactions energy: -1429.213 where: short stacking energy: -679.595 Base-Backbone interact. energy: -4.298 local terms energy: -756.740670 where: bonds (distance) C4'-P energy: -158.197 bonds (distance) P-C4' energy: -161.235 flat angles C4'-P-C4' energy: -171.513 flat angles P-C4'-P energy: -93.996 tors. eta vs tors. theta energy: -171.800 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: 5 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -2187.636728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.636728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.636728 (E_RNA) where: Base-Base interactions energy: -1470.091 where: short stacking energy: -641.737 Base-Backbone interact. energy: 1.727 local terms energy: -719.272941 where: bonds (distance) C4'-P energy: -132.969 bonds (distance) P-C4' energy: -148.274 flat angles C4'-P-C4' energy: -154.273 flat angles P-C4'-P energy: -111.137 tors. eta vs tors. theta energy: -172.620 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: 2 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -2038.321071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.321071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.321071 (E_RNA) where: Base-Base interactions energy: -1363.086 where: short stacking energy: -584.069 Base-Backbone interact. energy: 0.579 local terms energy: -675.813364 where: bonds (distance) C4'-P energy: -142.489 bonds (distance) P-C4' energy: -151.511 flat angles C4'-P-C4' energy: -158.851 flat angles P-C4'-P energy: -88.601 tors. eta vs tors. theta energy: -134.360 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: 7, replica: 9 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1729.213084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.213084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.213084 (E_RNA) where: Base-Base interactions energy: -1104.775 where: short stacking energy: -507.041 Base-Backbone interact. energy: -1.467 local terms energy: -622.970802 where: bonds (distance) C4'-P energy: -128.359 bonds (distance) P-C4' energy: -152.997 flat angles C4'-P-C4' energy: -130.237 flat angles P-C4'-P energy: -105.619 tors. eta vs tors. theta energy: -105.759 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: 8, replica: 3 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -1128.057561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.057561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.057561 (E_RNA) where: Base-Base interactions energy: -635.559 where: short stacking energy: -354.818 Base-Backbone interact. energy: -1.561 local terms energy: -490.937604 where: bonds (distance) C4'-P energy: -121.943 bonds (distance) P-C4' energy: -119.378 flat angles C4'-P-C4' energy: -113.661 flat angles P-C4'-P energy: -89.221 tors. eta vs tors. theta energy: -46.735 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: 65 Temperature: 1.300000 Total energy: -973.354461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.354461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.354461 (E_RNA) where: Base-Base interactions energy: -489.542 where: short stacking energy: -258.497 Base-Backbone interact. energy: 5.305 local terms energy: -489.116726 where: bonds (distance) C4'-P energy: -139.101 bonds (distance) P-C4' energy: -138.301 flat angles C4'-P-C4' energy: -124.841 flat angles P-C4'-P energy: -88.728 tors. eta vs tors. theta energy: 1.854 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: 1 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -757.402220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.402220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.402220 (E_RNA) where: Base-Base interactions energy: -366.527 where: short stacking energy: -226.831 Base-Backbone interact. energy: -1.104 local terms energy: -389.771559 where: bonds (distance) C4'-P energy: -105.270 bonds (distance) P-C4' energy: -136.392 flat angles C4'-P-C4' energy: -92.935 flat angles P-C4'-P energy: -60.354 tors. eta vs tors. theta energy: 5.179 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: 66 Temperature: 0.900000 Total energy: -2767.705455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.705455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.705455 (E_RNA) where: Base-Base interactions energy: -1928.774 where: short stacking energy: -795.826 Base-Backbone interact. energy: 1.169 local terms energy: -840.099934 where: bonds (distance) C4'-P energy: -154.461 bonds (distance) P-C4' energy: -163.926 flat angles C4'-P-C4' energy: -181.193 flat angles P-C4'-P energy: -113.626 tors. eta vs tors. theta energy: -226.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -2539.973146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.973146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.973146 (E_RNA) where: Base-Base interactions energy: -1734.059 where: short stacking energy: -733.916 Base-Backbone interact. energy: -3.727 local terms energy: -802.186748 where: bonds (distance) C4'-P energy: -161.447 bonds (distance) P-C4' energy: -157.796 flat angles C4'-P-C4' energy: -172.843 flat angles P-C4'-P energy: -114.404 tors. eta vs tors. theta energy: -195.696 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: 3, replica: 10 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -2488.762956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.762956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.762956 (E_RNA) where: Base-Base interactions energy: -1709.742 where: short stacking energy: -732.321 Base-Backbone interact. energy: 0.397 local terms energy: -779.417439 where: bonds (distance) C4'-P energy: -156.030 bonds (distance) P-C4' energy: -146.704 flat angles C4'-P-C4' energy: -184.010 flat angles P-C4'-P energy: -104.087 tors. eta vs tors. theta energy: -188.586 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: 4 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -2197.493621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.493621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.493621 (E_RNA) where: Base-Base interactions energy: -1449.428 where: short stacking energy: -677.258 Base-Backbone interact. energy: -5.154 local terms energy: -742.912025 where: bonds (distance) C4'-P energy: -145.039 bonds (distance) P-C4' energy: -162.610 flat angles C4'-P-C4' energy: -159.610 flat angles P-C4'-P energy: -101.371 tors. eta vs tors. theta energy: -174.281 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: 5, replica: 5 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -2148.862171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.862171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.862171 (E_RNA) where: Base-Base interactions energy: -1425.316 where: short stacking energy: -631.149 Base-Backbone interact. energy: -0.238 local terms energy: -723.308267 where: bonds (distance) C4'-P energy: -151.931 bonds (distance) P-C4' energy: -141.806 flat angles C4'-P-C4' energy: -170.820 flat angles P-C4'-P energy: -100.411 tors. eta vs tors. theta energy: -158.340 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: 6, replica: 2 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -2018.517399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.517399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.517399 (E_RNA) where: Base-Base interactions energy: -1371.688 where: short stacking energy: -601.910 Base-Backbone interact. energy: -4.720 local terms energy: -642.110142 where: bonds (distance) C4'-P energy: -118.679 bonds (distance) P-C4' energy: -158.181 flat angles C4'-P-C4' energy: -157.503 flat angles P-C4'-P energy: -93.324 tors. eta vs tors. theta energy: -114.423 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: 9 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1778.636202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.636202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.636202 (E_RNA) where: Base-Base interactions energy: -1140.902 where: short stacking energy: -526.599 Base-Backbone interact. energy: -3.491 local terms energy: -634.243254 where: bonds (distance) C4'-P energy: -149.167 bonds (distance) P-C4' energy: -137.854 flat angles C4'-P-C4' energy: -136.272 flat angles P-C4'-P energy: -90.676 tors. eta vs tors. theta energy: -120.274 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: 3 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -1183.179666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.179666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.179666 (E_RNA) where: Base-Base interactions energy: -654.836 where: short stacking energy: -367.333 Base-Backbone interact. energy: -3.371 local terms energy: -524.972361 where: bonds (distance) C4'-P energy: -122.200 bonds (distance) P-C4' energy: -141.668 flat angles C4'-P-C4' energy: -122.434 flat angles P-C4'-P energy: -89.138 tors. eta vs tors. theta energy: -49.532 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: 9, replica: 6 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -1118.055067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.055067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.055067 (E_RNA) where: Base-Base interactions energy: -604.457 where: short stacking energy: -325.692 Base-Backbone interact. energy: 7.460 local terms energy: -521.057733 where: bonds (distance) C4'-P energy: -133.043 bonds (distance) P-C4' energy: -143.929 flat angles C4'-P-C4' energy: -115.387 flat angles P-C4'-P energy: -88.764 tors. eta vs tors. theta energy: -39.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -880.690295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.690295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.690295 (E_RNA) where: Base-Base interactions energy: -418.976 where: short stacking energy: -266.122 Base-Backbone interact. energy: 4.326 local terms energy: -466.040408 where: bonds (distance) C4'-P energy: -115.780 bonds (distance) P-C4' energy: -144.487 flat angles C4'-P-C4' energy: -99.427 flat angles P-C4'-P energy: -89.936 tors. eta vs tors. theta energy: -16.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -2756.944176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.944176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.944176 (E_RNA) where: Base-Base interactions energy: -1935.044 where: short stacking energy: -788.876 Base-Backbone interact. energy: -0.786 local terms energy: -821.113839 where: bonds (distance) C4'-P energy: -142.599 bonds (distance) P-C4' energy: -163.550 flat angles C4'-P-C4' energy: -167.041 flat angles P-C4'-P energy: -125.259 tors. eta vs tors. theta energy: -222.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -2523.628412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.628412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.628412 (E_RNA) where: Base-Base interactions energy: -1768.426 where: short stacking energy: -774.095 Base-Backbone interact. energy: -3.233 local terms energy: -751.968784 where: bonds (distance) C4'-P energy: -138.767 bonds (distance) P-C4' energy: -153.158 flat angles C4'-P-C4' energy: -168.862 flat angles P-C4'-P energy: -95.353 tors. eta vs tors. theta energy: -195.829 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: 10 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -2473.615007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.615007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.615007 (E_RNA) where: Base-Base interactions energy: -1695.898 where: short stacking energy: -706.936 Base-Backbone interact. energy: -0.786 local terms energy: -776.931164 where: bonds (distance) C4'-P energy: -135.003 bonds (distance) P-C4' energy: -160.320 flat angles C4'-P-C4' energy: -173.941 flat angles P-C4'-P energy: -107.611 tors. eta vs tors. theta energy: -200.057 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: 4, replica: 5 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -2242.782336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.782336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.782336 (E_RNA) where: Base-Base interactions energy: -1493.170 where: short stacking energy: -679.532 Base-Backbone interact. energy: -2.980 local terms energy: -746.632837 where: bonds (distance) C4'-P energy: -139.181 bonds (distance) P-C4' energy: -155.629 flat angles C4'-P-C4' energy: -173.621 flat angles P-C4'-P energy: -100.062 tors. eta vs tors. theta energy: -178.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -2119.603579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.603579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.603579 (E_RNA) where: Base-Base interactions energy: -1433.724 where: short stacking energy: -614.957 Base-Backbone interact. energy: 1.126 local terms energy: -687.004846 where: bonds (distance) C4'-P energy: -133.174 bonds (distance) P-C4' energy: -156.371 flat angles C4'-P-C4' energy: -153.046 flat angles P-C4'-P energy: -97.923 tors. eta vs tors. theta energy: -146.491 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: 2 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -2026.870552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.870552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.870552 (E_RNA) where: Base-Base interactions energy: -1378.286 where: short stacking energy: -596.627 Base-Backbone interact. energy: 1.026 local terms energy: -649.610251 where: bonds (distance) C4'-P energy: -134.813 bonds (distance) P-C4' energy: -137.466 flat angles C4'-P-C4' energy: -148.273 flat angles P-C4'-P energy: -87.737 tors. eta vs tors. theta energy: -141.321 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: 7, replica: 9 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1751.315992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.315992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.315992 (E_RNA) where: Base-Base interactions energy: -1144.133 where: short stacking energy: -509.924 Base-Backbone interact. energy: -2.175 local terms energy: -605.007506 where: bonds (distance) C4'-P energy: -129.190 bonds (distance) P-C4' energy: -140.988 flat angles C4'-P-C4' energy: -135.128 flat angles P-C4'-P energy: -99.573 tors. eta vs tors. theta energy: -100.128 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: 3 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1231.135596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.135596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.135596 (E_RNA) where: Base-Base interactions energy: -650.745 where: short stacking energy: -342.271 Base-Backbone interact. energy: -5.739 local terms energy: -574.651792 where: bonds (distance) C4'-P energy: -137.066 bonds (distance) P-C4' energy: -144.061 flat angles C4'-P-C4' energy: -138.098 flat angles P-C4'-P energy: -98.140 tors. eta vs tors. theta energy: -57.286 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: 9, replica: 6 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -1090.707719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.707719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.707719 (E_RNA) where: Base-Base interactions energy: -596.244 where: short stacking energy: -319.468 Base-Backbone interact. energy: 0.919 local terms energy: -495.383517 where: bonds (distance) C4'-P energy: -132.813 bonds (distance) P-C4' energy: -142.123 flat angles C4'-P-C4' energy: -128.077 flat angles P-C4'-P energy: -63.755 tors. eta vs tors. theta energy: -28.616 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: 10, replica: 1 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -777.818126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.818126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.818126 (E_RNA) where: Base-Base interactions energy: -371.147 where: short stacking energy: -257.023 Base-Backbone interact. energy: 0.807 local terms energy: -407.478291 where: bonds (distance) C4'-P energy: -106.900 bonds (distance) P-C4' energy: -117.713 flat angles C4'-P-C4' energy: -114.617 flat angles P-C4'-P energy: -67.462 tors. eta vs tors. theta energy: -0.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -2790.117399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.117399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.117399 (E_RNA) where: Base-Base interactions energy: -1938.379 where: short stacking energy: -798.252 Base-Backbone interact. energy: -5.929 local terms energy: -845.809185 where: bonds (distance) C4'-P energy: -154.433 bonds (distance) P-C4' energy: -170.220 flat angles C4'-P-C4' energy: -183.072 flat angles P-C4'-P energy: -114.707 tors. eta vs tors. theta energy: -223.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -2547.682158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.682158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.682158 (E_RNA) where: Base-Base interactions energy: -1752.017 where: short stacking energy: -778.251 Base-Backbone interact. energy: -3.358 local terms energy: -792.307095 where: bonds (distance) C4'-P energy: -145.568 bonds (distance) P-C4' energy: -163.570 flat angles C4'-P-C4' energy: -167.781 flat angles P-C4'-P energy: -103.052 tors. eta vs tors. theta energy: -212.337 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: 10 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -2481.256655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.256655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.256655 (E_RNA) where: Base-Base interactions energy: -1722.058 where: short stacking energy: -735.720 Base-Backbone interact. energy: -3.780 local terms energy: -755.418816 where: bonds (distance) C4'-P energy: -133.751 bonds (distance) P-C4' energy: -150.042 flat angles C4'-P-C4' energy: -170.389 flat angles P-C4'-P energy: -108.984 tors. eta vs tors. theta energy: -192.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -2206.101239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.101239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.101239 (E_RNA) where: Base-Base interactions energy: -1462.681 where: short stacking energy: -689.763 Base-Backbone interact. energy: 0.461 local terms energy: -743.881417 where: bonds (distance) C4'-P energy: -133.086 bonds (distance) P-C4' energy: -168.806 flat angles C4'-P-C4' energy: -155.159 flat angles P-C4'-P energy: -100.994 tors. eta vs tors. theta energy: -185.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -2081.222458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.222458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.222458 (E_RNA) where: Base-Base interactions energy: -1370.462 where: short stacking energy: -576.844 Base-Backbone interact. energy: -5.376 local terms energy: -705.384304 where: bonds (distance) C4'-P energy: -156.213 bonds (distance) P-C4' energy: -142.975 flat angles C4'-P-C4' energy: -166.716 flat angles P-C4'-P energy: -88.868 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: 6, replica: 2 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -2072.232098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.232098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.232098 (E_RNA) where: Base-Base interactions energy: -1421.705 where: short stacking energy: -607.620 Base-Backbone interact. energy: -2.577 local terms energy: -647.950129 where: bonds (distance) C4'-P energy: -138.990 bonds (distance) P-C4' energy: -112.404 flat angles C4'-P-C4' energy: -164.798 flat angles P-C4'-P energy: -95.182 tors. eta vs tors. theta energy: -136.576 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: 9 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1833.618353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.618353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.618353 (E_RNA) where: Base-Base interactions energy: -1194.140 where: short stacking energy: -554.865 Base-Backbone interact. energy: 1.182 local terms energy: -640.660879 where: bonds (distance) C4'-P energy: -130.320 bonds (distance) P-C4' energy: -144.687 flat angles C4'-P-C4' energy: -158.997 flat angles P-C4'-P energy: -82.304 tors. eta vs tors. theta energy: -124.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -1194.906007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.906007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.906007 (E_RNA) where: Base-Base interactions energy: -682.988 where: short stacking energy: -328.139 Base-Backbone interact. energy: 2.296 local terms energy: -514.214682 where: bonds (distance) C4'-P energy: -128.084 bonds (distance) P-C4' energy: -131.822 flat angles C4'-P-C4' energy: -125.680 flat angles P-C4'-P energy: -78.788 tors. eta vs tors. theta energy: -49.841 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: 9, replica: 6 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -1118.097932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.097932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.097932 (E_RNA) where: Base-Base interactions energy: -621.211 where: short stacking energy: -331.379 Base-Backbone interact. energy: 0.354 local terms energy: -497.241154 where: bonds (distance) C4'-P energy: -126.223 bonds (distance) P-C4' energy: -139.464 flat angles C4'-P-C4' energy: -132.437 flat angles P-C4'-P energy: -76.787 tors. eta vs tors. theta energy: -22.330 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: 10, replica: 1 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -792.813707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.813707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.813707 (E_RNA) where: Base-Base interactions energy: -378.300 where: short stacking energy: -229.211 Base-Backbone interact. energy: 5.493 local terms energy: -420.005898 where: bonds (distance) C4'-P energy: -108.695 bonds (distance) P-C4' energy: -112.713 flat angles C4'-P-C4' energy: -143.131 flat angles P-C4'-P energy: -67.373 tors. eta vs tors. theta energy: 11.907 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: 69 Temperature: 0.900000 Total energy: -2743.062417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.062417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.062417 (E_RNA) where: Base-Base interactions energy: -1931.848 where: short stacking energy: -789.365 Base-Backbone interact. energy: -3.823 local terms energy: -807.391775 where: bonds (distance) C4'-P energy: -157.613 bonds (distance) P-C4' energy: -158.546 flat angles C4'-P-C4' energy: -167.233 flat angles P-C4'-P energy: -104.658 tors. eta vs tors. theta energy: -219.341 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: 2, replica: 10 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -2597.452684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.452684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.452684 (E_RNA) where: Base-Base interactions energy: -1791.301 where: short stacking energy: -765.924 Base-Backbone interact. energy: -4.144 local terms energy: -802.008058 where: bonds (distance) C4'-P energy: -155.578 bonds (distance) P-C4' energy: -161.902 flat angles C4'-P-C4' energy: -176.035 flat angles P-C4'-P energy: -112.660 tors. eta vs tors. theta energy: -195.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -2410.662530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.662530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.662530 (E_RNA) where: Base-Base interactions energy: -1639.951 where: short stacking energy: -730.108 Base-Backbone interact. energy: -1.435 local terms energy: -769.277073 where: bonds (distance) C4'-P energy: -145.963 bonds (distance) P-C4' energy: -156.207 flat angles C4'-P-C4' energy: -165.614 flat angles P-C4'-P energy: -102.250 tors. eta vs tors. theta energy: -199.242 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: 4, replica: 5 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -2284.974864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.974864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.974864 (E_RNA) where: Base-Base interactions energy: -1523.281 where: short stacking energy: -716.980 Base-Backbone interact. energy: 0.033 local terms energy: -761.726714 where: bonds (distance) C4'-P energy: -137.329 bonds (distance) P-C4' energy: -143.248 flat angles C4'-P-C4' energy: -170.609 flat angles P-C4'-P energy: -117.102 tors. eta vs tors. theta energy: -193.438 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: 4 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -2175.866618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.866618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.866618 (E_RNA) where: Base-Base interactions energy: -1439.041 where: short stacking energy: -648.451 Base-Backbone interact. energy: -3.030 local terms energy: -733.795828 where: bonds (distance) C4'-P energy: -151.909 bonds (distance) P-C4' energy: -160.966 flat angles C4'-P-C4' energy: -151.703 flat angles P-C4'-P energy: -102.395 tors. eta vs tors. theta energy: -166.823 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: 6, replica: 2 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -2080.808297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.808297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.808297 (E_RNA) where: Base-Base interactions energy: -1410.843 where: short stacking energy: -634.602 Base-Backbone interact. energy: 1.127 local terms energy: -671.092656 where: bonds (distance) C4'-P energy: -132.898 bonds (distance) P-C4' energy: -152.083 flat angles C4'-P-C4' energy: -142.178 flat angles P-C4'-P energy: -100.110 tors. eta vs tors. theta energy: -143.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1838.067521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.067521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.067521 (E_RNA) where: Base-Base interactions energy: -1174.022 where: short stacking energy: -503.494 Base-Backbone interact. energy: -3.507 local terms energy: -660.538038 where: bonds (distance) C4'-P energy: -149.723 bonds (distance) P-C4' energy: -148.470 flat angles C4'-P-C4' energy: -147.788 flat angles P-C4'-P energy: -91.818 tors. eta vs tors. theta energy: -122.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1226.565542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.565542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.565542 (E_RNA) where: Base-Base interactions energy: -731.669 where: short stacking energy: -373.823 Base-Backbone interact. energy: -1.537 local terms energy: -493.358742 where: bonds (distance) C4'-P energy: -143.559 bonds (distance) P-C4' energy: -133.407 flat angles C4'-P-C4' energy: -124.268 flat angles P-C4'-P energy: -52.385 tors. eta vs tors. theta energy: -39.739 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: 9, replica: 6 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -1080.717105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.717105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.717105 (E_RNA) where: Base-Base interactions energy: -600.589 where: short stacking energy: -313.927 Base-Backbone interact. energy: 3.868 local terms energy: -483.995951 where: bonds (distance) C4'-P energy: -127.707 bonds (distance) P-C4' energy: -131.689 flat angles C4'-P-C4' energy: -123.975 flat angles P-C4'-P energy: -69.162 tors. eta vs tors. theta energy: -31.464 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: 10, replica: 1 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -767.466663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.466663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.466663 (E_RNA) where: Base-Base interactions energy: -338.625 where: short stacking energy: -211.209 Base-Backbone interact. energy: -2.507 local terms energy: -426.334866 where: bonds (distance) C4'-P energy: -133.532 bonds (distance) P-C4' energy: -119.432 flat angles C4'-P-C4' energy: -102.196 flat angles P-C4'-P energy: -84.385 tors. eta vs tors. theta energy: 13.210 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: 1, replica: 8 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2770.212394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.212394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.212394 (E_RNA) where: Base-Base interactions energy: -1923.247 where: short stacking energy: -798.774 Base-Backbone interact. energy: -4.593 local terms energy: -842.372352 where: bonds (distance) C4'-P energy: -146.577 bonds (distance) P-C4' energy: -150.032 flat angles C4'-P-C4' energy: -196.335 flat angles P-C4'-P energy: -122.358 tors. eta vs tors. theta energy: -227.071 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: 10 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -2575.778304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.778304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.778304 (E_RNA) where: Base-Base interactions energy: -1756.883 where: short stacking energy: -754.492 Base-Backbone interact. energy: -1.851 local terms energy: -817.043880 where: bonds (distance) C4'-P energy: -155.512 bonds (distance) P-C4' energy: -150.485 flat angles C4'-P-C4' energy: -181.070 flat angles P-C4'-P energy: -128.839 tors. eta vs tors. theta energy: -201.138 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: 7 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -2412.049332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.049332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.049332 (E_RNA) where: Base-Base interactions energy: -1661.659 where: short stacking energy: -735.380 Base-Backbone interact. energy: -5.428 local terms energy: -744.961823 where: bonds (distance) C4'-P energy: -140.155 bonds (distance) P-C4' energy: -152.196 flat angles C4'-P-C4' energy: -169.251 flat angles P-C4'-P energy: -112.185 tors. eta vs tors. theta energy: -171.174 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: 4, replica: 5 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -2297.352728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.352728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.352728 (E_RNA) where: Base-Base interactions energy: -1567.417 where: short stacking energy: -691.093 Base-Backbone interact. energy: -1.859 local terms energy: -728.076584 where: bonds (distance) C4'-P energy: -141.190 bonds (distance) P-C4' energy: -144.597 flat angles C4'-P-C4' energy: -155.202 flat angles P-C4'-P energy: -101.538 tors. eta vs tors. theta energy: -185.549 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: 5, replica: 4 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -2186.206956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.206956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.206956 (E_RNA) where: Base-Base interactions energy: -1484.348 where: short stacking energy: -654.709 Base-Backbone interact. energy: -5.457 local terms energy: -696.401437 where: bonds (distance) C4'-P energy: -136.143 bonds (distance) P-C4' energy: -141.076 flat angles C4'-P-C4' energy: -158.292 flat angles P-C4'-P energy: -98.011 tors. eta vs tors. theta energy: -162.879 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: 2 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -2027.951682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.951682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.951682 (E_RNA) where: Base-Base interactions energy: -1387.578 where: short stacking energy: -577.159 Base-Backbone interact. energy: -3.006 local terms energy: -637.367403 where: bonds (distance) C4'-P energy: -118.068 bonds (distance) P-C4' energy: -144.436 flat angles C4'-P-C4' energy: -156.318 flat angles P-C4'-P energy: -98.397 tors. eta vs tors. theta energy: -120.148 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: 70 Temperature: 1.200000 Total energy: -1845.118431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.118431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.118431 (E_RNA) where: Base-Base interactions energy: -1244.239 where: short stacking energy: -576.999 Base-Backbone interact. energy: -0.121 local terms energy: -600.757960 where: bonds (distance) C4'-P energy: -126.174 bonds (distance) P-C4' energy: -137.648 flat angles C4'-P-C4' energy: -132.647 flat angles P-C4'-P energy: -70.545 tors. eta vs tors. theta energy: -133.744 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: 8, replica: 3 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -1283.631985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.631985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.631985 (E_RNA) where: Base-Base interactions energy: -772.294 where: short stacking energy: -413.771 Base-Backbone interact. energy: -0.365 local terms energy: -510.972635 where: bonds (distance) C4'-P energy: -125.450 bonds (distance) P-C4' energy: -141.236 flat angles C4'-P-C4' energy: -122.239 flat angles P-C4'-P energy: -65.726 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: 9, replica: 6 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -1042.626463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.626463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.626463 (E_RNA) where: Base-Base interactions energy: -560.140 where: short stacking energy: -313.324 Base-Backbone interact. energy: 0.272 local terms energy: -482.758157 where: bonds (distance) C4'-P energy: -127.830 bonds (distance) P-C4' energy: -151.791 flat angles C4'-P-C4' energy: -121.431 flat angles P-C4'-P energy: -68.858 tors. eta vs tors. theta energy: -12.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -807.226886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.226886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.226886 (E_RNA) where: Base-Base interactions energy: -408.047 where: short stacking energy: -231.170 Base-Backbone interact. energy: 1.050 local terms energy: -400.230588 where: bonds (distance) C4'-P energy: -112.162 bonds (distance) P-C4' energy: -135.785 flat angles C4'-P-C4' energy: -105.058 flat angles P-C4'-P energy: -58.534 tors. eta vs tors. theta energy: 11.308 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: 1, replica: 8 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -2758.514803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.514803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.514803 (E_RNA) where: Base-Base interactions energy: -1944.298 where: short stacking energy: -798.713 Base-Backbone interact. energy: -5.038 local terms energy: -809.178876 where: bonds (distance) C4'-P energy: -125.315 bonds (distance) P-C4' energy: -171.729 flat angles C4'-P-C4' energy: -178.895 flat angles P-C4'-P energy: -107.939 tors. eta vs tors. theta energy: -225.302 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: 10 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -2537.967245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.967245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.967245 (E_RNA) where: Base-Base interactions energy: -1757.062 where: short stacking energy: -746.426 Base-Backbone interact. energy: -1.223 local terms energy: -779.682160 where: bonds (distance) C4'-P energy: -146.923 bonds (distance) P-C4' energy: -166.401 flat angles C4'-P-C4' energy: -158.744 flat angles P-C4'-P energy: -114.236 tors. eta vs tors. theta energy: -193.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -2431.917034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.917034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.917034 (E_RNA) where: Base-Base interactions energy: -1654.836 where: short stacking energy: -726.153 Base-Backbone interact. energy: -1.616 local terms energy: -775.464812 where: bonds (distance) C4'-P energy: -155.721 bonds (distance) P-C4' energy: -146.645 flat angles C4'-P-C4' energy: -164.604 flat angles P-C4'-P energy: -115.897 tors. eta vs tors. theta energy: -192.598 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: 4, replica: 5 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -2270.465925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.465925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.465925 (E_RNA) where: Base-Base interactions energy: -1550.511 where: short stacking energy: -684.594 Base-Backbone interact. energy: -3.204 local terms energy: -716.751141 where: bonds (distance) C4'-P energy: -124.665 bonds (distance) P-C4' energy: -139.241 flat angles C4'-P-C4' energy: -169.648 flat angles P-C4'-P energy: -96.841 tors. eta vs tors. theta energy: -186.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -2279.900608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.900608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.900608 (E_RNA) where: Base-Base interactions energy: -1529.555 where: short stacking energy: -683.855 Base-Backbone interact. energy: 3.440 local terms energy: -753.786391 where: bonds (distance) C4'-P energy: -136.934 bonds (distance) P-C4' energy: -158.502 flat angles C4'-P-C4' energy: -163.859 flat angles P-C4'-P energy: -110.537 tors. eta vs tors. theta energy: -183.954 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: 6, replica: 2 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -2083.731134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.731134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.731134 (E_RNA) where: Base-Base interactions energy: -1420.989 where: short stacking energy: -605.540 Base-Backbone interact. energy: -2.384 local terms energy: -660.357318 where: bonds (distance) C4'-P energy: -136.196 bonds (distance) P-C4' energy: -141.802 flat angles C4'-P-C4' energy: -149.144 flat angles P-C4'-P energy: -82.248 tors. eta vs tors. theta energy: -150.967 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: 7, replica: 9 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1804.044378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.044378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.044378 (E_RNA) where: Base-Base interactions energy: -1175.851 where: short stacking energy: -509.008 Base-Backbone interact. energy: 2.448 local terms energy: -630.641381 where: bonds (distance) C4'-P energy: -149.603 bonds (distance) P-C4' energy: -144.791 flat angles C4'-P-C4' energy: -145.448 flat angles P-C4'-P energy: -83.283 tors. eta vs tors. theta energy: -107.515 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: 8, replica: 3 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1364.150853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.150853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.150853 (E_RNA) where: Base-Base interactions energy: -837.372 where: short stacking energy: -403.700 Base-Backbone interact. energy: 9.957 local terms energy: -536.735301 where: bonds (distance) C4'-P energy: -116.342 bonds (distance) P-C4' energy: -132.782 flat angles C4'-P-C4' energy: -117.687 flat angles P-C4'-P energy: -96.540 tors. eta vs tors. theta energy: -73.384 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: 6 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -1107.970140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.970140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.970140 (E_RNA) where: Base-Base interactions energy: -615.147 where: short stacking energy: -313.161 Base-Backbone interact. energy: -2.258 local terms energy: -490.565052 where: bonds (distance) C4'-P energy: -120.594 bonds (distance) P-C4' energy: -143.413 flat angles C4'-P-C4' energy: -117.169 flat angles P-C4'-P energy: -92.376 tors. eta vs tors. theta energy: -17.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -843.521642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.521642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.521642 (E_RNA) where: Base-Base interactions energy: -397.662 where: short stacking energy: -240.809 Base-Backbone interact. energy: -1.806 local terms energy: -444.053144 where: bonds (distance) C4'-P energy: -127.730 bonds (distance) P-C4' energy: -142.262 flat angles C4'-P-C4' energy: -118.329 flat angles P-C4'-P energy: -57.448 tors. eta vs tors. theta energy: 1.717 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: 1, replica: 8 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -2788.875965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.875965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.875965 (E_RNA) where: Base-Base interactions energy: -1943.572 where: short stacking energy: -794.329 Base-Backbone interact. energy: 0.114 local terms energy: -845.418235 where: bonds (distance) C4'-P energy: -151.943 bonds (distance) P-C4' energy: -174.464 flat angles C4'-P-C4' energy: -184.258 flat angles P-C4'-P energy: -110.314 tors. eta vs tors. theta energy: -224.439 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: 2, replica: 10 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -2524.575452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.575452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.575452 (E_RNA) where: Base-Base interactions energy: -1749.651 where: short stacking energy: -752.230 Base-Backbone interact. energy: -5.327 local terms energy: -769.598107 where: bonds (distance) C4'-P energy: -141.731 bonds (distance) P-C4' energy: -142.581 flat angles C4'-P-C4' energy: -181.349 flat angles P-C4'-P energy: -113.083 tors. eta vs tors. theta energy: -190.855 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: 3, replica: 7 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -2435.121662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.121662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.121662 (E_RNA) where: Base-Base interactions energy: -1638.420 where: short stacking energy: -750.600 Base-Backbone interact. energy: 0.645 local terms energy: -797.346175 where: bonds (distance) C4'-P energy: -159.619 bonds (distance) P-C4' energy: -156.490 flat angles C4'-P-C4' energy: -186.527 flat angles P-C4'-P energy: -109.248 tors. eta vs tors. theta energy: -185.463 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: 5 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -2279.147522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.147522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.147522 (E_RNA) where: Base-Base interactions energy: -1515.104 where: short stacking energy: -687.545 Base-Backbone interact. energy: -3.633 local terms energy: -760.410742 where: bonds (distance) C4'-P energy: -155.535 bonds (distance) P-C4' energy: -152.289 flat angles C4'-P-C4' energy: -166.958 flat angles P-C4'-P energy: -101.428 tors. eta vs tors. theta energy: -184.200 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: 4 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -2190.726307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.726307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.726307 (E_RNA) where: Base-Base interactions energy: -1458.714 where: short stacking energy: -670.028 Base-Backbone interact. energy: -2.263 local terms energy: -729.749481 where: bonds (distance) C4'-P energy: -132.902 bonds (distance) P-C4' energy: -145.812 flat angles C4'-P-C4' energy: -159.839 flat angles P-C4'-P energy: -102.451 tors. eta vs tors. theta energy: -188.745 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: 6, replica: 2 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -2029.859817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.859817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.859817 (E_RNA) where: Base-Base interactions energy: -1378.609 where: short stacking energy: -573.110 Base-Backbone interact. energy: -4.614 local terms energy: -646.636751 where: bonds (distance) C4'-P energy: -125.472 bonds (distance) P-C4' energy: -153.099 flat angles C4'-P-C4' energy: -138.678 flat angles P-C4'-P energy: -94.462 tors. eta vs tors. theta energy: -134.925 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: 7, replica: 9 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1843.968420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.968420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.968420 (E_RNA) where: Base-Base interactions energy: -1198.198 where: short stacking energy: -498.896 Base-Backbone interact. energy: -3.612 local terms energy: -642.159060 where: bonds (distance) C4'-P energy: -141.935 bonds (distance) P-C4' energy: -135.612 flat angles C4'-P-C4' energy: -157.149 flat angles P-C4'-P energy: -91.549 tors. eta vs tors. theta energy: -115.913 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: 3 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -1356.954475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.954475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.954475 (E_RNA) where: Base-Base interactions energy: -819.627 where: short stacking energy: -365.115 Base-Backbone interact. energy: -4.512 local terms energy: -532.815939 where: bonds (distance) C4'-P energy: -130.749 bonds (distance) P-C4' energy: -153.867 flat angles C4'-P-C4' energy: -130.209 flat angles P-C4'-P energy: -80.315 tors. eta vs tors. theta energy: -37.675 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: 9, replica: 6 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -1061.489720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.489720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.489720 (E_RNA) where: Base-Base interactions energy: -572.263 where: short stacking energy: -328.911 Base-Backbone interact. energy: -1.521 local terms energy: -487.706038 where: bonds (distance) C4'-P energy: -134.911 bonds (distance) P-C4' energy: -133.718 flat angles C4'-P-C4' energy: -123.184 flat angles P-C4'-P energy: -58.126 tors. eta vs tors. theta energy: -37.767 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: 10, replica: 1 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -805.846347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.846347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.846347 (E_RNA) where: Base-Base interactions energy: -384.620 where: short stacking energy: -241.033 Base-Backbone interact. energy: 1.741 local terms energy: -422.967332 where: bonds (distance) C4'-P energy: -111.816 bonds (distance) P-C4' energy: -133.741 flat angles C4'-P-C4' energy: -129.086 flat angles P-C4'-P energy: -64.579 tors. eta vs tors. theta energy: 16.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -2774.305823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.305823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.305823 (E_RNA) where: Base-Base interactions energy: -1934.032 where: short stacking energy: -811.740 Base-Backbone interact. energy: -3.330 local terms energy: -836.944368 where: bonds (distance) C4'-P energy: -144.884 bonds (distance) P-C4' energy: -167.207 flat angles C4'-P-C4' energy: -174.034 flat angles P-C4'-P energy: -122.166 tors. eta vs tors. theta energy: -228.652 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: 2, replica: 10 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -2552.567314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.567314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.567314 (E_RNA) where: Base-Base interactions energy: -1749.484 where: short stacking energy: -765.075 Base-Backbone interact. energy: -3.388 local terms energy: -799.695488 where: bonds (distance) C4'-P energy: -163.318 bonds (distance) P-C4' energy: -144.193 flat angles C4'-P-C4' energy: -175.327 flat angles P-C4'-P energy: -120.945 tors. eta vs tors. theta energy: -195.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -2411.082771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.082771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.082771 (E_RNA) where: Base-Base interactions energy: -1629.632 where: short stacking energy: -742.409 Base-Backbone interact. energy: -1.535 local terms energy: -779.915535 where: bonds (distance) C4'-P energy: -153.499 bonds (distance) P-C4' energy: -146.190 flat angles C4'-P-C4' energy: -171.749 flat angles P-C4'-P energy: -114.425 tors. eta vs tors. theta energy: -194.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -2304.060573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.060573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.060573 (E_RNA) where: Base-Base interactions energy: -1540.554 where: short stacking energy: -671.351 Base-Backbone interact. energy: -3.197 local terms energy: -760.309369 where: bonds (distance) C4'-P energy: -147.165 bonds (distance) P-C4' energy: -165.421 flat angles C4'-P-C4' energy: -170.959 flat angles P-C4'-P energy: -105.818 tors. eta vs tors. theta energy: -170.947 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: 73 Temperature: 1.100000 Total energy: -2249.272807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.272807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.272807 (E_RNA) where: Base-Base interactions energy: -1511.400 where: short stacking energy: -677.921 Base-Backbone interact. energy: -1.968 local terms energy: -735.904475 where: bonds (distance) C4'-P energy: -147.423 bonds (distance) P-C4' energy: -147.016 flat angles C4'-P-C4' energy: -171.424 flat angles P-C4'-P energy: -104.526 tors. eta vs tors. theta energy: -165.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -2036.246103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.246103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.246103 (E_RNA) where: Base-Base interactions energy: -1354.751 where: short stacking energy: -600.882 Base-Backbone interact. energy: 0.957 local terms energy: -682.451524 where: bonds (distance) C4'-P energy: -145.802 bonds (distance) P-C4' energy: -124.265 flat angles C4'-P-C4' energy: -160.138 flat angles P-C4'-P energy: -103.782 tors. eta vs tors. theta energy: -148.464 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: 9 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1756.934342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.934342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.934342 (E_RNA) where: Base-Base interactions energy: -1127.573 where: short stacking energy: -517.547 Base-Backbone interact. energy: -1.205 local terms energy: -628.156167 where: bonds (distance) C4'-P energy: -106.896 bonds (distance) P-C4' energy: -152.369 flat angles C4'-P-C4' energy: -131.305 flat angles P-C4'-P energy: -108.641 tors. eta vs tors. theta energy: -128.945 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: 8, replica: 3 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -1305.882725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.882725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.882725 (E_RNA) where: Base-Base interactions energy: -776.169 where: short stacking energy: -391.369 Base-Backbone interact. energy: -0.372 local terms energy: -529.341327 where: bonds (distance) C4'-P energy: -120.993 bonds (distance) P-C4' energy: -135.018 flat angles C4'-P-C4' energy: -127.823 flat angles P-C4'-P energy: -75.729 tors. eta vs tors. theta energy: -69.778 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: 9, replica: 6 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -1040.738713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.738713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.738713 (E_RNA) where: Base-Base interactions energy: -572.828 where: short stacking energy: -325.118 Base-Backbone interact. energy: -2.165 local terms energy: -465.746077 where: bonds (distance) C4'-P energy: -125.005 bonds (distance) P-C4' energy: -114.871 flat angles C4'-P-C4' energy: -131.448 flat angles P-C4'-P energy: -76.908 tors. eta vs tors. theta energy: -17.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -887.112963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.112963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.112963 (E_RNA) where: Base-Base interactions energy: -436.000 where: short stacking energy: -233.918 Base-Backbone interact. energy: 0.469 local terms energy: -451.581843 where: bonds (distance) C4'-P energy: -121.650 bonds (distance) P-C4' energy: -132.803 flat angles C4'-P-C4' energy: -135.756 flat angles P-C4'-P energy: -57.686 tors. eta vs tors. theta energy: -3.687 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: 8 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -2748.792749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.792749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.792749 (E_RNA) where: Base-Base interactions energy: -1896.666 where: short stacking energy: -821.527 Base-Backbone interact. energy: -3.465 local terms energy: -848.661870 where: bonds (distance) C4'-P energy: -152.252 bonds (distance) P-C4' energy: -167.403 flat angles C4'-P-C4' energy: -178.960 flat angles P-C4'-P energy: -114.479 tors. eta vs tors. theta energy: -235.567 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: 2, replica: 10 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -2573.151038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.151038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.151038 (E_RNA) where: Base-Base interactions energy: -1797.753 where: short stacking energy: -764.481 Base-Backbone interact. energy: -2.777 local terms energy: -772.620601 where: bonds (distance) C4'-P energy: -155.073 bonds (distance) P-C4' energy: -153.000 flat angles C4'-P-C4' energy: -160.694 flat angles P-C4'-P energy: -104.371 tors. eta vs tors. theta energy: -199.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -2434.538582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.538582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.538582 (E_RNA) where: Base-Base interactions energy: -1655.540 where: short stacking energy: -714.700 Base-Backbone interact. energy: -0.211 local terms energy: -778.788036 where: bonds (distance) C4'-P energy: -157.287 bonds (distance) P-C4' energy: -152.020 flat angles C4'-P-C4' energy: -173.799 flat angles P-C4'-P energy: -108.649 tors. eta vs tors. theta energy: -187.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -2278.743459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.743459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.743459 (E_RNA) where: Base-Base interactions energy: -1560.791 where: short stacking energy: -677.939 Base-Backbone interact. energy: -1.653 local terms energy: -716.299360 where: bonds (distance) C4'-P energy: -128.812 bonds (distance) P-C4' energy: -151.503 flat angles C4'-P-C4' energy: -165.280 flat angles P-C4'-P energy: -93.349 tors. eta vs tors. theta energy: -177.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -2195.390808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.390808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.390808 (E_RNA) where: Base-Base interactions energy: -1470.722 where: short stacking energy: -647.893 Base-Backbone interact. energy: -2.515 local terms energy: -722.152972 where: bonds (distance) C4'-P energy: -136.287 bonds (distance) P-C4' energy: -142.884 flat angles C4'-P-C4' energy: -164.384 flat angles P-C4'-P energy: -104.376 tors. eta vs tors. theta energy: -174.222 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: 2 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1989.632775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.632775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.632775 (E_RNA) where: Base-Base interactions energy: -1324.498 where: short stacking energy: -581.292 Base-Backbone interact. energy: -1.369 local terms energy: -663.765653 where: bonds (distance) C4'-P energy: -148.346 bonds (distance) P-C4' energy: -151.537 flat angles C4'-P-C4' energy: -150.276 flat angles P-C4'-P energy: -95.090 tors. eta vs tors. theta energy: -118.517 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: 9 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1782.352634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.352634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.352634 (E_RNA) where: Base-Base interactions energy: -1175.229 where: short stacking energy: -533.010 Base-Backbone interact. energy: 1.317 local terms energy: -608.440424 where: bonds (distance) C4'-P energy: -126.674 bonds (distance) P-C4' energy: -135.443 flat angles C4'-P-C4' energy: -128.216 flat angles P-C4'-P energy: -92.608 tors. eta vs tors. theta energy: -125.499 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: 3 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -1344.012027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.012027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.012027 (E_RNA) where: Base-Base interactions energy: -818.150 where: short stacking energy: -391.034 Base-Backbone interact. energy: 4.798 local terms energy: -530.660769 where: bonds (distance) C4'-P energy: -136.737 bonds (distance) P-C4' energy: -133.111 flat angles C4'-P-C4' energy: -120.170 flat angles P-C4'-P energy: -83.752 tors. eta vs tors. theta energy: -56.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -1113.043176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.043176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.043176 (E_RNA) where: Base-Base interactions energy: -613.039 where: short stacking energy: -382.461 Base-Backbone interact. energy: -1.012 local terms energy: -498.992262 where: bonds (distance) C4'-P energy: -123.379 bonds (distance) P-C4' energy: -132.464 flat angles C4'-P-C4' energy: -132.975 flat angles P-C4'-P energy: -69.136 tors. eta vs tors. theta energy: -41.038 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: 10, replica: 1 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -848.479860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.479860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.479860 (E_RNA) where: Base-Base interactions energy: -420.977 where: short stacking energy: -272.248 Base-Backbone interact. energy: -2.288 local terms energy: -425.214466 where: bonds (distance) C4'-P energy: -92.623 bonds (distance) P-C4' energy: -136.796 flat angles C4'-P-C4' energy: -109.485 flat angles P-C4'-P energy: -70.231 tors. eta vs tors. theta energy: -16.079 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: 1, replica: 8 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -2765.363732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.363732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.363732 (E_RNA) where: Base-Base interactions energy: -1921.233 where: short stacking energy: -813.507 Base-Backbone interact. energy: -3.829 local terms energy: -840.302561 where: bonds (distance) C4'-P energy: -142.433 bonds (distance) P-C4' energy: -165.831 flat angles C4'-P-C4' energy: -178.143 flat angles P-C4'-P energy: -125.995 tors. eta vs tors. theta energy: -227.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -2612.081306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.081306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.081306 (E_RNA) where: Base-Base interactions energy: -1801.269 where: short stacking energy: -767.866 Base-Backbone interact. energy: -2.239 local terms energy: -808.573595 where: bonds (distance) C4'-P energy: -146.347 bonds (distance) P-C4' energy: -155.886 flat angles C4'-P-C4' energy: -185.683 flat angles P-C4'-P energy: -113.618 tors. eta vs tors. theta energy: -207.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -2408.344200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.344200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.344200 (E_RNA) where: Base-Base interactions energy: -1655.310 where: short stacking energy: -719.215 Base-Backbone interact. energy: 1.760 local terms energy: -754.794078 where: bonds (distance) C4'-P energy: -129.729 bonds (distance) P-C4' energy: -158.410 flat angles C4'-P-C4' energy: -169.335 flat angles P-C4'-P energy: -104.408 tors. eta vs tors. theta energy: -192.912 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: 4 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -2354.611092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.611092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.611092 (E_RNA) where: Base-Base interactions energy: -1620.644 where: short stacking energy: -705.595 Base-Backbone interact. energy: 2.547 local terms energy: -736.514452 where: bonds (distance) C4'-P energy: -137.811 bonds (distance) P-C4' energy: -139.892 flat angles C4'-P-C4' energy: -165.509 flat angles P-C4'-P energy: -106.220 tors. eta vs tors. theta energy: -187.083 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: 5 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -2183.613495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.613495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.613495 (E_RNA) where: Base-Base interactions energy: -1480.308 where: short stacking energy: -631.098 Base-Backbone interact. energy: -1.263 local terms energy: -702.042179 where: bonds (distance) C4'-P energy: -148.625 bonds (distance) P-C4' energy: -143.252 flat angles C4'-P-C4' energy: -165.908 flat angles P-C4'-P energy: -90.262 tors. eta vs tors. theta energy: -153.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -2018.820797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.820797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.820797 (E_RNA) where: Base-Base interactions energy: -1369.849 where: short stacking energy: -622.365 Base-Backbone interact. energy: -1.137 local terms energy: -647.834826 where: bonds (distance) C4'-P energy: -141.059 bonds (distance) P-C4' energy: -129.713 flat angles C4'-P-C4' energy: -153.871 flat angles P-C4'-P energy: -86.833 tors. eta vs tors. theta energy: -136.359 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: 7, replica: 9 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1805.754148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.754148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.754148 (E_RNA) where: Base-Base interactions energy: -1178.797 where: short stacking energy: -544.973 Base-Backbone interact. energy: -3.102 local terms energy: -623.855205 where: bonds (distance) C4'-P energy: -140.459 bonds (distance) P-C4' energy: -124.195 flat angles C4'-P-C4' energy: -154.562 flat angles P-C4'-P energy: -78.284 tors. eta vs tors. theta energy: -126.355 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: 3 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -1318.854620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.854620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.854620 (E_RNA) where: Base-Base interactions energy: -831.042 where: short stacking energy: -388.215 Base-Backbone interact. energy: -4.093 local terms energy: -483.720440 where: bonds (distance) C4'-P energy: -143.125 bonds (distance) P-C4' energy: -121.078 flat angles C4'-P-C4' energy: -120.081 flat angles P-C4'-P energy: -63.959 tors. eta vs tors. theta energy: -35.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -1030.413551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.413551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.413551 (E_RNA) where: Base-Base interactions energy: -560.211 where: short stacking energy: -296.356 Base-Backbone interact. energy: 0.306 local terms energy: -470.508518 where: bonds (distance) C4'-P energy: -121.534 bonds (distance) P-C4' energy: -141.865 flat angles C4'-P-C4' energy: -112.890 flat angles P-C4'-P energy: -83.869 tors. eta vs tors. theta energy: -10.351 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: 1 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -819.437486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.437486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.437486 (E_RNA) where: Base-Base interactions energy: -395.556 where: short stacking energy: -261.556 Base-Backbone interact. energy: 0.928 local terms energy: -424.808659 where: bonds (distance) C4'-P energy: -122.297 bonds (distance) P-C4' energy: -126.073 flat angles C4'-P-C4' energy: -132.759 flat angles P-C4'-P energy: -57.590 tors. eta vs tors. theta energy: 13.910 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: 1, replica: 8 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -2758.549271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.549271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.549271 (E_RNA) where: Base-Base interactions energy: -1920.635 where: short stacking energy: -817.767 Base-Backbone interact. energy: -1.225 local terms energy: -836.690000 where: bonds (distance) C4'-P energy: -154.934 bonds (distance) P-C4' energy: -166.820 flat angles C4'-P-C4' energy: -176.279 flat angles P-C4'-P energy: -114.610 tors. eta vs tors. theta energy: -224.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -2623.582143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.582143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.582143 (E_RNA) where: Base-Base interactions energy: -1811.811 where: short stacking energy: -782.947 Base-Backbone interact. energy: -3.296 local terms energy: -808.474921 where: bonds (distance) C4'-P energy: -145.539 bonds (distance) P-C4' energy: -148.455 flat angles C4'-P-C4' energy: -191.745 flat angles P-C4'-P energy: -118.675 tors. eta vs tors. theta energy: -204.061 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: 7 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -2435.173557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.173557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.173557 (E_RNA) where: Base-Base interactions energy: -1659.382 where: short stacking energy: -733.400 Base-Backbone interact. energy: -3.581 local terms energy: -772.210717 where: bonds (distance) C4'-P energy: -158.620 bonds (distance) P-C4' energy: -152.904 flat angles C4'-P-C4' energy: -167.960 flat angles P-C4'-P energy: -101.346 tors. eta vs tors. theta energy: -191.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -2337.650634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.650634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.650634 (E_RNA) where: Base-Base interactions energy: -1588.082 where: short stacking energy: -714.225 Base-Backbone interact. energy: 2.067 local terms energy: -751.635656 where: bonds (distance) C4'-P energy: -137.440 bonds (distance) P-C4' energy: -136.852 flat angles C4'-P-C4' energy: -170.546 flat angles P-C4'-P energy: -115.417 tors. eta vs tors. theta energy: -191.379 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: 5, replica: 5 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -2165.309065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.309065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.309065 (E_RNA) where: Base-Base interactions energy: -1431.042 where: short stacking energy: -631.402 Base-Backbone interact. energy: -1.276 local terms energy: -732.991035 where: bonds (distance) C4'-P energy: -137.093 bonds (distance) P-C4' energy: -143.537 flat angles C4'-P-C4' energy: -175.356 flat angles P-C4'-P energy: -103.505 tors. eta vs tors. theta energy: -173.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1973.590989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.590989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.590989 (E_RNA) where: Base-Base interactions energy: -1295.090 where: short stacking energy: -532.499 Base-Backbone interact. energy: -5.190 local terms energy: -673.311329 where: bonds (distance) C4'-P energy: -152.074 bonds (distance) P-C4' energy: -141.153 flat angles C4'-P-C4' energy: -150.646 flat angles P-C4'-P energy: -103.740 tors. eta vs tors. theta energy: -125.698 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: 7, replica: 9 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1837.967195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.967195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.967195 (E_RNA) where: Base-Base interactions energy: -1181.161 where: short stacking energy: -523.462 Base-Backbone interact. energy: -3.281 local terms energy: -653.525764 where: bonds (distance) C4'-P energy: -142.178 bonds (distance) P-C4' energy: -143.527 flat angles C4'-P-C4' energy: -159.371 flat angles P-C4'-P energy: -93.019 tors. eta vs tors. theta energy: -115.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1379.214527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.214527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.214527 (E_RNA) where: Base-Base interactions energy: -854.218 where: short stacking energy: -403.646 Base-Backbone interact. energy: -1.023 local terms energy: -523.974115 where: bonds (distance) C4'-P energy: -100.468 bonds (distance) P-C4' energy: -134.457 flat angles C4'-P-C4' energy: -133.516 flat angles P-C4'-P energy: -91.212 tors. eta vs tors. theta energy: -64.321 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: 9, replica: 6 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -1005.724934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.724934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.724934 (E_RNA) where: Base-Base interactions energy: -496.571 where: short stacking energy: -278.841 Base-Backbone interact. energy: -1.164 local terms energy: -507.989960 where: bonds (distance) C4'-P energy: -118.071 bonds (distance) P-C4' energy: -148.695 flat angles C4'-P-C4' energy: -150.635 flat angles P-C4'-P energy: -67.836 tors. eta vs tors. theta energy: -22.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -724.783282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.783282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.783282 (E_RNA) where: Base-Base interactions energy: -308.437 where: short stacking energy: -210.840 Base-Backbone interact. energy: 2.842 local terms energy: -419.187739 where: bonds (distance) C4'-P energy: -111.404 bonds (distance) P-C4' energy: -148.113 flat angles C4'-P-C4' energy: -100.804 flat angles P-C4'-P energy: -77.536 tors. eta vs tors. theta energy: 18.669 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: 77 Temperature: 0.900000 Total energy: -2774.939784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.939784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.939784 (E_RNA) where: Base-Base interactions energy: -1921.242 where: short stacking energy: -822.780 Base-Backbone interact. energy: -3.343 local terms energy: -850.355009 where: bonds (distance) C4'-P energy: -163.067 bonds (distance) P-C4' energy: -152.592 flat angles C4'-P-C4' energy: -180.905 flat angles P-C4'-P energy: -119.806 tors. eta vs tors. theta energy: -233.985 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: 2, replica: 10 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -2620.196660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.196660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.196660 (E_RNA) where: Base-Base interactions energy: -1809.788 where: short stacking energy: -801.541 Base-Backbone interact. energy: -4.454 local terms energy: -805.954635 where: bonds (distance) C4'-P energy: -139.852 bonds (distance) P-C4' energy: -157.211 flat angles C4'-P-C4' energy: -180.516 flat angles P-C4'-P energy: -113.925 tors. eta vs tors. theta energy: -214.451 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: 7 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -2407.259298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.259298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.259298 (E_RNA) where: Base-Base interactions energy: -1612.388 where: short stacking energy: -706.570 Base-Backbone interact. energy: -2.563 local terms energy: -792.308721 where: bonds (distance) C4'-P energy: -142.058 bonds (distance) P-C4' energy: -163.017 flat angles C4'-P-C4' energy: -178.775 flat angles P-C4'-P energy: -113.075 tors. eta vs tors. theta energy: -195.384 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: 4 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -2348.470968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.470968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.470968 (E_RNA) where: Base-Base interactions energy: -1603.844 where: short stacking energy: -730.741 Base-Backbone interact. energy: -3.134 local terms energy: -741.493368 where: bonds (distance) C4'-P energy: -135.088 bonds (distance) P-C4' energy: -137.012 flat angles C4'-P-C4' energy: -172.727 flat angles P-C4'-P energy: -114.041 tors. eta vs tors. theta energy: -182.625 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: 5, replica: 5 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -2214.526294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.526294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.526294 (E_RNA) where: Base-Base interactions energy: -1506.669 where: short stacking energy: -677.807 Base-Backbone interact. energy: -1.220 local terms energy: -706.636536 where: bonds (distance) C4'-P energy: -149.903 bonds (distance) P-C4' energy: -154.990 flat angles C4'-P-C4' energy: -146.461 flat angles P-C4'-P energy: -89.550 tors. eta vs tors. theta energy: -165.732 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: 2 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1967.334746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.334746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.334746 (E_RNA) where: Base-Base interactions energy: -1308.454 where: short stacking energy: -573.140 Base-Backbone interact. energy: -3.951 local terms energy: -654.930354 where: bonds (distance) C4'-P energy: -128.998 bonds (distance) P-C4' energy: -153.863 flat angles C4'-P-C4' energy: -149.288 flat angles P-C4'-P energy: -99.493 tors. eta vs tors. theta energy: -123.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1845.056021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.056021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.056021 (E_RNA) where: Base-Base interactions energy: -1233.212 where: short stacking energy: -518.927 Base-Backbone interact. energy: -3.569 local terms energy: -608.274551 where: bonds (distance) C4'-P energy: -130.203 bonds (distance) P-C4' energy: -138.814 flat angles C4'-P-C4' energy: -115.826 flat angles P-C4'-P energy: -96.656 tors. eta vs tors. theta energy: -126.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1441.910982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.910982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.910982 (E_RNA) where: Base-Base interactions energy: -884.741 where: short stacking energy: -415.958 Base-Backbone interact. energy: 1.025 local terms energy: -558.195004 where: bonds (distance) C4'-P energy: -136.881 bonds (distance) P-C4' energy: -135.453 flat angles C4'-P-C4' energy: -130.889 flat angles P-C4'-P energy: -84.500 tors. eta vs tors. theta energy: -70.472 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: 9, replica: 6 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -1024.582757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.582757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.582757 (E_RNA) where: Base-Base interactions energy: -585.888 where: short stacking energy: -306.144 Base-Backbone interact. energy: 1.346 local terms energy: -440.041165 where: bonds (distance) C4'-P energy: -117.493 bonds (distance) P-C4' energy: -132.542 flat angles C4'-P-C4' energy: -97.010 flat angles P-C4'-P energy: -78.303 tors. eta vs tors. theta energy: -14.692 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: 10, replica: 1 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -731.329667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.329667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.329667 (E_RNA) where: Base-Base interactions energy: -335.146 where: short stacking energy: -236.763 Base-Backbone interact. energy: 0.084 local terms energy: -396.268636 where: bonds (distance) C4'-P energy: -109.675 bonds (distance) P-C4' energy: -134.904 flat angles C4'-P-C4' energy: -107.850 flat angles P-C4'-P energy: -71.129 tors. eta vs tors. theta energy: 27.288 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: 1, replica: 8 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -2727.175502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.175502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.175502 (E_RNA) where: Base-Base interactions energy: -1876.016 where: short stacking energy: -787.430 Base-Backbone interact. energy: -2.363 local terms energy: -848.796226 where: bonds (distance) C4'-P energy: -155.051 bonds (distance) P-C4' energy: -163.934 flat angles C4'-P-C4' energy: -182.787 flat angles P-C4'-P energy: -111.575 tors. eta vs tors. theta energy: -235.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -2591.789541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.789541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.789541 (E_RNA) where: Base-Base interactions energy: -1768.772 where: short stacking energy: -770.515 Base-Backbone interact. energy: -2.277 local terms energy: -820.740689 where: bonds (distance) C4'-P energy: -159.202 bonds (distance) P-C4' energy: -164.071 flat angles C4'-P-C4' energy: -176.589 flat angles P-C4'-P energy: -103.896 tors. eta vs tors. theta energy: -216.983 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: 3, replica: 7 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -2446.162819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.162819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.162819 (E_RNA) where: Base-Base interactions energy: -1675.182 where: short stacking energy: -746.572 Base-Backbone interact. energy: -6.235 local terms energy: -764.745831 where: bonds (distance) C4'-P energy: -149.533 bonds (distance) P-C4' energy: -141.555 flat angles C4'-P-C4' energy: -173.133 flat angles P-C4'-P energy: -105.905 tors. eta vs tors. theta energy: -194.619 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: 4, replica: 4 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -2352.296348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.296348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.296348 (E_RNA) where: Base-Base interactions energy: -1570.105 where: short stacking energy: -698.862 Base-Backbone interact. energy: -1.662 local terms energy: -780.528977 where: bonds (distance) C4'-P energy: -140.283 bonds (distance) P-C4' energy: -171.450 flat angles C4'-P-C4' energy: -180.722 flat angles P-C4'-P energy: -99.751 tors. eta vs tors. theta energy: -188.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -2218.955064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.955064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.955064 (E_RNA) where: Base-Base interactions energy: -1496.996 where: short stacking energy: -656.618 Base-Backbone interact. energy: -1.141 local terms energy: -720.817966 where: bonds (distance) C4'-P energy: -142.684 bonds (distance) P-C4' energy: -159.289 flat angles C4'-P-C4' energy: -165.463 flat angles P-C4'-P energy: -77.578 tors. eta vs tors. theta energy: -175.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1980.656618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.656618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.656618 (E_RNA) where: Base-Base interactions energy: -1340.923 where: short stacking energy: -602.432 Base-Backbone interact. energy: -0.512 local terms energy: -639.221156 where: bonds (distance) C4'-P energy: -138.391 bonds (distance) P-C4' energy: -136.652 flat angles C4'-P-C4' energy: -151.988 flat angles P-C4'-P energy: -83.625 tors. eta vs tors. theta energy: -128.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1840.678827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.678827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.678827 (E_RNA) where: Base-Base interactions energy: -1243.602 where: short stacking energy: -542.753 Base-Backbone interact. energy: -1.203 local terms energy: -595.874009 where: bonds (distance) C4'-P energy: -117.039 bonds (distance) P-C4' energy: -141.205 flat angles C4'-P-C4' energy: -144.813 flat angles P-C4'-P energy: -84.229 tors. eta vs tors. theta energy: -108.589 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: 8, replica: 3 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1331.753961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.753961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.753961 (E_RNA) where: Base-Base interactions energy: -826.260 where: short stacking energy: -425.545 Base-Backbone interact. energy: -3.184 local terms energy: -502.309703 where: bonds (distance) C4'-P energy: -111.027 bonds (distance) P-C4' energy: -119.918 flat angles C4'-P-C4' energy: -122.167 flat angles P-C4'-P energy: -73.578 tors. eta vs tors. theta energy: -75.620 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: 6 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -1057.114971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.114971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.114971 (E_RNA) where: Base-Base interactions energy: -562.533 where: short stacking energy: -299.508 Base-Backbone interact. energy: -1.685 local terms energy: -492.897900 where: bonds (distance) C4'-P energy: -134.238 bonds (distance) P-C4' energy: -146.906 flat angles C4'-P-C4' energy: -123.272 flat angles P-C4'-P energy: -75.883 tors. eta vs tors. theta energy: -12.598 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: 10, replica: 1 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -753.247348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.247348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.247348 (E_RNA) where: Base-Base interactions energy: -339.110 where: short stacking energy: -245.659 Base-Backbone interact. energy: -0.299 local terms energy: -413.838525 where: bonds (distance) C4'-P energy: -120.967 bonds (distance) P-C4' energy: -118.920 flat angles C4'-P-C4' energy: -117.579 flat angles P-C4'-P energy: -76.432 tors. eta vs tors. theta energy: 20.059 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: 8 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -2735.834390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.834390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.834390 (E_RNA) where: Base-Base interactions energy: -1914.462 where: short stacking energy: -825.627 Base-Backbone interact. energy: -5.097 local terms energy: -816.275545 where: bonds (distance) C4'-P energy: -143.786 bonds (distance) P-C4' energy: -158.830 flat angles C4'-P-C4' energy: -173.850 flat angles P-C4'-P energy: -107.661 tors. eta vs tors. theta energy: -232.148 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: 10 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -2606.973834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.973834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.973834 (E_RNA) where: Base-Base interactions energy: -1803.993 where: short stacking energy: -786.522 Base-Backbone interact. energy: 2.842 local terms energy: -805.822756 where: bonds (distance) C4'-P energy: -150.194 bonds (distance) P-C4' energy: -140.260 flat angles C4'-P-C4' energy: -179.105 flat angles P-C4'-P energy: -120.989 tors. eta vs tors. theta energy: -215.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -2462.325302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.325302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.325302 (E_RNA) where: Base-Base interactions energy: -1679.528 where: short stacking energy: -734.559 Base-Backbone interact. energy: 4.593 local terms energy: -787.390558 where: bonds (distance) C4'-P energy: -162.309 bonds (distance) P-C4' energy: -140.284 flat angles C4'-P-C4' energy: -182.723 flat angles P-C4'-P energy: -104.411 tors. eta vs tors. theta energy: -197.664 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: 4, replica: 4 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -2311.208261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.208261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.208261 (E_RNA) where: Base-Base interactions energy: -1551.901 where: short stacking energy: -704.843 Base-Backbone interact. energy: 0.425 local terms energy: -759.732426 where: bonds (distance) C4'-P energy: -137.395 bonds (distance) P-C4' energy: -163.477 flat angles C4'-P-C4' energy: -170.996 flat angles P-C4'-P energy: -103.793 tors. eta vs tors. theta energy: -184.071 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: 5 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -2129.086907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.086907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.086907 (E_RNA) where: Base-Base interactions energy: -1424.564 where: short stacking energy: -614.758 Base-Backbone interact. energy: 0.436 local terms energy: -704.958610 where: bonds (distance) C4'-P energy: -149.198 bonds (distance) P-C4' energy: -142.696 flat angles C4'-P-C4' energy: -149.691 flat angles P-C4'-P energy: -104.276 tors. eta vs tors. theta energy: -159.097 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: 2 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1997.532359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.532359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.532359 (E_RNA) where: Base-Base interactions energy: -1351.341 where: short stacking energy: -581.211 Base-Backbone interact. energy: -4.102 local terms energy: -642.089945 where: bonds (distance) C4'-P energy: -125.529 bonds (distance) P-C4' energy: -133.893 flat angles C4'-P-C4' energy: -149.210 flat angles P-C4'-P energy: -87.535 tors. eta vs tors. theta energy: -145.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1860.564746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.564746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.564746 (E_RNA) where: Base-Base interactions energy: -1195.830 where: short stacking energy: -528.203 Base-Backbone interact. energy: 1.799 local terms energy: -666.534198 where: bonds (distance) C4'-P energy: -154.223 bonds (distance) P-C4' energy: -152.799 flat angles C4'-P-C4' energy: -146.499 flat angles P-C4'-P energy: -89.383 tors. eta vs tors. theta energy: -123.632 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: 8, replica: 3 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1395.924356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.924356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.924356 (E_RNA) where: Base-Base interactions energy: -833.588 where: short stacking energy: -428.285 Base-Backbone interact. energy: -3.105 local terms energy: -559.231428 where: bonds (distance) C4'-P energy: -129.216 bonds (distance) P-C4' energy: -140.517 flat angles C4'-P-C4' energy: -141.074 flat angles P-C4'-P energy: -73.416 tors. eta vs tors. theta energy: -75.009 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: 9, replica: 6 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -1188.950740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.950740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.950740 (E_RNA) where: Base-Base interactions energy: -704.310 where: short stacking energy: -378.949 Base-Backbone interact. energy: -0.379 local terms energy: -484.261817 where: bonds (distance) C4'-P energy: -114.946 bonds (distance) P-C4' energy: -148.535 flat angles C4'-P-C4' energy: -111.205 flat angles P-C4'-P energy: -62.741 tors. eta vs tors. theta energy: -46.835 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: 1 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -805.110021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.110021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.110021 (E_RNA) where: Base-Base interactions energy: -384.902 where: short stacking energy: -278.931 Base-Backbone interact. energy: 6.432 local terms energy: -426.640210 where: bonds (distance) C4'-P energy: -102.489 bonds (distance) P-C4' energy: -134.033 flat angles C4'-P-C4' energy: -111.820 flat angles P-C4'-P energy: -70.769 tors. eta vs tors. theta energy: -7.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -2751.591294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.591294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.591294 (E_RNA) where: Base-Base interactions energy: -1924.301 where: short stacking energy: -797.159 Base-Backbone interact. energy: -2.592 local terms energy: -824.698181 where: bonds (distance) C4'-P energy: -165.620 bonds (distance) P-C4' energy: -157.504 flat angles C4'-P-C4' energy: -164.877 flat angles P-C4'-P energy: -106.423 tors. eta vs tors. theta energy: -230.275 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: 2, replica: 10 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -2558.058252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.058252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.058252 (E_RNA) where: Base-Base interactions energy: -1736.417 where: short stacking energy: -752.234 Base-Backbone interact. energy: -3.593 local terms energy: -818.048922 where: bonds (distance) C4'-P energy: -166.179 bonds (distance) P-C4' energy: -167.214 flat angles C4'-P-C4' energy: -174.158 flat angles P-C4'-P energy: -114.830 tors. eta vs tors. theta energy: -195.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -2410.752933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.752933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.752933 (E_RNA) where: Base-Base interactions energy: -1642.030 where: short stacking energy: -755.337 Base-Backbone interact. energy: -7.200 local terms energy: -761.522903 where: bonds (distance) C4'-P energy: -137.366 bonds (distance) P-C4' energy: -150.488 flat angles C4'-P-C4' energy: -173.016 flat angles P-C4'-P energy: -109.533 tors. eta vs tors. theta energy: -191.120 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: 4, replica: 4 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -2338.843067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.843067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.843067 (E_RNA) where: Base-Base interactions energy: -1570.752 where: short stacking energy: -702.333 Base-Backbone interact. energy: -2.001 local terms energy: -766.090422 where: bonds (distance) C4'-P energy: -153.248 bonds (distance) P-C4' energy: -150.818 flat angles C4'-P-C4' energy: -160.021 flat angles P-C4'-P energy: -120.454 tors. eta vs tors. theta energy: -181.550 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: 5, replica: 5 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -2128.530649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.530649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.530649 (E_RNA) where: Base-Base interactions energy: -1441.652 where: short stacking energy: -661.288 Base-Backbone interact. energy: -3.010 local terms energy: -683.869032 where: bonds (distance) C4'-P energy: -134.304 bonds (distance) P-C4' energy: -133.367 flat angles C4'-P-C4' energy: -160.264 flat angles P-C4'-P energy: -93.862 tors. eta vs tors. theta energy: -162.072 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: 6, replica: 2 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1938.948736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.948736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.948736 (E_RNA) where: Base-Base interactions energy: -1294.238 where: short stacking energy: -603.169 Base-Backbone interact. energy: -1.946 local terms energy: -642.765465 where: bonds (distance) C4'-P energy: -142.333 bonds (distance) P-C4' energy: -126.615 flat angles C4'-P-C4' energy: -144.386 flat angles P-C4'-P energy: -78.626 tors. eta vs tors. theta energy: -150.805 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: 7, replica: 9 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1849.570156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.570156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.570156 (E_RNA) where: Base-Base interactions energy: -1229.379 where: short stacking energy: -518.733 Base-Backbone interact. energy: -0.510 local terms energy: -619.681510 where: bonds (distance) C4'-P energy: -133.556 bonds (distance) P-C4' energy: -143.759 flat angles C4'-P-C4' energy: -147.107 flat angles P-C4'-P energy: -77.889 tors. eta vs tors. theta energy: -117.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1365.233896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.233896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.233896 (E_RNA) where: Base-Base interactions energy: -840.964 where: short stacking energy: -431.103 Base-Backbone interact. energy: -0.898 local terms energy: -523.371593 where: bonds (distance) C4'-P energy: -140.165 bonds (distance) P-C4' energy: -122.250 flat angles C4'-P-C4' energy: -137.358 flat angles P-C4'-P energy: -57.365 tors. eta vs tors. theta energy: -66.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -1195.017485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.017485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.017485 (E_RNA) where: Base-Base interactions energy: -708.816 where: short stacking energy: -368.984 Base-Backbone interact. energy: 2.744 local terms energy: -488.945442 where: bonds (distance) C4'-P energy: -100.657 bonds (distance) P-C4' energy: -148.241 flat angles C4'-P-C4' energy: -133.275 flat angles P-C4'-P energy: -63.126 tors. eta vs tors. theta energy: -43.646 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: 10, replica: 1 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -721.816034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.816034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.816034 (E_RNA) where: Base-Base interactions energy: -294.205 where: short stacking energy: -187.320 Base-Backbone interact. energy: 4.818 local terms energy: -432.428818 where: bonds (distance) C4'-P energy: -118.692 bonds (distance) P-C4' energy: -142.100 flat angles C4'-P-C4' energy: -103.696 flat angles P-C4'-P energy: -66.227 tors. eta vs tors. theta energy: -1.714 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: 1, replica: 8 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -2794.233953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.233953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.233953 (E_RNA) where: Base-Base interactions energy: -1944.459 where: short stacking energy: -831.536 Base-Backbone interact. energy: -2.854 local terms energy: -846.921230 where: bonds (distance) C4'-P energy: -155.564 bonds (distance) P-C4' energy: -163.458 flat angles C4'-P-C4' energy: -167.546 flat angles P-C4'-P energy: -120.917 tors. eta vs tors. theta energy: -239.436 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: 10 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -2585.819663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.819663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.819663 (E_RNA) where: Base-Base interactions energy: -1770.301 where: short stacking energy: -775.466 Base-Backbone interact. energy: -2.933 local terms energy: -812.585421 where: bonds (distance) C4'-P energy: -162.117 bonds (distance) P-C4' energy: -165.509 flat angles C4'-P-C4' energy: -175.070 flat angles P-C4'-P energy: -110.686 tors. eta vs tors. theta energy: -199.204 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: 7 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -2399.823384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.823384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.823384 (E_RNA) where: Base-Base interactions energy: -1626.283 where: short stacking energy: -728.143 Base-Backbone interact. energy: -7.071 local terms energy: -766.469254 where: bonds (distance) C4'-P energy: -163.454 bonds (distance) P-C4' energy: -139.216 flat angles C4'-P-C4' energy: -166.270 flat angles P-C4'-P energy: -106.161 tors. eta vs tors. theta energy: -191.368 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: 4, replica: 4 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -2339.867122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.867122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.867122 (E_RNA) where: Base-Base interactions energy: -1572.760 where: short stacking energy: -702.391 Base-Backbone interact. energy: -4.640 local terms energy: -762.467273 where: bonds (distance) C4'-P energy: -156.457 bonds (distance) P-C4' energy: -165.130 flat angles C4'-P-C4' energy: -156.086 flat angles P-C4'-P energy: -101.009 tors. eta vs tors. theta energy: -183.786 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: 5 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -2097.651384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.651384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.651384 (E_RNA) where: Base-Base interactions energy: -1415.955 where: short stacking energy: -625.459 Base-Backbone interact. energy: -4.475 local terms energy: -677.221597 where: bonds (distance) C4'-P energy: -128.552 bonds (distance) P-C4' energy: -145.502 flat angles C4'-P-C4' energy: -144.068 flat angles P-C4'-P energy: -97.549 tors. eta vs tors. theta energy: -161.550 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: 6, replica: 9 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -2003.525083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.525083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.525083 (E_RNA) where: Base-Base interactions energy: -1355.715 where: short stacking energy: -640.072 Base-Backbone interact. energy: 5.403 local terms energy: -653.212647 where: bonds (distance) C4'-P energy: -131.268 bonds (distance) P-C4' energy: -150.955 flat angles C4'-P-C4' energy: -159.052 flat angles P-C4'-P energy: -84.610 tors. eta vs tors. theta energy: -127.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1899.719332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.719332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.719332 (E_RNA) where: Base-Base interactions energy: -1270.400 where: short stacking energy: -530.782 Base-Backbone interact. energy: -6.634 local terms energy: -622.684923 where: bonds (distance) C4'-P energy: -113.288 bonds (distance) P-C4' energy: -153.606 flat angles C4'-P-C4' energy: -154.499 flat angles P-C4'-P energy: -85.350 tors. eta vs tors. theta energy: -115.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1335.623747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.623747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.623747 (E_RNA) where: Base-Base interactions energy: -836.140 where: short stacking energy: -402.529 Base-Backbone interact. energy: -1.129 local terms energy: -498.354047 where: bonds (distance) C4'-P energy: -122.121 bonds (distance) P-C4' energy: -145.218 flat angles C4'-P-C4' energy: -129.060 flat angles P-C4'-P energy: -69.031 tors. eta vs tors. theta energy: -32.923 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: 9, replica: 6 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -1178.319794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.319794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.319794 (E_RNA) where: Base-Base interactions energy: -688.287 where: short stacking energy: -324.683 Base-Backbone interact. energy: -0.791 local terms energy: -489.241364 where: bonds (distance) C4'-P energy: -135.027 bonds (distance) P-C4' energy: -138.641 flat angles C4'-P-C4' energy: -114.833 flat angles P-C4'-P energy: -72.962 tors. eta vs tors. theta energy: -27.778 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: 1 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -741.070834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.070834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.070834 (E_RNA) where: Base-Base interactions energy: -335.509 where: short stacking energy: -194.388 Base-Backbone interact. energy: -2.047 local terms energy: -403.514273 where: bonds (distance) C4'-P energy: -119.398 bonds (distance) P-C4' energy: -137.229 flat angles C4'-P-C4' energy: -115.377 flat angles P-C4'-P energy: -60.477 tors. eta vs tors. theta energy: 28.968 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: 8 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -2802.251135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.251135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.251135 (E_RNA) where: Base-Base interactions energy: -1931.396 where: short stacking energy: -845.861 Base-Backbone interact. energy: -4.353 local terms energy: -866.501523 where: bonds (distance) C4'-P energy: -153.455 bonds (distance) P-C4' energy: -156.497 flat angles C4'-P-C4' energy: -184.072 flat angles P-C4'-P energy: -123.393 tors. eta vs tors. theta energy: -249.085 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: 2, replica: 10 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -2578.311523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.311523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.311523 (E_RNA) where: Base-Base interactions energy: -1775.378 where: short stacking energy: -794.011 Base-Backbone interact. energy: 1.316 local terms energy: -804.250117 where: bonds (distance) C4'-P energy: -133.514 bonds (distance) P-C4' energy: -157.705 flat angles C4'-P-C4' energy: -177.873 flat angles P-C4'-P energy: -121.404 tors. eta vs tors. theta energy: -213.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -2378.476971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.476971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.476971 (E_RNA) where: Base-Base interactions energy: -1609.918 where: short stacking energy: -745.386 Base-Backbone interact. energy: -3.427 local terms energy: -765.132586 where: bonds (distance) C4'-P energy: -151.101 bonds (distance) P-C4' energy: -154.234 flat angles C4'-P-C4' energy: -161.913 flat angles P-C4'-P energy: -123.552 tors. eta vs tors. theta energy: -174.332 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: 4 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -2329.157749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.157749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.157749 (E_RNA) where: Base-Base interactions energy: -1566.683 where: short stacking energy: -698.879 Base-Backbone interact. energy: -4.028 local terms energy: -758.446417 where: bonds (distance) C4'-P energy: -143.169 bonds (distance) P-C4' energy: -150.580 flat angles C4'-P-C4' energy: -159.061 flat angles P-C4'-P energy: -118.077 tors. eta vs tors. theta energy: -187.559 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: 5 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -2083.619058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.619058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.619058 (E_RNA) where: Base-Base interactions energy: -1402.344 where: short stacking energy: -628.847 Base-Backbone interact. energy: 2.905 local terms energy: -684.180056 where: bonds (distance) C4'-P energy: -145.067 bonds (distance) P-C4' energy: -134.923 flat angles C4'-P-C4' energy: -153.096 flat angles P-C4'-P energy: -106.259 tors. eta vs tors. theta energy: -144.835 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: 9 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -2015.854291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.854291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.854291 (E_RNA) where: Base-Base interactions energy: -1361.096 where: short stacking energy: -582.317 Base-Backbone interact. energy: 1.519 local terms energy: -656.276917 where: bonds (distance) C4'-P energy: -136.938 bonds (distance) P-C4' energy: -133.506 flat angles C4'-P-C4' energy: -150.215 flat angles P-C4'-P energy: -92.254 tors. eta vs tors. theta energy: -143.363 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: 7, replica: 2 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1864.495474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.495474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.495474 (E_RNA) where: Base-Base interactions energy: -1246.246 where: short stacking energy: -538.621 Base-Backbone interact. energy: -3.628 local terms energy: -614.622078 where: bonds (distance) C4'-P energy: -125.383 bonds (distance) P-C4' energy: -136.125 flat angles C4'-P-C4' energy: -136.468 flat angles P-C4'-P energy: -101.785 tors. eta vs tors. theta energy: -114.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1333.395668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.395668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.395668 (E_RNA) where: Base-Base interactions energy: -788.923 where: short stacking energy: -380.911 Base-Backbone interact. energy: -2.972 local terms energy: -541.500494 where: bonds (distance) C4'-P energy: -121.937 bonds (distance) P-C4' energy: -154.376 flat angles C4'-P-C4' energy: -127.083 flat angles P-C4'-P energy: -78.043 tors. eta vs tors. theta energy: -60.062 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: 6 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -1111.246054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.246054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.246054 (E_RNA) where: Base-Base interactions energy: -631.754 where: short stacking energy: -323.121 Base-Backbone interact. energy: -1.022 local terms energy: -478.469517 where: bonds (distance) C4'-P energy: -112.113 bonds (distance) P-C4' energy: -130.327 flat angles C4'-P-C4' energy: -130.324 flat angles P-C4'-P energy: -81.398 tors. eta vs tors. theta energy: -24.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -767.819158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.819158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.819158 (E_RNA) where: Base-Base interactions energy: -364.636 where: short stacking energy: -247.453 Base-Backbone interact. energy: -3.023 local terms energy: -400.159375 where: bonds (distance) C4'-P energy: -109.577 bonds (distance) P-C4' energy: -142.808 flat angles C4'-P-C4' energy: -116.708 flat angles P-C4'-P energy: -39.689 tors. eta vs tors. theta energy: 8.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2836.757565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.757565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.757565 (E_RNA) where: Base-Base interactions energy: -1930.347 where: short stacking energy: -837.786 Base-Backbone interact. energy: -4.162 local terms energy: -902.248640 where: bonds (distance) C4'-P energy: -175.262 bonds (distance) P-C4' energy: -174.227 flat angles C4'-P-C4' energy: -182.971 flat angles P-C4'-P energy: -127.882 tors. eta vs tors. theta energy: -241.907 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: 10 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -2599.367695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.367695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.367695 (E_RNA) where: Base-Base interactions energy: -1808.799 where: short stacking energy: -752.512 Base-Backbone interact. energy: -5.748 local terms energy: -784.820677 where: bonds (distance) C4'-P energy: -153.344 bonds (distance) P-C4' energy: -147.059 flat angles C4'-P-C4' energy: -187.172 flat angles P-C4'-P energy: -102.734 tors. eta vs tors. theta energy: -194.511 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: 3, replica: 7 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -2418.746120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.746120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.746120 (E_RNA) where: Base-Base interactions energy: -1619.976 where: short stacking energy: -763.745 Base-Backbone interact. energy: -5.449 local terms energy: -793.321035 where: bonds (distance) C4'-P energy: -143.150 bonds (distance) P-C4' energy: -154.009 flat angles C4'-P-C4' energy: -184.623 flat angles P-C4'-P energy: -110.913 tors. eta vs tors. theta energy: -200.625 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: 4 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -2323.408406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.408406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.408406 (E_RNA) where: Base-Base interactions energy: -1575.809 where: short stacking energy: -717.276 Base-Backbone interact. energy: -3.379 local terms energy: -744.220570 where: bonds (distance) C4'-P energy: -137.793 bonds (distance) P-C4' energy: -147.119 flat angles C4'-P-C4' energy: -165.641 flat angles P-C4'-P energy: -110.732 tors. eta vs tors. theta energy: -182.935 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: 5, replica: 5 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -2140.117464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.117464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.117464 (E_RNA) where: Base-Base interactions energy: -1434.420 where: short stacking energy: -627.465 Base-Backbone interact. energy: 0.278 local terms energy: -705.975458 where: bonds (distance) C4'-P energy: -132.822 bonds (distance) P-C4' energy: -169.462 flat angles C4'-P-C4' energy: -161.873 flat angles P-C4'-P energy: -90.441 tors. eta vs tors. theta energy: -151.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -2058.540834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.540834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.540834 (E_RNA) where: Base-Base interactions energy: -1393.543 where: short stacking energy: -589.896 Base-Backbone interact. energy: 2.262 local terms energy: -667.259670 where: bonds (distance) C4'-P energy: -129.374 bonds (distance) P-C4' energy: -140.356 flat angles C4'-P-C4' energy: -153.889 flat angles P-C4'-P energy: -98.552 tors. eta vs tors. theta energy: -145.088 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: 2 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1792.852547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.852547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.852547 (E_RNA) where: Base-Base interactions energy: -1196.628 where: short stacking energy: -526.304 Base-Backbone interact. energy: -3.653 local terms energy: -592.572241 where: bonds (distance) C4'-P energy: -119.436 bonds (distance) P-C4' energy: -149.357 flat angles C4'-P-C4' energy: -136.448 flat angles P-C4'-P energy: -86.848 tors. eta vs tors. theta energy: -100.483 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: 3 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1349.608747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.608747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.608747 (E_RNA) where: Base-Base interactions energy: -824.500 where: short stacking energy: -363.935 Base-Backbone interact. energy: -2.900 local terms energy: -522.208467 where: bonds (distance) C4'-P energy: -133.303 bonds (distance) P-C4' energy: -148.130 flat angles C4'-P-C4' energy: -114.934 flat angles P-C4'-P energy: -84.163 tors. eta vs tors. theta energy: -41.678 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: 6 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -1105.518522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.518522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.518522 (E_RNA) where: Base-Base interactions energy: -636.261 where: short stacking energy: -351.926 Base-Backbone interact. energy: 0.971 local terms energy: -470.228918 where: bonds (distance) C4'-P energy: -127.432 bonds (distance) P-C4' energy: -139.785 flat angles C4'-P-C4' energy: -112.084 flat angles P-C4'-P energy: -64.587 tors. eta vs tors. theta energy: -26.340 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: 10, replica: 1 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -788.087137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.087137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.087137 (E_RNA) where: Base-Base interactions energy: -345.681 where: short stacking energy: -244.617 Base-Backbone interact. energy: 1.253 local terms energy: -443.658757 where: bonds (distance) C4'-P energy: -124.304 bonds (distance) P-C4' energy: -139.489 flat angles C4'-P-C4' energy: -117.616 flat angles P-C4'-P energy: -71.799 tors. eta vs tors. theta energy: 9.549 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: 84 Temperature: 0.900000 Total energy: -2840.375872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.375872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.375872 (E_RNA) where: Base-Base interactions energy: -1956.955 where: short stacking energy: -851.459 Base-Backbone interact. energy: -1.750 local terms energy: -881.670832 where: bonds (distance) C4'-P energy: -160.152 bonds (distance) P-C4' energy: -177.600 flat angles C4'-P-C4' energy: -183.095 flat angles P-C4'-P energy: -116.378 tors. eta vs tors. theta energy: -244.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -2597.865823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.865823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.865823 (E_RNA) where: Base-Base interactions energy: -1779.983 where: short stacking energy: -746.017 Base-Backbone interact. energy: -3.882 local terms energy: -814.000640 where: bonds (distance) C4'-P energy: -159.939 bonds (distance) P-C4' energy: -169.570 flat angles C4'-P-C4' energy: -176.139 flat angles P-C4'-P energy: -123.126 tors. eta vs tors. theta energy: -185.226 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: 3, replica: 7 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -2440.120939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.120939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.120939 (E_RNA) where: Base-Base interactions energy: -1658.897 where: short stacking energy: -756.879 Base-Backbone interact. energy: -2.487 local terms energy: -778.737010 where: bonds (distance) C4'-P energy: -135.407 bonds (distance) P-C4' energy: -146.608 flat angles C4'-P-C4' energy: -164.131 flat angles P-C4'-P energy: -112.524 tors. eta vs tors. theta energy: -220.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -2293.154626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.154626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.154626 (E_RNA) where: Base-Base interactions energy: -1525.650 where: short stacking energy: -709.403 Base-Backbone interact. energy: 0.110 local terms energy: -767.614399 where: bonds (distance) C4'-P energy: -156.445 bonds (distance) P-C4' energy: -144.917 flat angles C4'-P-C4' energy: -168.557 flat angles P-C4'-P energy: -106.337 tors. eta vs tors. theta energy: -191.358 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: 5, replica: 9 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -2055.182028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.182028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.182028 (E_RNA) where: Base-Base interactions energy: -1353.717 where: short stacking energy: -597.628 Base-Backbone interact. energy: -4.564 local terms energy: -696.900942 where: bonds (distance) C4'-P energy: -139.996 bonds (distance) P-C4' energy: -151.628 flat angles C4'-P-C4' energy: -153.311 flat angles P-C4'-P energy: -107.372 tors. eta vs tors. theta energy: -144.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -2061.975777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.975777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.975777 (E_RNA) where: Base-Base interactions energy: -1350.654 where: short stacking energy: -604.686 Base-Backbone interact. energy: -0.942 local terms energy: -710.379635 where: bonds (distance) C4'-P energy: -139.755 bonds (distance) P-C4' energy: -139.249 flat angles C4'-P-C4' energy: -169.965 flat angles P-C4'-P energy: -117.125 tors. eta vs tors. theta energy: -144.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1828.355290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.355290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.355290 (E_RNA) where: Base-Base interactions energy: -1220.001 where: short stacking energy: -545.512 Base-Backbone interact. energy: -1.888 local terms energy: -606.467166 where: bonds (distance) C4'-P energy: -115.380 bonds (distance) P-C4' energy: -133.611 flat angles C4'-P-C4' energy: -150.139 flat angles P-C4'-P energy: -101.604 tors. eta vs tors. theta energy: -105.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -1387.886981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.886981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.886981 (E_RNA) where: Base-Base interactions energy: -836.614 where: short stacking energy: -412.082 Base-Backbone interact. energy: -2.695 local terms energy: -548.577595 where: bonds (distance) C4'-P energy: -129.741 bonds (distance) P-C4' energy: -146.323 flat angles C4'-P-C4' energy: -134.875 flat angles P-C4'-P energy: -85.954 tors. eta vs tors. theta energy: -51.684 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: 9, replica: 6 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -1247.747294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.747294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.747294 (E_RNA) where: Base-Base interactions energy: -744.052 where: short stacking energy: -365.441 Base-Backbone interact. energy: 1.485 local terms energy: -505.179633 where: bonds (distance) C4'-P energy: -116.009 bonds (distance) P-C4' energy: -120.174 flat angles C4'-P-C4' energy: -137.388 flat angles P-C4'-P energy: -95.001 tors. eta vs tors. theta energy: -36.608 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: 1 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -732.562502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.562502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.562502 (E_RNA) where: Base-Base interactions energy: -325.797 where: short stacking energy: -191.522 Base-Backbone interact. energy: 3.236 local terms energy: -410.001582 where: bonds (distance) C4'-P energy: -110.963 bonds (distance) P-C4' energy: -126.810 flat angles C4'-P-C4' energy: -124.495 flat angles P-C4'-P energy: -61.366 tors. eta vs tors. theta energy: 13.633 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: 8 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -2815.250375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.250375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.250375 (E_RNA) where: Base-Base interactions energy: -1949.798 where: short stacking energy: -823.062 Base-Backbone interact. energy: -5.294 local terms energy: -860.158198 where: bonds (distance) C4'-P energy: -155.809 bonds (distance) P-C4' energy: -179.739 flat angles C4'-P-C4' energy: -162.487 flat angles P-C4'-P energy: -117.211 tors. eta vs tors. theta energy: -244.913 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: 10 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -2630.920630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.920630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.920630 (E_RNA) where: Base-Base interactions energy: -1808.158 where: short stacking energy: -783.731 Base-Backbone interact. energy: -4.144 local terms energy: -818.618538 where: bonds (distance) C4'-P energy: -149.813 bonds (distance) P-C4' energy: -170.275 flat angles C4'-P-C4' energy: -173.780 flat angles P-C4'-P energy: -109.613 tors. eta vs tors. theta energy: -215.138 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: 7 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -2400.696370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.696370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.696370 (E_RNA) where: Base-Base interactions energy: -1621.707 where: short stacking energy: -723.142 Base-Backbone interact. energy: -4.664 local terms energy: -774.325608 where: bonds (distance) C4'-P energy: -141.060 bonds (distance) P-C4' energy: -152.639 flat angles C4'-P-C4' energy: -172.611 flat angles P-C4'-P energy: -116.487 tors. eta vs tors. theta energy: -191.529 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: 4, replica: 4 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -2359.261993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.261993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.261993 (E_RNA) where: Base-Base interactions energy: -1597.494 where: short stacking energy: -681.016 Base-Backbone interact. energy: 0.772 local terms energy: -762.539570 where: bonds (distance) C4'-P energy: -156.403 bonds (distance) P-C4' energy: -157.787 flat angles C4'-P-C4' energy: -170.438 flat angles P-C4'-P energy: -95.195 tors. eta vs tors. theta energy: -182.716 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: 9 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -2166.094973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.094973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.094973 (E_RNA) where: Base-Base interactions energy: -1420.921 where: short stacking energy: -648.385 Base-Backbone interact. energy: 0.438 local terms energy: -745.611299 where: bonds (distance) C4'-P energy: -143.056 bonds (distance) P-C4' energy: -152.961 flat angles C4'-P-C4' energy: -168.836 flat angles P-C4'-P energy: -104.218 tors. eta vs tors. theta energy: -176.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -2170.266006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.266006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.266006 (E_RNA) where: Base-Base interactions energy: -1453.135 where: short stacking energy: -642.014 Base-Backbone interact. energy: -2.841 local terms energy: -714.289169 where: bonds (distance) C4'-P energy: -149.146 bonds (distance) P-C4' energy: -132.502 flat angles C4'-P-C4' energy: -153.749 flat angles P-C4'-P energy: -114.094 tors. eta vs tors. theta energy: -164.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1783.185415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.185415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.185415 (E_RNA) where: Base-Base interactions energy: -1181.428 where: short stacking energy: -529.473 Base-Backbone interact. energy: -0.691 local terms energy: -601.066345 where: bonds (distance) C4'-P energy: -125.050 bonds (distance) P-C4' energy: -151.307 flat angles C4'-P-C4' energy: -139.214 flat angles P-C4'-P energy: -76.716 tors. eta vs tors. theta energy: -108.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -1350.745562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.745562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.745562 (E_RNA) where: Base-Base interactions energy: -833.631 where: short stacking energy: -432.939 Base-Backbone interact. energy: 0.228 local terms energy: -517.343297 where: bonds (distance) C4'-P energy: -112.968 bonds (distance) P-C4' energy: -137.787 flat angles C4'-P-C4' energy: -121.216 flat angles P-C4'-P energy: -79.455 tors. eta vs tors. theta energy: -65.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -1218.546847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.546847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.546847 (E_RNA) where: Base-Base interactions energy: -738.542 where: short stacking energy: -343.187 Base-Backbone interact. energy: -1.153 local terms energy: -478.851190 where: bonds (distance) C4'-P energy: -116.584 bonds (distance) P-C4' energy: -138.371 flat angles C4'-P-C4' energy: -138.488 flat angles P-C4'-P energy: -61.307 tors. eta vs tors. theta energy: -24.101 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: 1 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -769.432662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.432662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.432662 (E_RNA) where: Base-Base interactions energy: -342.021 where: short stacking energy: -237.391 Base-Backbone interact. energy: 4.632 local terms energy: -432.044361 where: bonds (distance) C4'-P energy: -117.957 bonds (distance) P-C4' energy: -122.800 flat angles C4'-P-C4' energy: -133.277 flat angles P-C4'-P energy: -65.135 tors. eta vs tors. theta energy: 7.124 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: 86 Temperature: 0.900000 Total energy: -2829.655572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.655572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.655572 (E_RNA) where: Base-Base interactions energy: -1974.253 where: short stacking energy: -856.129 Base-Backbone interact. energy: -3.730 local terms energy: -851.672379 where: bonds (distance) C4'-P energy: -150.516 bonds (distance) P-C4' energy: -157.552 flat angles C4'-P-C4' energy: -170.834 flat angles P-C4'-P energy: -118.687 tors. eta vs tors. theta energy: -254.084 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: 2, replica: 10 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -2602.874715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.874715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.874715 (E_RNA) where: Base-Base interactions energy: -1783.910 where: short stacking energy: -773.626 Base-Backbone interact. energy: -2.548 local terms energy: -816.416878 where: bonds (distance) C4'-P energy: -158.150 bonds (distance) P-C4' energy: -163.467 flat angles C4'-P-C4' energy: -183.292 flat angles P-C4'-P energy: -109.399 tors. eta vs tors. theta energy: -202.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -2436.592272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.592272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.592272 (E_RNA) where: Base-Base interactions energy: -1676.800 where: short stacking energy: -731.075 Base-Backbone interact. energy: -3.182 local terms energy: -756.610110 where: bonds (distance) C4'-P energy: -153.278 bonds (distance) P-C4' energy: -138.447 flat angles C4'-P-C4' energy: -165.139 flat angles P-C4'-P energy: -99.596 tors. eta vs tors. theta energy: -200.151 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: 4, replica: 4 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -2331.752200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.752200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.752200 (E_RNA) where: Base-Base interactions energy: -1585.384 where: short stacking energy: -718.505 Base-Backbone interact. energy: -2.764 local terms energy: -743.603622 where: bonds (distance) C4'-P energy: -149.538 bonds (distance) P-C4' energy: -157.229 flat angles C4'-P-C4' energy: -146.096 flat angles P-C4'-P energy: -99.682 tors. eta vs tors. theta energy: -191.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -2160.390605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.390605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.390605 (E_RNA) where: Base-Base interactions energy: -1435.267 where: short stacking energy: -677.067 Base-Backbone interact. energy: -1.620 local terms energy: -723.503071 where: bonds (distance) C4'-P energy: -142.765 bonds (distance) P-C4' energy: -141.350 flat angles C4'-P-C4' energy: -164.202 flat angles P-C4'-P energy: -101.748 tors. eta vs tors. theta energy: -173.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -2081.269235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.269235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.269235 (E_RNA) where: Base-Base interactions energy: -1416.275 where: short stacking energy: -577.883 Base-Backbone interact. energy: -6.859 local terms energy: -658.134840 where: bonds (distance) C4'-P energy: -147.226 bonds (distance) P-C4' energy: -142.977 flat angles C4'-P-C4' energy: -142.037 flat angles P-C4'-P energy: -84.544 tors. eta vs tors. theta energy: -141.352 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: 2 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1809.480259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.480259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.480259 (E_RNA) where: Base-Base interactions energy: -1186.140 where: short stacking energy: -523.943 Base-Backbone interact. energy: -5.508 local terms energy: -617.831983 where: bonds (distance) C4'-P energy: -126.292 bonds (distance) P-C4' energy: -137.638 flat angles C4'-P-C4' energy: -163.195 flat angles P-C4'-P energy: -75.459 tors. eta vs tors. theta energy: -115.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -1380.503761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.503761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.503761 (E_RNA) where: Base-Base interactions energy: -830.417 where: short stacking energy: -393.073 Base-Backbone interact. energy: -0.849 local terms energy: -549.237310 where: bonds (distance) C4'-P energy: -137.816 bonds (distance) P-C4' energy: -140.310 flat angles C4'-P-C4' energy: -119.779 flat angles P-C4'-P energy: -78.674 tors. eta vs tors. theta energy: -72.658 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: 86 Temperature: 1.300000 Total energy: -1218.115519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.115519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.115519 (E_RNA) where: Base-Base interactions energy: -730.148 where: short stacking energy: -327.037 Base-Backbone interact. energy: -2.317 local terms energy: -485.650446 where: bonds (distance) C4'-P energy: -120.391 bonds (distance) P-C4' energy: -142.614 flat angles C4'-P-C4' energy: -100.898 flat angles P-C4'-P energy: -84.368 tors. eta vs tors. theta energy: -37.380 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: 10, replica: 1 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -722.189878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.189878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.189878 (E_RNA) where: Base-Base interactions energy: -304.240 where: short stacking energy: -216.533 Base-Backbone interact. energy: -0.850 local terms energy: -417.099411 where: bonds (distance) C4'-P energy: -126.499 bonds (distance) P-C4' energy: -126.610 flat angles C4'-P-C4' energy: -119.501 flat angles P-C4'-P energy: -68.623 tors. eta vs tors. theta energy: 24.132 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: 8 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -2809.895190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.895190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.895190 (E_RNA) where: Base-Base interactions energy: -1961.500 where: short stacking energy: -811.454 Base-Backbone interact. energy: -3.212 local terms energy: -845.182833 where: bonds (distance) C4'-P energy: -153.976 bonds (distance) P-C4' energy: -167.286 flat angles C4'-P-C4' energy: -172.445 flat angles P-C4'-P energy: -115.988 tors. eta vs tors. theta energy: -235.488 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: 10 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -2589.294758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.294758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.294758 (E_RNA) where: Base-Base interactions energy: -1793.494 where: short stacking energy: -755.142 Base-Backbone interact. energy: -4.515 local terms energy: -791.285664 where: bonds (distance) C4'-P energy: -141.250 bonds (distance) P-C4' energy: -167.954 flat angles C4'-P-C4' energy: -178.162 flat angles P-C4'-P energy: -105.963 tors. eta vs tors. theta energy: -197.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -2457.730489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.730489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.730489 (E_RNA) where: Base-Base interactions energy: -1654.660 where: short stacking energy: -730.135 Base-Backbone interact. energy: -2.530 local terms energy: -800.541012 where: bonds (distance) C4'-P energy: -138.061 bonds (distance) P-C4' energy: -164.559 flat angles C4'-P-C4' energy: -174.335 flat angles P-C4'-P energy: -110.567 tors. eta vs tors. theta energy: -213.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -2300.997293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.997293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.997293 (E_RNA) where: Base-Base interactions energy: -1558.431 where: short stacking energy: -712.025 Base-Backbone interact. energy: -5.761 local terms energy: -736.804773 where: bonds (distance) C4'-P energy: -132.688 bonds (distance) P-C4' energy: -158.091 flat angles C4'-P-C4' energy: -171.037 flat angles P-C4'-P energy: -97.196 tors. eta vs tors. theta energy: -177.793 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: 87 Temperature: 1.100000 Total energy: -2148.356189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.356189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.356189 (E_RNA) where: Base-Base interactions energy: -1409.204 where: short stacking energy: -631.084 Base-Backbone interact. energy: -0.858 local terms energy: -738.293751 where: bonds (distance) C4'-P energy: -159.342 bonds (distance) P-C4' energy: -159.484 flat angles C4'-P-C4' energy: -156.927 flat angles P-C4'-P energy: -105.180 tors. eta vs tors. theta energy: -157.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -2113.060320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.060320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.060320 (E_RNA) where: Base-Base interactions energy: -1438.750 where: short stacking energy: -613.480 Base-Backbone interact. energy: -5.478 local terms energy: -668.832212 where: bonds (distance) C4'-P energy: -123.000 bonds (distance) P-C4' energy: -125.503 flat angles C4'-P-C4' energy: -161.158 flat angles P-C4'-P energy: -106.410 tors. eta vs tors. theta energy: -152.761 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: 2 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1837.232539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.232539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.232539 (E_RNA) where: Base-Base interactions energy: -1249.195 where: short stacking energy: -544.097 Base-Backbone interact. energy: 4.105 local terms energy: -592.143259 where: bonds (distance) C4'-P energy: -138.546 bonds (distance) P-C4' energy: -129.614 flat angles C4'-P-C4' energy: -120.789 flat angles P-C4'-P energy: -83.773 tors. eta vs tors. theta energy: -119.422 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: 3 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1368.010835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.010835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.010835 (E_RNA) where: Base-Base interactions energy: -797.916 where: short stacking energy: -378.006 Base-Backbone interact. energy: -4.565 local terms energy: -565.529272 where: bonds (distance) C4'-P energy: -138.371 bonds (distance) P-C4' energy: -152.729 flat angles C4'-P-C4' energy: -145.322 flat angles P-C4'-P energy: -64.445 tors. eta vs tors. theta energy: -64.662 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: 9, replica: 6 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -1349.481949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.481949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.481949 (E_RNA) where: Base-Base interactions energy: -820.282 where: short stacking energy: -398.773 Base-Backbone interact. energy: -1.844 local terms energy: -527.355647 where: bonds (distance) C4'-P energy: -114.431 bonds (distance) P-C4' energy: -129.441 flat angles C4'-P-C4' energy: -144.129 flat angles P-C4'-P energy: -85.338 tors. eta vs tors. theta energy: -54.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -747.278239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.278239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.278239 (E_RNA) where: Base-Base interactions energy: -318.337 where: short stacking energy: -230.313 Base-Backbone interact. energy: 0.042 local terms energy: -428.982661 where: bonds (distance) C4'-P energy: -126.510 bonds (distance) P-C4' energy: -142.192 flat angles C4'-P-C4' energy: -111.369 flat angles P-C4'-P energy: -49.909 tors. eta vs tors. theta energy: 0.997 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: 88 Temperature: 0.900000 Total energy: -2808.395216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.395216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.395216 (E_RNA) where: Base-Base interactions energy: -1934.156 where: short stacking energy: -826.153 Base-Backbone interact. energy: -2.805 local terms energy: -871.435059 where: bonds (distance) C4'-P energy: -171.856 bonds (distance) P-C4' energy: -148.940 flat angles C4'-P-C4' energy: -187.998 flat angles P-C4'-P energy: -111.608 tors. eta vs tors. theta energy: -251.033 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: 10 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -2622.484104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.484104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.484104 (E_RNA) where: Base-Base interactions energy: -1817.324 where: short stacking energy: -770.575 Base-Backbone interact. energy: -2.566 local terms energy: -802.593799 where: bonds (distance) C4'-P energy: -161.097 bonds (distance) P-C4' energy: -173.951 flat angles C4'-P-C4' energy: -160.594 flat angles P-C4'-P energy: -104.366 tors. eta vs tors. theta energy: -202.585 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: 7 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -2408.513025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.513025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.513025 (E_RNA) where: Base-Base interactions energy: -1593.685 where: short stacking energy: -713.557 Base-Backbone interact. energy: -3.639 local terms energy: -811.188674 where: bonds (distance) C4'-P energy: -142.984 bonds (distance) P-C4' energy: -173.872 flat angles C4'-P-C4' energy: -176.951 flat angles P-C4'-P energy: -124.034 tors. eta vs tors. theta energy: -193.348 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: 4, replica: 4 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -2340.324997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.324997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.324997 (E_RNA) where: Base-Base interactions energy: -1578.903 where: short stacking energy: -671.109 Base-Backbone interact. energy: -2.919 local terms energy: -758.502396 where: bonds (distance) C4'-P energy: -137.350 bonds (distance) P-C4' energy: -164.921 flat angles C4'-P-C4' energy: -175.591 flat angles P-C4'-P energy: -112.104 tors. eta vs tors. theta energy: -168.537 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: 5, replica: 9 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -2144.434062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.434062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.434062 (E_RNA) where: Base-Base interactions energy: -1414.584 where: short stacking energy: -646.960 Base-Backbone interact. energy: -2.855 local terms energy: -726.994756 where: bonds (distance) C4'-P energy: -152.568 bonds (distance) P-C4' energy: -140.683 flat angles C4'-P-C4' energy: -165.110 flat angles P-C4'-P energy: -103.150 tors. eta vs tors. theta energy: -165.484 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: 5 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -2116.562171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.562171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.562171 (E_RNA) where: Base-Base interactions energy: -1419.581 where: short stacking energy: -623.506 Base-Backbone interact. energy: -0.417 local terms energy: -696.564170 where: bonds (distance) C4'-P energy: -147.106 bonds (distance) P-C4' energy: -141.493 flat angles C4'-P-C4' energy: -150.964 flat angles P-C4'-P energy: -98.663 tors. eta vs tors. theta energy: -158.338 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: 2 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1808.971012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.971012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.971012 (E_RNA) where: Base-Base interactions energy: -1212.134 where: short stacking energy: -537.685 Base-Backbone interact. energy: -1.696 local terms energy: -595.140134 where: bonds (distance) C4'-P energy: -113.031 bonds (distance) P-C4' energy: -130.166 flat angles C4'-P-C4' energy: -138.279 flat angles P-C4'-P energy: -80.300 tors. eta vs tors. theta energy: -133.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1362.865137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.865137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.865137 (E_RNA) where: Base-Base interactions energy: -772.247 where: short stacking energy: -367.833 Base-Backbone interact. energy: -3.856 local terms energy: -586.761918 where: bonds (distance) C4'-P energy: -141.858 bonds (distance) P-C4' energy: -148.584 flat angles C4'-P-C4' energy: -144.284 flat angles P-C4'-P energy: -78.077 tors. eta vs tors. theta energy: -73.958 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: 6 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -1353.026129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.026129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.026129 (E_RNA) where: Base-Base interactions energy: -819.494 where: short stacking energy: -387.975 Base-Backbone interact. energy: 0.079 local terms energy: -533.610349 where: bonds (distance) C4'-P energy: -138.615 bonds (distance) P-C4' energy: -133.301 flat angles C4'-P-C4' energy: -121.688 flat angles P-C4'-P energy: -78.155 tors. eta vs tors. theta energy: -61.851 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: 10, replica: 1 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -756.191184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.191184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.191184 (E_RNA) where: Base-Base interactions energy: -324.698 where: short stacking energy: -197.772 Base-Backbone interact. energy: -0.413 local terms energy: -431.080936 where: bonds (distance) C4'-P energy: -116.401 bonds (distance) P-C4' energy: -143.929 flat angles C4'-P-C4' energy: -121.404 flat angles P-C4'-P energy: -70.981 tors. eta vs tors. theta energy: 21.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -2821.083734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.083734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.083734 (E_RNA) where: Base-Base interactions energy: -1953.021 where: short stacking energy: -810.602 Base-Backbone interact. energy: -2.960 local terms energy: -865.102691 where: bonds (distance) C4'-P energy: -154.155 bonds (distance) P-C4' energy: -158.971 flat angles C4'-P-C4' energy: -194.643 flat angles P-C4'-P energy: -115.683 tors. eta vs tors. theta energy: -241.651 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: 10 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -2610.755255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.755255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.755255 (E_RNA) where: Base-Base interactions energy: -1808.618 where: short stacking energy: -774.924 Base-Backbone interact. energy: 3.482 local terms energy: -805.618747 where: bonds (distance) C4'-P energy: -145.189 bonds (distance) P-C4' energy: -167.731 flat angles C4'-P-C4' energy: -172.911 flat angles P-C4'-P energy: -118.312 tors. eta vs tors. theta energy: -201.475 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: 7 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -2395.797126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.797126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.797126 (E_RNA) where: Base-Base interactions energy: -1592.951 where: short stacking energy: -710.962 Base-Backbone interact. energy: -3.559 local terms energy: -799.287081 where: bonds (distance) C4'-P energy: -145.437 bonds (distance) P-C4' energy: -162.790 flat angles C4'-P-C4' energy: -188.023 flat angles P-C4'-P energy: -108.644 tors. eta vs tors. theta energy: -194.394 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: 4, replica: 4 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -2315.211511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.211511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.211511 (E_RNA) where: Base-Base interactions energy: -1585.660 where: short stacking energy: -713.772 Base-Backbone interact. energy: -2.646 local terms energy: -726.905724 where: bonds (distance) C4'-P energy: -133.448 bonds (distance) P-C4' energy: -150.911 flat angles C4'-P-C4' energy: -166.324 flat angles P-C4'-P energy: -108.108 tors. eta vs tors. theta energy: -168.115 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: 9 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -2149.588891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.588891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.588891 (E_RNA) where: Base-Base interactions energy: -1432.444 where: short stacking energy: -643.230 Base-Backbone interact. energy: 0.887 local terms energy: -718.031264 where: bonds (distance) C4'-P energy: -151.209 bonds (distance) P-C4' energy: -144.217 flat angles C4'-P-C4' energy: -165.753 flat angles P-C4'-P energy: -89.304 tors. eta vs tors. theta energy: -167.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -2046.919664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.919664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.919664 (E_RNA) where: Base-Base interactions energy: -1386.961 where: short stacking energy: -604.797 Base-Backbone interact. energy: 3.041 local terms energy: -662.999348 where: bonds (distance) C4'-P energy: -137.223 bonds (distance) P-C4' energy: -138.578 flat angles C4'-P-C4' energy: -158.871 flat angles P-C4'-P energy: -98.960 tors. eta vs tors. theta energy: -129.368 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: 7, replica: 2 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1778.961481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.961481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.961481 (E_RNA) where: Base-Base interactions energy: -1131.795 where: short stacking energy: -512.716 Base-Backbone interact. energy: -1.540 local terms energy: -645.626473 where: bonds (distance) C4'-P energy: -136.612 bonds (distance) P-C4' energy: -143.970 flat angles C4'-P-C4' energy: -157.497 flat angles P-C4'-P energy: -109.521 tors. eta vs tors. theta energy: -98.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1437.392183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.392183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.392183 (E_RNA) where: Base-Base interactions energy: -905.336 where: short stacking energy: -414.364 Base-Backbone interact. energy: 5.559 local terms energy: -537.614478 where: bonds (distance) C4'-P energy: -128.041 bonds (distance) P-C4' energy: -125.476 flat angles C4'-P-C4' energy: -130.012 flat angles P-C4'-P energy: -92.455 tors. eta vs tors. theta energy: -61.631 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: 9, replica: 3 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -1254.636775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.636775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.636775 (E_RNA) where: Base-Base interactions energy: -746.771 where: short stacking energy: -374.880 Base-Backbone interact. energy: -2.206 local terms energy: -505.660322 where: bonds (distance) C4'-P energy: -123.727 bonds (distance) P-C4' energy: -144.646 flat angles C4'-P-C4' energy: -129.910 flat angles P-C4'-P energy: -66.356 tors. eta vs tors. theta energy: -41.021 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: 1 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -717.467662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.467662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.467662 (E_RNA) where: Base-Base interactions energy: -281.422 where: short stacking energy: -206.853 Base-Backbone interact. energy: 0.597 local terms energy: -436.643189 where: bonds (distance) C4'-P energy: -148.033 bonds (distance) P-C4' energy: -124.529 flat angles C4'-P-C4' energy: -110.015 flat angles P-C4'-P energy: -57.258 tors. eta vs tors. theta energy: 3.193 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: 90 Temperature: 0.900000 Total energy: -2821.314229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.314229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.314229 (E_RNA) where: Base-Base interactions energy: -1971.323 where: short stacking energy: -807.427 Base-Backbone interact. energy: 0.250 local terms energy: -850.241375 where: bonds (distance) C4'-P energy: -162.893 bonds (distance) P-C4' energy: -154.781 flat angles C4'-P-C4' energy: -180.173 flat angles P-C4'-P energy: -115.767 tors. eta vs tors. theta energy: -236.627 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: 10 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -2618.168544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.168544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.168544 (E_RNA) where: Base-Base interactions energy: -1817.297 where: short stacking energy: -764.025 Base-Backbone interact. energy: 0.235 local terms energy: -801.107211 where: bonds (distance) C4'-P energy: -155.546 bonds (distance) P-C4' energy: -148.394 flat angles C4'-P-C4' energy: -183.535 flat angles P-C4'-P energy: -114.681 tors. eta vs tors. theta energy: -198.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -2422.000980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.000980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.000980 (E_RNA) where: Base-Base interactions energy: -1649.098 where: short stacking energy: -733.894 Base-Backbone interact. energy: 2.764 local terms energy: -775.667093 where: bonds (distance) C4'-P energy: -149.587 bonds (distance) P-C4' energy: -152.187 flat angles C4'-P-C4' energy: -163.696 flat angles P-C4'-P energy: -116.474 tors. eta vs tors. theta energy: -193.723 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: 4, replica: 4 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -2313.261879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.261879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.261879 (E_RNA) where: Base-Base interactions energy: -1561.752 where: short stacking energy: -677.902 Base-Backbone interact. energy: -4.185 local terms energy: -747.324768 where: bonds (distance) C4'-P energy: -143.443 bonds (distance) P-C4' energy: -164.662 flat angles C4'-P-C4' energy: -163.830 flat angles P-C4'-P energy: -105.924 tors. eta vs tors. theta energy: -169.466 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: 9 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -2148.081917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.081917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.081917 (E_RNA) where: Base-Base interactions energy: -1435.978 where: short stacking energy: -641.021 Base-Backbone interact. energy: 2.334 local terms energy: -714.437902 where: bonds (distance) C4'-P energy: -131.276 bonds (distance) P-C4' energy: -150.375 flat angles C4'-P-C4' energy: -157.986 flat angles P-C4'-P energy: -101.226 tors. eta vs tors. theta energy: -173.575 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: 6, replica: 5 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -2122.682696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.682696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.682696 (E_RNA) where: Base-Base interactions energy: -1424.240 where: short stacking energy: -600.596 Base-Backbone interact. energy: 0.980 local terms energy: -699.423291 where: bonds (distance) C4'-P energy: -133.065 bonds (distance) P-C4' energy: -167.221 flat angles C4'-P-C4' energy: -149.036 flat angles P-C4'-P energy: -101.052 tors. eta vs tors. theta energy: -149.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1782.510436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.510436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.510436 (E_RNA) where: Base-Base interactions energy: -1149.257 where: short stacking energy: -547.060 Base-Backbone interact. energy: 1.054 local terms energy: -634.307010 where: bonds (distance) C4'-P energy: -136.916 bonds (distance) P-C4' energy: -141.729 flat angles C4'-P-C4' energy: -140.961 flat angles P-C4'-P energy: -99.248 tors. eta vs tors. theta energy: -115.452 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: 90 Temperature: 1.250000 Total energy: -1436.142790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.142790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.142790 (E_RNA) where: Base-Base interactions energy: -861.515 where: short stacking energy: -443.469 Base-Backbone interact. energy: -2.554 local terms energy: -572.073803 where: bonds (distance) C4'-P energy: -123.931 bonds (distance) P-C4' energy: -125.967 flat angles C4'-P-C4' energy: -142.284 flat angles P-C4'-P energy: -89.556 tors. eta vs tors. theta energy: -90.336 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: 9, replica: 3 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -1226.722521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.722521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.722521 (E_RNA) where: Base-Base interactions energy: -736.443 where: short stacking energy: -357.715 Base-Backbone interact. energy: -1.459 local terms energy: -488.820451 where: bonds (distance) C4'-P energy: -124.578 bonds (distance) P-C4' energy: -119.166 flat angles C4'-P-C4' energy: -119.772 flat angles P-C4'-P energy: -79.314 tors. eta vs tors. theta energy: -45.990 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: 10, replica: 1 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -716.176337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.176337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.176337 (E_RNA) where: Base-Base interactions energy: -297.213 where: short stacking energy: -202.792 Base-Backbone interact. energy: 1.472 local terms energy: -420.435499 where: bonds (distance) C4'-P energy: -129.212 bonds (distance) P-C4' energy: -142.848 flat angles C4'-P-C4' energy: -99.768 flat angles P-C4'-P energy: -59.457 tors. eta vs tors. theta energy: 10.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -2780.212652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.212652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.212652 (E_RNA) where: Base-Base interactions energy: -1944.830 where: short stacking energy: -810.378 Base-Backbone interact. energy: -3.430 local terms energy: -831.953213 where: bonds (distance) C4'-P energy: -167.326 bonds (distance) P-C4' energy: -144.195 flat angles C4'-P-C4' energy: -180.776 flat angles P-C4'-P energy: -110.680 tors. eta vs tors. theta energy: -228.976 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: 2, replica: 10 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2622.332133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.332133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.332133 (E_RNA) where: Base-Base interactions energy: -1792.154 where: short stacking energy: -793.863 Base-Backbone interact. energy: -5.354 local terms energy: -824.823656 where: bonds (distance) C4'-P energy: -172.021 bonds (distance) P-C4' energy: -152.234 flat angles C4'-P-C4' energy: -177.676 flat angles P-C4'-P energy: -120.774 tors. eta vs tors. theta energy: -202.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -2414.824026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.824026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.824026 (E_RNA) where: Base-Base interactions energy: -1645.409 where: short stacking energy: -728.488 Base-Backbone interact. energy: -6.313 local terms energy: -763.102282 where: bonds (distance) C4'-P energy: -130.094 bonds (distance) P-C4' energy: -162.347 flat angles C4'-P-C4' energy: -168.926 flat angles P-C4'-P energy: -126.776 tors. eta vs tors. theta energy: -174.959 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: 4 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -2384.114099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.114099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.114099 (E_RNA) where: Base-Base interactions energy: -1619.746 where: short stacking energy: -713.120 Base-Backbone interact. energy: -1.147 local terms energy: -763.221717 where: bonds (distance) C4'-P energy: -157.086 bonds (distance) P-C4' energy: -149.938 flat angles C4'-P-C4' energy: -154.834 flat angles P-C4'-P energy: -114.068 tors. eta vs tors. theta energy: -187.295 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: 9 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -2164.818582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.818582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.818582 (E_RNA) where: Base-Base interactions energy: -1444.649 where: short stacking energy: -622.458 Base-Backbone interact. energy: 1.505 local terms energy: -721.674509 where: bonds (distance) C4'-P energy: -153.068 bonds (distance) P-C4' energy: -144.036 flat angles C4'-P-C4' energy: -162.372 flat angles P-C4'-P energy: -93.010 tors. eta vs tors. theta energy: -169.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -2094.373741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.373741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.373741 (E_RNA) where: Base-Base interactions energy: -1415.292 where: short stacking energy: -634.793 Base-Backbone interact. energy: 0.006 local terms energy: -679.087018 where: bonds (distance) C4'-P energy: -136.723 bonds (distance) P-C4' energy: -135.938 flat angles C4'-P-C4' energy: -151.848 flat angles P-C4'-P energy: -92.532 tors. eta vs tors. theta energy: -162.046 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: 7, replica: 2 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1780.227618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.227618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.227618 (E_RNA) where: Base-Base interactions energy: -1171.723 where: short stacking energy: -541.036 Base-Backbone interact. energy: 0.453 local terms energy: -608.957732 where: bonds (distance) C4'-P energy: -132.978 bonds (distance) P-C4' energy: -136.948 flat angles C4'-P-C4' energy: -129.434 flat angles P-C4'-P energy: -76.759 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: 8, replica: 6 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1439.930866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.930866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.930866 (E_RNA) where: Base-Base interactions energy: -894.593 where: short stacking energy: -390.875 Base-Backbone interact. energy: 3.599 local terms energy: -548.937124 where: bonds (distance) C4'-P energy: -133.514 bonds (distance) P-C4' energy: -111.150 flat angles C4'-P-C4' energy: -139.885 flat angles P-C4'-P energy: -95.090 tors. eta vs tors. theta energy: -69.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -1130.816101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.816101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.816101 (E_RNA) where: Base-Base interactions energy: -655.891 where: short stacking energy: -357.403 Base-Backbone interact. energy: -1.308 local terms energy: -473.617348 where: bonds (distance) C4'-P energy: -123.160 bonds (distance) P-C4' energy: -147.906 flat angles C4'-P-C4' energy: -110.212 flat angles P-C4'-P energy: -67.132 tors. eta vs tors. theta energy: -25.208 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: 10, replica: 1 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -829.141438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.141438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.141438 (E_RNA) where: Base-Base interactions energy: -427.238 where: short stacking energy: -255.297 Base-Backbone interact. energy: -1.676 local terms energy: -400.227900 where: bonds (distance) C4'-P energy: -119.552 bonds (distance) P-C4' energy: -122.265 flat angles C4'-P-C4' energy: -113.456 flat angles P-C4'-P energy: -49.659 tors. eta vs tors. theta energy: 4.704 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: 92 Temperature: 0.900000 Total energy: -2800.886112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.886112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.886112 (E_RNA) where: Base-Base interactions energy: -1957.655 where: short stacking energy: -841.327 Base-Backbone interact. energy: -4.223 local terms energy: -839.008037 where: bonds (distance) C4'-P energy: -161.405 bonds (distance) P-C4' energy: -162.462 flat angles C4'-P-C4' energy: -171.790 flat angles P-C4'-P energy: -107.533 tors. eta vs tors. theta energy: -235.819 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: 2, replica: 10 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -2633.481938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.481938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.481938 (E_RNA) where: Base-Base interactions energy: -1828.677 where: short stacking energy: -778.333 Base-Backbone interact. energy: -3.909 local terms energy: -800.895344 where: bonds (distance) C4'-P energy: -160.738 bonds (distance) P-C4' energy: -150.780 flat angles C4'-P-C4' energy: -167.488 flat angles P-C4'-P energy: -110.796 tors. eta vs tors. theta energy: -211.094 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: 3, replica: 7 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -2452.749143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.749143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.749143 (E_RNA) where: Base-Base interactions energy: -1678.888 where: short stacking energy: -740.135 Base-Backbone interact. energy: 1.023 local terms energy: -774.884473 where: bonds (distance) C4'-P energy: -165.909 bonds (distance) P-C4' energy: -145.068 flat angles C4'-P-C4' energy: -166.449 flat angles P-C4'-P energy: -99.502 tors. eta vs tors. theta energy: -197.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -2386.218628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.218628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.218628 (E_RNA) where: Base-Base interactions energy: -1607.049 where: short stacking energy: -694.461 Base-Backbone interact. energy: -4.895 local terms energy: -774.274982 where: bonds (distance) C4'-P energy: -155.762 bonds (distance) P-C4' energy: -164.352 flat angles C4'-P-C4' energy: -168.976 flat angles P-C4'-P energy: -96.918 tors. eta vs tors. theta energy: -188.267 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: 5, replica: 9 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -2121.368561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.368561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.368561 (E_RNA) where: Base-Base interactions energy: -1421.779 where: short stacking energy: -625.731 Base-Backbone interact. energy: -3.030 local terms energy: -696.560198 where: bonds (distance) C4'-P energy: -142.344 bonds (distance) P-C4' energy: -146.514 flat angles C4'-P-C4' energy: -141.723 flat angles P-C4'-P energy: -112.803 tors. eta vs tors. theta energy: -153.177 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: 5 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -2125.281293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.281293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.281293 (E_RNA) where: Base-Base interactions energy: -1443.059 where: short stacking energy: -612.729 Base-Backbone interact. energy: -1.457 local terms energy: -680.765694 where: bonds (distance) C4'-P energy: -140.028 bonds (distance) P-C4' energy: -133.267 flat angles C4'-P-C4' energy: -154.406 flat angles P-C4'-P energy: -87.284 tors. eta vs tors. theta energy: -165.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1885.438021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.438021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.438021 (E_RNA) where: Base-Base interactions energy: -1252.536 where: short stacking energy: -547.025 Base-Backbone interact. energy: 1.618 local terms energy: -634.520033 where: bonds (distance) C4'-P energy: -137.441 bonds (distance) P-C4' energy: -127.413 flat angles C4'-P-C4' energy: -141.601 flat angles P-C4'-P energy: -95.273 tors. eta vs tors. theta energy: -132.793 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: 6 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -1422.678821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.678821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.678821 (E_RNA) where: Base-Base interactions energy: -848.511 where: short stacking energy: -418.472 Base-Backbone interact. energy: 7.232 local terms energy: -581.399408 where: bonds (distance) C4'-P energy: -126.745 bonds (distance) P-C4' energy: -136.268 flat angles C4'-P-C4' energy: -152.320 flat angles P-C4'-P energy: -94.818 tors. eta vs tors. theta energy: -71.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -1113.730063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.730063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.730063 (E_RNA) where: Base-Base interactions energy: -594.302 where: short stacking energy: -314.654 Base-Backbone interact. energy: -0.457 local terms energy: -518.970184 where: bonds (distance) C4'-P energy: -146.681 bonds (distance) P-C4' energy: -140.387 flat angles C4'-P-C4' energy: -122.731 flat angles P-C4'-P energy: -82.255 tors. eta vs tors. theta energy: -26.916 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: 10, replica: 1 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -755.392190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.392190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.392190 (E_RNA) where: Base-Base interactions energy: -316.253 where: short stacking energy: -237.405 Base-Backbone interact. energy: -1.174 local terms energy: -437.964992 where: bonds (distance) C4'-P energy: -120.025 bonds (distance) P-C4' energy: -130.579 flat angles C4'-P-C4' energy: -117.225 flat angles P-C4'-P energy: -75.154 tors. eta vs tors. theta energy: 5.018 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: 8 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -2830.179768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.179768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.179768 (E_RNA) where: Base-Base interactions energy: -1989.001 where: short stacking energy: -840.277 Base-Backbone interact. energy: -5.638 local terms energy: -835.540604 where: bonds (distance) C4'-P energy: -148.409 bonds (distance) P-C4' energy: -145.461 flat angles C4'-P-C4' energy: -187.476 flat angles P-C4'-P energy: -117.578 tors. eta vs tors. theta energy: -236.616 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: 2, replica: 10 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2616.415501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.415501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.415501 (E_RNA) where: Base-Base interactions energy: -1799.176 where: short stacking energy: -744.955 Base-Backbone interact. energy: -1.724 local terms energy: -815.516175 where: bonds (distance) C4'-P energy: -153.682 bonds (distance) P-C4' energy: -169.822 flat angles C4'-P-C4' energy: -168.861 flat angles P-C4'-P energy: -121.350 tors. eta vs tors. theta energy: -201.801 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: 7 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -2452.106402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.106402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.106402 (E_RNA) where: Base-Base interactions energy: -1647.323 where: short stacking energy: -721.274 Base-Backbone interact. energy: -1.885 local terms energy: -802.898495 where: bonds (distance) C4'-P energy: -137.235 bonds (distance) P-C4' energy: -165.912 flat angles C4'-P-C4' energy: -168.679 flat angles P-C4'-P energy: -123.245 tors. eta vs tors. theta energy: -207.828 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: 93 Temperature: 1.050000 Total energy: -2439.193036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.193036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.193036 (E_RNA) where: Base-Base interactions energy: -1692.442 where: short stacking energy: -733.401 Base-Backbone interact. energy: 0.796 local terms energy: -747.547012 where: bonds (distance) C4'-P energy: -131.602 bonds (distance) P-C4' energy: -153.996 flat angles C4'-P-C4' energy: -169.128 flat angles P-C4'-P energy: -109.760 tors. eta vs tors. theta energy: -183.062 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: 5, replica: 9 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -2104.921939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.921939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.921939 (E_RNA) where: Base-Base interactions energy: -1409.541 where: short stacking energy: -655.547 Base-Backbone interact. energy: -1.295 local terms energy: -694.085602 where: bonds (distance) C4'-P energy: -132.941 bonds (distance) P-C4' energy: -134.613 flat angles C4'-P-C4' energy: -143.571 flat angles P-C4'-P energy: -126.790 tors. eta vs tors. theta energy: -156.171 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: 6, replica: 5 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -2100.443858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.443858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.443858 (E_RNA) where: Base-Base interactions energy: -1445.281 where: short stacking energy: -611.408 Base-Backbone interact. energy: 0.887 local terms energy: -656.049939 where: bonds (distance) C4'-P energy: -139.720 bonds (distance) P-C4' energy: -129.618 flat angles C4'-P-C4' energy: -153.747 flat angles P-C4'-P energy: -103.283 tors. eta vs tors. theta energy: -129.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1894.790622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.790622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.790622 (E_RNA) where: Base-Base interactions energy: -1281.506 where: short stacking energy: -565.357 Base-Backbone interact. energy: 7.037 local terms energy: -620.321244 where: bonds (distance) C4'-P energy: -143.086 bonds (distance) P-C4' energy: -134.587 flat angles C4'-P-C4' energy: -140.631 flat angles P-C4'-P energy: -77.330 tors. eta vs tors. theta energy: -124.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1452.755683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.755683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.755683 (E_RNA) where: Base-Base interactions energy: -869.416 where: short stacking energy: -415.455 Base-Backbone interact. energy: 0.293 local terms energy: -583.632551 where: bonds (distance) C4'-P energy: -140.213 bonds (distance) P-C4' energy: -144.146 flat angles C4'-P-C4' energy: -138.738 flat angles P-C4'-P energy: -88.162 tors. eta vs tors. theta energy: -72.374 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: 3 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -1133.991421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.991421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.991421 (E_RNA) where: Base-Base interactions energy: -620.321 where: short stacking energy: -313.702 Base-Backbone interact. energy: 2.751 local terms energy: -516.421633 where: bonds (distance) C4'-P energy: -139.650 bonds (distance) P-C4' energy: -140.417 flat angles C4'-P-C4' energy: -131.355 flat angles P-C4'-P energy: -83.630 tors. eta vs tors. theta energy: -21.369 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: 1 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -678.326898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.326898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.326898 (E_RNA) where: Base-Base interactions energy: -257.333 where: short stacking energy: -187.003 Base-Backbone interact. energy: -2.684 local terms energy: -418.309909 where: bonds (distance) C4'-P energy: -134.792 bonds (distance) P-C4' energy: -138.155 flat angles C4'-P-C4' energy: -84.081 flat angles P-C4'-P energy: -72.736 tors. eta vs tors. theta energy: 11.455 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: 94 Temperature: 0.900000 Total energy: -2819.163084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.163084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.163084 (E_RNA) where: Base-Base interactions energy: -1997.862 where: short stacking energy: -849.432 Base-Backbone interact. energy: -5.484 local terms energy: -815.816957 where: bonds (distance) C4'-P energy: -152.010 bonds (distance) P-C4' energy: -157.840 flat angles C4'-P-C4' energy: -175.322 flat angles P-C4'-P energy: -107.085 tors. eta vs tors. theta energy: -223.560 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: 2, replica: 10 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2671.714750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.714750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.714750 (E_RNA) where: Base-Base interactions energy: -1858.600 where: short stacking energy: -801.162 Base-Backbone interact. energy: -4.967 local terms energy: -808.147803 where: bonds (distance) C4'-P energy: -149.067 bonds (distance) P-C4' energy: -155.243 flat angles C4'-P-C4' energy: -181.289 flat angles P-C4'-P energy: -114.037 tors. eta vs tors. theta energy: -208.511 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: 3, replica: 4 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -2503.321464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.321464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.321464 (E_RNA) where: Base-Base interactions energy: -1714.708 where: short stacking energy: -748.402 Base-Backbone interact. energy: -4.648 local terms energy: -783.964613 where: bonds (distance) C4'-P energy: -172.467 bonds (distance) P-C4' energy: -160.375 flat angles C4'-P-C4' energy: -163.033 flat angles P-C4'-P energy: -99.536 tors. eta vs tors. theta energy: -188.552 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: 4, replica: 7 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -2375.158183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.158183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.158183 (E_RNA) where: Base-Base interactions energy: -1608.978 where: short stacking energy: -694.713 Base-Backbone interact. energy: -4.744 local terms energy: -761.436574 where: bonds (distance) C4'-P energy: -149.178 bonds (distance) P-C4' energy: -156.648 flat angles C4'-P-C4' energy: -172.219 flat angles P-C4'-P energy: -99.689 tors. eta vs tors. theta energy: -183.703 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: 94 Temperature: 1.100000 Total energy: -2126.637191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.637191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.637191 (E_RNA) where: Base-Base interactions energy: -1473.686 where: short stacking energy: -657.486 Base-Backbone interact. energy: -2.008 local terms energy: -650.943426 where: bonds (distance) C4'-P energy: -114.001 bonds (distance) P-C4' energy: -137.027 flat angles C4'-P-C4' energy: -150.990 flat angles P-C4'-P energy: -89.415 tors. eta vs tors. theta energy: -159.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -2099.912652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.912652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.912652 (E_RNA) where: Base-Base interactions energy: -1418.982 where: short stacking energy: -619.901 Base-Backbone interact. energy: 0.288 local terms energy: -681.219083 where: bonds (distance) C4'-P energy: -130.793 bonds (distance) P-C4' energy: -131.989 flat angles C4'-P-C4' energy: -167.198 flat angles P-C4'-P energy: -84.630 tors. eta vs tors. theta energy: -166.609 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: 2 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1885.830305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.830305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.830305 (E_RNA) where: Base-Base interactions energy: -1232.979 where: short stacking energy: -554.797 Base-Backbone interact. energy: -0.425 local terms energy: -652.426285 where: bonds (distance) C4'-P energy: -132.284 bonds (distance) P-C4' energy: -157.553 flat angles C4'-P-C4' energy: -148.176 flat angles P-C4'-P energy: -99.294 tors. eta vs tors. theta energy: -115.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1465.324962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.324962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.324962 (E_RNA) where: Base-Base interactions energy: -905.573 where: short stacking energy: -433.095 Base-Backbone interact. energy: 0.810 local terms energy: -560.561381 where: bonds (distance) C4'-P energy: -124.522 bonds (distance) P-C4' energy: -140.584 flat angles C4'-P-C4' energy: -134.867 flat angles P-C4'-P energy: -85.745 tors. eta vs tors. theta energy: -74.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -1089.998043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.998043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.998043 (E_RNA) where: Base-Base interactions energy: -574.660 where: short stacking energy: -316.800 Base-Backbone interact. energy: -2.453 local terms energy: -512.884637 where: bonds (distance) C4'-P energy: -107.691 bonds (distance) P-C4' energy: -147.685 flat angles C4'-P-C4' energy: -137.084 flat angles P-C4'-P energy: -84.624 tors. eta vs tors. theta energy: -35.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -665.523570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.523570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.523570 (E_RNA) where: Base-Base interactions energy: -275.984 where: short stacking energy: -198.834 Base-Backbone interact. energy: -0.678 local terms energy: -388.862242 where: bonds (distance) C4'-P energy: -138.878 bonds (distance) P-C4' energy: -147.260 flat angles C4'-P-C4' energy: -103.150 flat angles P-C4'-P energy: -47.472 tors. eta vs tors. theta energy: 47.899 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: 1, replica: 8 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -2833.888982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.888982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.888982 (E_RNA) where: Base-Base interactions energy: -1981.560 where: short stacking energy: -828.873 Base-Backbone interact. energy: -4.412 local terms energy: -847.916711 where: bonds (distance) C4'-P energy: -160.550 bonds (distance) P-C4' energy: -147.701 flat angles C4'-P-C4' energy: -182.423 flat angles P-C4'-P energy: -119.201 tors. eta vs tors. theta energy: -238.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -2582.358327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.358327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.358327 (E_RNA) where: Base-Base interactions energy: -1784.522 where: short stacking energy: -780.153 Base-Backbone interact. energy: -0.389 local terms energy: -797.447075 where: bonds (distance) C4'-P energy: -164.829 bonds (distance) P-C4' energy: -156.314 flat angles C4'-P-C4' energy: -172.095 flat angles P-C4'-P energy: -107.233 tors. eta vs tors. theta energy: -196.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -2483.466236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.466236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.466236 (E_RNA) where: Base-Base interactions energy: -1711.840 where: short stacking energy: -715.992 Base-Backbone interact. energy: -1.920 local terms energy: -769.705762 where: bonds (distance) C4'-P energy: -148.085 bonds (distance) P-C4' energy: -156.132 flat angles C4'-P-C4' energy: -174.293 flat angles P-C4'-P energy: -107.358 tors. eta vs tors. theta energy: -183.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -2343.109661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.109661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.109661 (E_RNA) where: Base-Base interactions energy: -1572.281 where: short stacking energy: -710.675 Base-Backbone interact. energy: -3.718 local terms energy: -767.110679 where: bonds (distance) C4'-P energy: -135.000 bonds (distance) P-C4' energy: -163.898 flat angles C4'-P-C4' energy: -171.391 flat angles P-C4'-P energy: -105.640 tors. eta vs tors. theta energy: -191.182 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: 95 Temperature: 1.100000 Total energy: -2116.116972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.116972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.116972 (E_RNA) where: Base-Base interactions energy: -1431.146 where: short stacking energy: -657.156 Base-Backbone interact. energy: -2.424 local terms energy: -682.547688 where: bonds (distance) C4'-P energy: -115.724 bonds (distance) P-C4' energy: -162.121 flat angles C4'-P-C4' energy: -160.057 flat angles P-C4'-P energy: -91.682 tors. eta vs tors. theta energy: -152.963 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: 6, replica: 5 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -2111.670566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.670566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.670566 (E_RNA) where: Base-Base interactions energy: -1468.643 where: short stacking energy: -634.044 Base-Backbone interact. energy: -1.407 local terms energy: -641.621003 where: bonds (distance) C4'-P energy: -129.783 bonds (distance) P-C4' energy: -132.958 flat angles C4'-P-C4' energy: -142.491 flat angles P-C4'-P energy: -87.877 tors. eta vs tors. theta energy: -148.513 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: 2 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1833.492322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.492322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.492322 (E_RNA) where: Base-Base interactions energy: -1219.231 where: short stacking energy: -529.270 Base-Backbone interact. energy: 4.838 local terms energy: -619.099617 where: bonds (distance) C4'-P energy: -137.218 bonds (distance) P-C4' energy: -151.467 flat angles C4'-P-C4' energy: -151.725 flat angles P-C4'-P energy: -76.208 tors. eta vs tors. theta energy: -102.482 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: 95 Temperature: 1.250000 Total energy: -1585.474947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.474947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.474947 (E_RNA) where: Base-Base interactions energy: -999.533 where: short stacking energy: -454.252 Base-Backbone interact. energy: -1.653 local terms energy: -584.288816 where: bonds (distance) C4'-P energy: -130.951 bonds (distance) P-C4' energy: -140.344 flat angles C4'-P-C4' energy: -140.125 flat angles P-C4'-P energy: -86.127 tors. eta vs tors. theta energy: -86.742 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: 3 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -1163.258667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.258667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.258667 (E_RNA) where: Base-Base interactions energy: -644.638 where: short stacking energy: -343.427 Base-Backbone interact. energy: 4.735 local terms energy: -523.355286 where: bonds (distance) C4'-P energy: -135.875 bonds (distance) P-C4' energy: -151.516 flat angles C4'-P-C4' energy: -136.741 flat angles P-C4'-P energy: -82.001 tors. eta vs tors. theta energy: -17.222 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: 1 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -664.820754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.820754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.820754 (E_RNA) where: Base-Base interactions energy: -254.032 where: short stacking energy: -188.261 Base-Backbone interact. energy: 2.776 local terms energy: -413.564708 where: bonds (distance) C4'-P energy: -121.255 bonds (distance) P-C4' energy: -125.778 flat angles C4'-P-C4' energy: -110.220 flat angles P-C4'-P energy: -78.081 tors. eta vs tors. theta energy: 21.769 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: 1, replica: 8 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -2851.536062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.536062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.536062 (E_RNA) where: Base-Base interactions energy: -1974.495 where: short stacking energy: -833.057 Base-Backbone interact. energy: -4.012 local terms energy: -873.029012 where: bonds (distance) C4'-P energy: -158.947 bonds (distance) P-C4' energy: -167.090 flat angles C4'-P-C4' energy: -179.300 flat angles P-C4'-P energy: -128.319 tors. eta vs tors. theta energy: -239.373 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: 2, replica: 10 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -2599.695611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.695611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.695611 (E_RNA) where: Base-Base interactions energy: -1793.418 where: short stacking energy: -763.264 Base-Backbone interact. energy: -2.226 local terms energy: -804.051499 where: bonds (distance) C4'-P energy: -160.573 bonds (distance) P-C4' energy: -163.397 flat angles C4'-P-C4' energy: -172.440 flat angles P-C4'-P energy: -113.556 tors. eta vs tors. theta energy: -194.085 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: 3, replica: 4 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -2516.044048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.044048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.044048 (E_RNA) where: Base-Base interactions energy: -1752.693 where: short stacking energy: -749.286 Base-Backbone interact. energy: -2.221 local terms energy: -761.129759 where: bonds (distance) C4'-P energy: -134.321 bonds (distance) P-C4' energy: -159.421 flat angles C4'-P-C4' energy: -165.774 flat angles P-C4'-P energy: -102.701 tors. eta vs tors. theta energy: -198.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -2369.297545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.297545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.297545 (E_RNA) where: Base-Base interactions energy: -1618.973 where: short stacking energy: -708.341 Base-Backbone interact. energy: -0.698 local terms energy: -749.626675 where: bonds (distance) C4'-P energy: -149.454 bonds (distance) P-C4' energy: -158.981 flat angles C4'-P-C4' energy: -158.167 flat angles P-C4'-P energy: -105.559 tors. eta vs tors. theta energy: -177.466 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: 9 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -2168.263670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.263670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.263670 (E_RNA) where: Base-Base interactions energy: -1457.652 where: short stacking energy: -649.684 Base-Backbone interact. energy: -4.254 local terms energy: -706.357071 where: bonds (distance) C4'-P energy: -126.879 bonds (distance) P-C4' energy: -148.511 flat angles C4'-P-C4' energy: -171.155 flat angles P-C4'-P energy: -97.639 tors. eta vs tors. theta energy: -162.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -2128.520078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.520078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.520078 (E_RNA) where: Base-Base interactions energy: -1425.110 where: short stacking energy: -609.772 Base-Backbone interact. energy: 3.497 local terms energy: -706.907844 where: bonds (distance) C4'-P energy: -138.777 bonds (distance) P-C4' energy: -143.850 flat angles C4'-P-C4' energy: -164.048 flat angles P-C4'-P energy: -95.444 tors. eta vs tors. theta energy: -164.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1855.460847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.460847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.460847 (E_RNA) where: Base-Base interactions energy: -1245.747 where: short stacking energy: -542.140 Base-Backbone interact. energy: -0.014 local terms energy: -609.699040 where: bonds (distance) C4'-P energy: -126.500 bonds (distance) P-C4' energy: -131.630 flat angles C4'-P-C4' energy: -157.172 flat angles P-C4'-P energy: -90.549 tors. eta vs tors. theta energy: -103.849 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: 8, replica: 6 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1595.388442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.388442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.388442 (E_RNA) where: Base-Base interactions energy: -1059.647 where: short stacking energy: -459.197 Base-Backbone interact. energy: 3.764 local terms energy: -539.505355 where: bonds (distance) C4'-P energy: -104.709 bonds (distance) P-C4' energy: -130.701 flat angles C4'-P-C4' energy: -144.790 flat angles P-C4'-P energy: -75.759 tors. eta vs tors. theta energy: -83.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -1212.492212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.492212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.492212 (E_RNA) where: Base-Base interactions energy: -669.971 where: short stacking energy: -352.431 Base-Backbone interact. energy: 0.758 local terms energy: -543.278879 where: bonds (distance) C4'-P energy: -138.019 bonds (distance) P-C4' energy: -146.463 flat angles C4'-P-C4' energy: -117.560 flat angles P-C4'-P energy: -89.349 tors. eta vs tors. theta energy: -51.888 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: 1 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -710.156674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.156674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.156674 (E_RNA) where: Base-Base interactions energy: -280.385 where: short stacking energy: -190.520 Base-Backbone interact. energy: 2.226 local terms energy: -431.997833 where: bonds (distance) C4'-P energy: -130.116 bonds (distance) P-C4' energy: -151.799 flat angles C4'-P-C4' energy: -102.006 flat angles P-C4'-P energy: -64.366 tors. eta vs tors. theta energy: 16.290 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: 1, replica: 8 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -2816.171996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.171996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.171996 (E_RNA) where: Base-Base interactions energy: -1967.001 where: short stacking energy: -840.884 Base-Backbone interact. energy: -0.580 local terms energy: -848.591439 where: bonds (distance) C4'-P energy: -163.525 bonds (distance) P-C4' energy: -168.853 flat angles C4'-P-C4' energy: -170.996 flat angles P-C4'-P energy: -107.547 tors. eta vs tors. theta energy: -237.671 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: 2, replica: 4 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -2595.359880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.359880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.359880 (E_RNA) where: Base-Base interactions energy: -1771.436 where: short stacking energy: -759.323 Base-Backbone interact. energy: -1.100 local terms energy: -822.823735 where: bonds (distance) C4'-P energy: -159.421 bonds (distance) P-C4' energy: -141.099 flat angles C4'-P-C4' energy: -190.035 flat angles P-C4'-P energy: -117.834 tors. eta vs tors. theta energy: -214.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -2483.263221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.263221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.263221 (E_RNA) where: Base-Base interactions energy: -1740.212 where: short stacking energy: -731.029 Base-Backbone interact. energy: -5.779 local terms energy: -737.271942 where: bonds (distance) C4'-P energy: -128.854 bonds (distance) P-C4' energy: -159.870 flat angles C4'-P-C4' energy: -155.154 flat angles P-C4'-P energy: -106.857 tors. eta vs tors. theta energy: -186.537 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: 4, replica: 7 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -2343.823918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.823918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.823918 (E_RNA) where: Base-Base interactions energy: -1617.336 where: short stacking energy: -715.839 Base-Backbone interact. energy: -0.840 local terms energy: -725.647905 where: bonds (distance) C4'-P energy: -125.115 bonds (distance) P-C4' energy: -117.539 flat angles C4'-P-C4' energy: -188.543 flat angles P-C4'-P energy: -101.120 tors. eta vs tors. theta energy: -193.331 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: 5, replica: 9 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -2146.092759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.092759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.092759 (E_RNA) where: Base-Base interactions energy: -1480.879 where: short stacking energy: -626.260 Base-Backbone interact. energy: 3.212 local terms energy: -668.425797 where: bonds (distance) C4'-P energy: -133.061 bonds (distance) P-C4' energy: -127.000 flat angles C4'-P-C4' energy: -158.292 flat angles P-C4'-P energy: -93.248 tors. eta vs tors. theta energy: -156.824 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: 6, replica: 5 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -2139.078574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.078574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.078574 (E_RNA) where: Base-Base interactions energy: -1432.711 where: short stacking energy: -640.856 Base-Backbone interact. energy: 0.291 local terms energy: -706.657816 where: bonds (distance) C4'-P energy: -143.819 bonds (distance) P-C4' energy: -144.918 flat angles C4'-P-C4' energy: -146.812 flat angles P-C4'-P energy: -95.677 tors. eta vs tors. theta energy: -175.432 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: 7, replica: 2 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1889.471339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.471339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.471339 (E_RNA) where: Base-Base interactions energy: -1260.330 where: short stacking energy: -581.333 Base-Backbone interact. energy: 2.402 local terms energy: -631.543968 where: bonds (distance) C4'-P energy: -135.712 bonds (distance) P-C4' energy: -135.999 flat angles C4'-P-C4' energy: -143.345 flat angles P-C4'-P energy: -87.681 tors. eta vs tors. theta energy: -128.807 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: 6 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1610.954513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.954513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.954513 (E_RNA) where: Base-Base interactions energy: -1024.308 where: short stacking energy: -476.905 Base-Backbone interact. energy: 3.521 local terms energy: -590.167363 where: bonds (distance) C4'-P energy: -124.460 bonds (distance) P-C4' energy: -151.838 flat angles C4'-P-C4' energy: -138.544 flat angles P-C4'-P energy: -80.799 tors. eta vs tors. theta energy: -94.527 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: 3 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -1225.383663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.383663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.383663 (E_RNA) where: Base-Base interactions energy: -699.013 where: short stacking energy: -369.861 Base-Backbone interact. energy: -2.998 local terms energy: -523.373090 where: bonds (distance) C4'-P energy: -120.668 bonds (distance) P-C4' energy: -117.882 flat angles C4'-P-C4' energy: -136.220 flat angles P-C4'-P energy: -94.568 tors. eta vs tors. theta energy: -54.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -696.700575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.700575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.700575 (E_RNA) where: Base-Base interactions energy: -306.312 where: short stacking energy: -199.772 Base-Backbone interact. energy: 0.407 local terms energy: -390.795120 where: bonds (distance) C4'-P energy: -115.664 bonds (distance) P-C4' energy: -130.647 flat angles C4'-P-C4' energy: -109.549 flat angles P-C4'-P energy: -57.527 tors. eta vs tors. theta energy: 22.592 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: 1, replica: 8 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -2826.104577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.104577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.104577 (E_RNA) where: Base-Base interactions energy: -1951.596 where: short stacking energy: -832.296 Base-Backbone interact. energy: -4.102 local terms energy: -870.406712 where: bonds (distance) C4'-P energy: -156.371 bonds (distance) P-C4' energy: -163.810 flat angles C4'-P-C4' energy: -183.930 flat angles P-C4'-P energy: -121.840 tors. eta vs tors. theta energy: -244.456 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: 2, replica: 4 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -2614.037435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.037435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.037435 (E_RNA) where: Base-Base interactions energy: -1799.994 where: short stacking energy: -805.753 Base-Backbone interact. energy: -1.248 local terms energy: -812.795562 where: bonds (distance) C4'-P energy: -136.091 bonds (distance) P-C4' energy: -174.603 flat angles C4'-P-C4' energy: -168.178 flat angles P-C4'-P energy: -117.821 tors. eta vs tors. theta energy: -216.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -2476.755161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.755161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.755161 (E_RNA) where: Base-Base interactions energy: -1709.455 where: short stacking energy: -696.090 Base-Backbone interact. energy: -1.000 local terms energy: -766.300908 where: bonds (distance) C4'-P energy: -139.238 bonds (distance) P-C4' energy: -155.034 flat angles C4'-P-C4' energy: -181.361 flat angles P-C4'-P energy: -104.878 tors. eta vs tors. theta energy: -185.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -2338.086795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.086795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.086795 (E_RNA) where: Base-Base interactions energy: -1592.665 where: short stacking energy: -687.963 Base-Backbone interact. energy: -1.551 local terms energy: -743.871036 where: bonds (distance) C4'-P energy: -153.368 bonds (distance) P-C4' energy: -137.753 flat angles C4'-P-C4' energy: -169.739 flat angles P-C4'-P energy: -96.236 tors. eta vs tors. theta energy: -186.774 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: 5, replica: 9 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -2167.994497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.994497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.994497 (E_RNA) where: Base-Base interactions energy: -1491.065 where: short stacking energy: -660.037 Base-Backbone interact. energy: -5.046 local terms energy: -671.883015 where: bonds (distance) C4'-P energy: -138.995 bonds (distance) P-C4' energy: -137.885 flat angles C4'-P-C4' energy: -145.017 flat angles P-C4'-P energy: -92.968 tors. eta vs tors. theta energy: -157.018 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: 5 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -2104.091297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.091297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.091297 (E_RNA) where: Base-Base interactions energy: -1402.261 where: short stacking energy: -609.869 Base-Backbone interact. energy: -4.892 local terms energy: -696.938815 where: bonds (distance) C4'-P energy: -118.982 bonds (distance) P-C4' energy: -145.616 flat angles C4'-P-C4' energy: -148.637 flat angles P-C4'-P energy: -123.007 tors. eta vs tors. theta energy: -160.696 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: 7, replica: 2 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1872.012932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.012932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.012932 (E_RNA) where: Base-Base interactions energy: -1241.758 where: short stacking energy: -529.225 Base-Backbone interact. energy: 3.529 local terms energy: -633.783618 where: bonds (distance) C4'-P energy: -137.027 bonds (distance) P-C4' energy: -142.872 flat angles C4'-P-C4' energy: -146.431 flat angles P-C4'-P energy: -91.883 tors. eta vs tors. theta energy: -115.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1737.447473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.447473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.447473 (E_RNA) where: Base-Base interactions energy: -1170.469 where: short stacking energy: -497.048 Base-Backbone interact. energy: -1.455 local terms energy: -565.523080 where: bonds (distance) C4'-P energy: -97.471 bonds (distance) P-C4' energy: -138.208 flat angles C4'-P-C4' energy: -149.175 flat angles P-C4'-P energy: -79.005 tors. eta vs tors. theta energy: -101.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -1119.002789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.002789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.002789 (E_RNA) where: Base-Base interactions energy: -641.068 where: short stacking energy: -333.352 Base-Backbone interact. energy: -2.616 local terms energy: -475.318355 where: bonds (distance) C4'-P energy: -117.020 bonds (distance) P-C4' energy: -124.341 flat angles C4'-P-C4' energy: -153.895 flat angles P-C4'-P energy: -58.922 tors. eta vs tors. theta energy: -21.140 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: 1 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -716.708033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.708033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.708033 (E_RNA) where: Base-Base interactions energy: -341.757 where: short stacking energy: -253.187 Base-Backbone interact. energy: 0.652 local terms energy: -375.603250 where: bonds (distance) C4'-P energy: -108.474 bonds (distance) P-C4' energy: -111.681 flat angles C4'-P-C4' energy: -85.847 flat angles P-C4'-P energy: -59.624 tors. eta vs tors. theta energy: -9.978 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: 8 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -2815.476318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.476318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.476318 (E_RNA) where: Base-Base interactions energy: -1966.183 where: short stacking energy: -839.219 Base-Backbone interact. energy: 2.004 local terms energy: -851.296923 where: bonds (distance) C4'-P energy: -156.122 bonds (distance) P-C4' energy: -163.926 flat angles C4'-P-C4' energy: -173.652 flat angles P-C4'-P energy: -121.293 tors. eta vs tors. theta energy: -236.303 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: 99 Temperature: 0.950000 Total energy: -2585.678640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.678640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.678640 (E_RNA) where: Base-Base interactions energy: -1759.533 where: short stacking energy: -763.408 Base-Backbone interact. energy: -0.413 local terms energy: -825.733171 where: bonds (distance) C4'-P energy: -156.301 bonds (distance) P-C4' energy: -171.662 flat angles C4'-P-C4' energy: -183.731 flat angles P-C4'-P energy: -109.884 tors. eta vs tors. theta energy: -204.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -2512.310409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.310409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.310409 (E_RNA) where: Base-Base interactions energy: -1718.235 where: short stacking energy: -772.837 Base-Backbone interact. energy: 2.218 local terms energy: -796.293061 where: bonds (distance) C4'-P energy: -150.738 bonds (distance) P-C4' energy: -148.782 flat angles C4'-P-C4' energy: -173.535 flat angles P-C4'-P energy: -120.987 tors. eta vs tors. theta energy: -202.252 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: 7 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -2370.981913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.981913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.981913 (E_RNA) where: Base-Base interactions energy: -1615.422 where: short stacking energy: -735.249 Base-Backbone interact. energy: 2.043 local terms energy: -757.602746 where: bonds (distance) C4'-P energy: -168.087 bonds (distance) P-C4' energy: -144.301 flat angles C4'-P-C4' energy: -149.767 flat angles P-C4'-P energy: -103.421 tors. eta vs tors. theta energy: -192.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -2167.174715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.174715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.174715 (E_RNA) where: Base-Base interactions energy: -1493.378 where: short stacking energy: -656.242 Base-Backbone interact. energy: -2.805 local terms energy: -670.991240 where: bonds (distance) C4'-P energy: -109.693 bonds (distance) P-C4' energy: -155.847 flat angles C4'-P-C4' energy: -152.439 flat angles P-C4'-P energy: -98.641 tors. eta vs tors. theta energy: -154.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -2105.855078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.855078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.855078 (E_RNA) where: Base-Base interactions energy: -1393.860 where: short stacking energy: -604.931 Base-Backbone interact. energy: -1.957 local terms energy: -710.037969 where: bonds (distance) C4'-P energy: -148.283 bonds (distance) P-C4' energy: -153.236 flat angles C4'-P-C4' energy: -151.981 flat angles P-C4'-P energy: -101.348 tors. eta vs tors. theta energy: -155.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1798.520559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.520559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.520559 (E_RNA) where: Base-Base interactions energy: -1184.565 where: short stacking energy: -504.684 Base-Backbone interact. energy: 0.970 local terms energy: -614.924945 where: bonds (distance) C4'-P energy: -124.438 bonds (distance) P-C4' energy: -144.792 flat angles C4'-P-C4' energy: -158.246 flat angles P-C4'-P energy: -86.084 tors. eta vs tors. theta energy: -101.365 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: 8, replica: 6 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1757.766388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.766388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.766388 (E_RNA) where: Base-Base interactions energy: -1136.544 where: short stacking energy: -472.707 Base-Backbone interact. energy: -0.166 local terms energy: -621.056610 where: bonds (distance) C4'-P energy: -142.526 bonds (distance) P-C4' energy: -145.633 flat angles C4'-P-C4' energy: -128.512 flat angles P-C4'-P energy: -96.538 tors. eta vs tors. theta energy: -107.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -1118.780017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.780017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.780017 (E_RNA) where: Base-Base interactions energy: -646.176 where: short stacking energy: -314.500 Base-Backbone interact. energy: -5.798 local terms energy: -466.806480 where: bonds (distance) C4'-P energy: -115.506 bonds (distance) P-C4' energy: -141.727 flat angles C4'-P-C4' energy: -124.427 flat angles P-C4'-P energy: -61.666 tors. eta vs tors. theta energy: -23.480 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: 1 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -766.658786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.658786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.658786 (E_RNA) where: Base-Base interactions energy: -354.417 where: short stacking energy: -240.169 Base-Backbone interact. energy: 2.458 local terms energy: -414.699603 where: bonds (distance) C4'-P energy: -134.643 bonds (distance) P-C4' energy: -125.217 flat angles C4'-P-C4' energy: -101.524 flat angles P-C4'-P energy: -68.935 tors. eta vs tors. theta energy: 15.618 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: 8 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -2824.109765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.109765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.109765 (E_RNA) where: Base-Base interactions energy: -1980.922 where: short stacking energy: -846.488 Base-Backbone interact. energy: -0.305 local terms energy: -842.883245 where: bonds (distance) C4'-P energy: -151.998 bonds (distance) P-C4' energy: -160.560 flat angles C4'-P-C4' energy: -177.435 flat angles P-C4'-P energy: -114.487 tors. eta vs tors. theta energy: -238.403 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: 2, replica: 4 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2650.379907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.379907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.379907 (E_RNA) where: Base-Base interactions energy: -1803.712 where: short stacking energy: -772.125 Base-Backbone interact. energy: -5.136 local terms energy: -841.532668 where: bonds (distance) C4'-P energy: -157.654 bonds (distance) P-C4' energy: -172.915 flat angles C4'-P-C4' energy: -187.653 flat angles P-C4'-P energy: -108.104 tors. eta vs tors. theta energy: -215.206 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: 3, replica: 10 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -2513.379495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.379495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.379495 (E_RNA) where: Base-Base interactions energy: -1715.601 where: short stacking energy: -751.338 Base-Backbone interact. energy: -1.308 local terms energy: -796.470724 where: bonds (distance) C4'-P energy: -149.298 bonds (distance) P-C4' energy: -141.010 flat angles C4'-P-C4' energy: -190.911 flat angles P-C4'-P energy: -110.498 tors. eta vs tors. theta energy: -204.755 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: 4, replica: 7 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -2360.361762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.361762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.361762 (E_RNA) where: Base-Base interactions energy: -1596.504 where: short stacking energy: -734.537 Base-Backbone interact. energy: 0.767 local terms energy: -764.625031 where: bonds (distance) C4'-P energy: -132.678 bonds (distance) P-C4' energy: -164.507 flat angles C4'-P-C4' energy: -167.720 flat angles P-C4'-P energy: -120.788 tors. eta vs tors. theta energy: -178.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -2109.003519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.003519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.003519 (E_RNA) where: Base-Base interactions energy: -1419.866 where: short stacking energy: -594.225 Base-Backbone interact. energy: -6.320 local terms energy: -682.817563 where: bonds (distance) C4'-P energy: -156.202 bonds (distance) P-C4' energy: -156.121 flat angles C4'-P-C4' energy: -134.492 flat angles P-C4'-P energy: -101.811 tors. eta vs tors. theta energy: -134.191 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: 6, replica: 5 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -2154.252514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.252514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.252514 (E_RNA) where: Base-Base interactions energy: -1447.564 where: short stacking energy: -642.159 Base-Backbone interact. energy: -0.950 local terms energy: -705.738301 where: bonds (distance) C4'-P energy: -126.030 bonds (distance) P-C4' energy: -167.126 flat angles C4'-P-C4' energy: -161.446 flat angles P-C4'-P energy: -83.464 tors. eta vs tors. theta energy: -167.673 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: 2 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1874.522080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.522080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.522080 (E_RNA) where: Base-Base interactions energy: -1266.208 where: short stacking energy: -554.482 Base-Backbone interact. energy: -5.027 local terms energy: -603.286893 where: bonds (distance) C4'-P energy: -125.786 bonds (distance) P-C4' energy: -140.474 flat angles C4'-P-C4' energy: -148.656 flat angles P-C4'-P energy: -79.098 tors. eta vs tors. theta energy: -109.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1742.235752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.235752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.235752 (E_RNA) where: Base-Base interactions energy: -1161.421 where: short stacking energy: -497.221 Base-Backbone interact. energy: -4.089 local terms energy: -576.725683 where: bonds (distance) C4'-P energy: -124.369 bonds (distance) P-C4' energy: -136.501 flat angles C4'-P-C4' energy: -125.711 flat angles P-C4'-P energy: -80.724 tors. eta vs tors. theta energy: -109.420 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: 3 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -1096.386269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.386269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.386269 (E_RNA) where: Base-Base interactions energy: -625.269 where: short stacking energy: -332.295 Base-Backbone interact. energy: -2.393 local terms energy: -468.724036 where: bonds (distance) C4'-P energy: -126.865 bonds (distance) P-C4' energy: -146.228 flat angles C4'-P-C4' energy: -132.073 flat angles P-C4'-P energy: -39.070 tors. eta vs tors. theta energy: -24.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -735.032817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.032817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.032817 (E_RNA) where: Base-Base interactions energy: -322.422 where: short stacking energy: -232.221 Base-Backbone interact. energy: -2.964 local terms energy: -409.646814 where: bonds (distance) C4'-P energy: -137.226 bonds (distance) P-C4' energy: -118.230 flat angles C4'-P-C4' energy: -113.341 flat angles P-C4'-P energy: -50.021 tors. eta vs tors. theta energy: 9.171 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: 1, replica: 8 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -2822.991289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.991289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.991289 (E_RNA) where: Base-Base interactions energy: -1966.276 where: short stacking energy: -839.000 Base-Backbone interact. energy: -2.330 local terms energy: -854.385658 where: bonds (distance) C4'-P energy: -155.825 bonds (distance) P-C4' energy: -163.422 flat angles C4'-P-C4' energy: -179.673 flat angles P-C4'-P energy: -120.131 tors. eta vs tors. theta energy: -235.334 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: 4 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2600.547369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.547369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.547369 (E_RNA) where: Base-Base interactions energy: -1793.347 where: short stacking energy: -772.800 Base-Backbone interact. energy: 3.114 local terms energy: -810.315047 where: bonds (distance) C4'-P energy: -157.382 bonds (distance) P-C4' energy: -155.920 flat angles C4'-P-C4' energy: -180.214 flat angles P-C4'-P energy: -110.441 tors. eta vs tors. theta energy: -206.358 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: 10 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -2498.211698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.211698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.211698 (E_RNA) where: Base-Base interactions energy: -1746.684 where: short stacking energy: -736.498 Base-Backbone interact. energy: -1.199 local terms energy: -750.328247 where: bonds (distance) C4'-P energy: -141.210 bonds (distance) P-C4' energy: -155.646 flat angles C4'-P-C4' energy: -152.250 flat angles P-C4'-P energy: -95.389 tors. eta vs tors. theta energy: -205.833 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: 4, replica: 7 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -2367.186841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.186841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.186841 (E_RNA) where: Base-Base interactions energy: -1582.959 where: short stacking energy: -688.667 Base-Backbone interact. energy: -2.405 local terms energy: -781.822540 where: bonds (distance) C4'-P energy: -160.968 bonds (distance) P-C4' energy: -161.270 flat angles C4'-P-C4' energy: -170.498 flat angles P-C4'-P energy: -107.550 tors. eta vs tors. theta energy: -181.536 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: 9 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -2144.539003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.539003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.539003 (E_RNA) where: Base-Base interactions energy: -1441.764 where: short stacking energy: -636.460 Base-Backbone interact. energy: 1.159 local terms energy: -703.933433 where: bonds (distance) C4'-P energy: -130.419 bonds (distance) P-C4' energy: -146.219 flat angles C4'-P-C4' energy: -166.814 flat angles P-C4'-P energy: -113.900 tors. eta vs tors. theta energy: -146.581 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: 5 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -2149.907480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.907480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.907480 (E_RNA) where: Base-Base interactions energy: -1456.220 where: short stacking energy: -640.166 Base-Backbone interact. energy: 1.677 local terms energy: -695.364412 where: bonds (distance) C4'-P energy: -126.364 bonds (distance) P-C4' energy: -157.242 flat angles C4'-P-C4' energy: -162.174 flat angles P-C4'-P energy: -86.034 tors. eta vs tors. theta energy: -163.551 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: 7, replica: 2 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1767.452242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.452242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.452242 (E_RNA) where: Base-Base interactions energy: -1174.848 where: short stacking energy: -515.745 Base-Backbone interact. energy: 3.943 local terms energy: -596.546744 where: bonds (distance) C4'-P energy: -113.048 bonds (distance) P-C4' energy: -148.317 flat angles C4'-P-C4' energy: -141.448 flat angles P-C4'-P energy: -75.519 tors. eta vs tors. theta energy: -118.215 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: 6 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1804.742123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.742123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.742123 (E_RNA) where: Base-Base interactions energy: -1186.657 where: short stacking energy: -547.210 Base-Backbone interact. energy: -1.984 local terms energy: -616.100442 where: bonds (distance) C4'-P energy: -126.229 bonds (distance) P-C4' energy: -135.904 flat angles C4'-P-C4' energy: -148.652 flat angles P-C4'-P energy: -78.601 tors. eta vs tors. theta energy: -126.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -1057.983222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.983222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.983222 (E_RNA) where: Base-Base interactions energy: -586.762 where: short stacking energy: -319.593 Base-Backbone interact. energy: 3.233 local terms energy: -474.454122 where: bonds (distance) C4'-P energy: -118.972 bonds (distance) P-C4' energy: -113.286 flat angles C4'-P-C4' energy: -147.678 flat angles P-C4'-P energy: -64.580 tors. eta vs tors. theta energy: -29.939 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: 10, replica: 1 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -689.485443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.485443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.485443 (E_RNA) where: Base-Base interactions energy: -289.731 where: short stacking energy: -212.096 Base-Backbone interact. energy: 4.877 local terms energy: -404.632039 where: bonds (distance) C4'-P energy: -135.133 bonds (distance) P-C4' energy: -132.519 flat angles C4'-P-C4' energy: -101.423 flat angles P-C4'-P energy: -49.905 tors. eta vs tors. theta energy: 14.348 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: 1, replica: 8 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -2812.808668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.808668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.808668 (E_RNA) where: Base-Base interactions energy: -1966.208 where: short stacking energy: -823.897 Base-Backbone interact. energy: -3.813 local terms energy: -842.788155 where: bonds (distance) C4'-P energy: -143.970 bonds (distance) P-C4' energy: -153.609 flat angles C4'-P-C4' energy: -178.639 flat angles P-C4'-P energy: -126.481 tors. eta vs tors. theta energy: -240.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -2555.244347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.244347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.244347 (E_RNA) where: Base-Base interactions energy: -1763.931 where: short stacking energy: -741.218 Base-Backbone interact. energy: -7.956 local terms energy: -783.356819 where: bonds (distance) C4'-P energy: -141.397 bonds (distance) P-C4' energy: -170.820 flat angles C4'-P-C4' energy: -163.700 flat angles P-C4'-P energy: -106.110 tors. eta vs tors. theta energy: -201.329 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: 10 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -2511.109663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.109663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.109663 (E_RNA) where: Base-Base interactions energy: -1750.096 where: short stacking energy: -728.411 Base-Backbone interact. energy: 0.091 local terms energy: -761.105238 where: bonds (distance) C4'-P energy: -125.395 bonds (distance) P-C4' energy: -156.994 flat angles C4'-P-C4' energy: -172.424 flat angles P-C4'-P energy: -103.685 tors. eta vs tors. theta energy: -202.608 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: 7 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -2411.294849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.294849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.294849 (E_RNA) where: Base-Base interactions energy: -1627.328 where: short stacking energy: -745.129 Base-Backbone interact. energy: -0.479 local terms energy: -783.487460 where: bonds (distance) C4'-P energy: -155.086 bonds (distance) P-C4' energy: -160.284 flat angles C4'-P-C4' energy: -162.309 flat angles P-C4'-P energy: -106.669 tors. eta vs tors. theta energy: -199.138 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: 9 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -2131.403306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.403306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.403306 (E_RNA) where: Base-Base interactions energy: -1408.198 where: short stacking energy: -620.568 Base-Backbone interact. energy: 4.660 local terms energy: -727.864988 where: bonds (distance) C4'-P energy: -142.988 bonds (distance) P-C4' energy: -146.154 flat angles C4'-P-C4' energy: -173.056 flat angles P-C4'-P energy: -115.917 tors. eta vs tors. theta energy: -149.750 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: 6, replica: 5 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -2090.139871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.139871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.139871 (E_RNA) where: Base-Base interactions energy: -1435.388 where: short stacking energy: -606.025 Base-Backbone interact. energy: -3.976 local terms energy: -650.775490 where: bonds (distance) C4'-P energy: -134.467 bonds (distance) P-C4' energy: -124.567 flat angles C4'-P-C4' energy: -151.598 flat angles P-C4'-P energy: -81.480 tors. eta vs tors. theta energy: -158.664 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: 7, replica: 6 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1920.908489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.908489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.908489 (E_RNA) where: Base-Base interactions energy: -1277.899 where: short stacking energy: -566.282 Base-Backbone interact. energy: 3.535 local terms energy: -646.544473 where: bonds (distance) C4'-P energy: -134.935 bonds (distance) P-C4' energy: -137.743 flat angles C4'-P-C4' energy: -157.078 flat angles P-C4'-P energy: -90.917 tors. eta vs tors. theta energy: -125.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1662.469109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.469109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.469109 (E_RNA) where: Base-Base interactions energy: -1040.538 where: short stacking energy: -488.834 Base-Backbone interact. energy: -2.861 local terms energy: -619.069315 where: bonds (distance) C4'-P energy: -144.693 bonds (distance) P-C4' energy: -154.287 flat angles C4'-P-C4' energy: -125.302 flat angles P-C4'-P energy: -95.268 tors. eta vs tors. theta energy: -99.520 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: 3 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -1118.875681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.875681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.875681 (E_RNA) where: Base-Base interactions energy: -643.158 where: short stacking energy: -340.595 Base-Backbone interact. energy: 1.827 local terms energy: -477.543861 where: bonds (distance) C4'-P energy: -128.841 bonds (distance) P-C4' energy: -143.388 flat angles C4'-P-C4' energy: -114.005 flat angles P-C4'-P energy: -76.216 tors. eta vs tors. theta energy: -15.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -728.554641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.554641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.554641 (E_RNA) where: Base-Base interactions energy: -323.074 where: short stacking energy: -217.906 Base-Backbone interact. energy: 2.306 local terms energy: -407.786439 where: bonds (distance) C4'-P energy: -134.669 bonds (distance) P-C4' energy: -131.593 flat angles C4'-P-C4' energy: -105.701 flat angles P-C4'-P energy: -49.356 tors. eta vs tors. theta energy: 13.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -2824.251401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.251401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.251401 (E_RNA) where: Base-Base interactions energy: -1947.587 where: short stacking energy: -835.153 Base-Backbone interact. energy: -5.353 local terms energy: -871.311197 where: bonds (distance) C4'-P energy: -152.389 bonds (distance) P-C4' energy: -170.999 flat angles C4'-P-C4' energy: -185.518 flat angles P-C4'-P energy: -122.386 tors. eta vs tors. theta energy: -240.019 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: 10 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2569.618896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.618896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.618896 (E_RNA) where: Base-Base interactions energy: -1758.032 where: short stacking energy: -774.949 Base-Backbone interact. energy: 2.132 local terms energy: -813.718853 where: bonds (distance) C4'-P energy: -149.399 bonds (distance) P-C4' energy: -154.010 flat angles C4'-P-C4' energy: -170.590 flat angles P-C4'-P energy: -121.287 tors. eta vs tors. theta energy: -218.433 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: 4 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -2501.110395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.110395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.110395 (E_RNA) where: Base-Base interactions energy: -1723.437 where: short stacking energy: -701.182 Base-Backbone interact. energy: -2.742 local terms energy: -774.931589 where: bonds (distance) C4'-P energy: -152.959 bonds (distance) P-C4' energy: -165.170 flat angles C4'-P-C4' energy: -184.878 flat angles P-C4'-P energy: -93.319 tors. eta vs tors. theta energy: -178.605 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: 4, replica: 7 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -2385.748335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.748335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.748335 (E_RNA) where: Base-Base interactions energy: -1585.692 where: short stacking energy: -708.138 Base-Backbone interact. energy: -6.791 local terms energy: -793.265377 where: bonds (distance) C4'-P energy: -162.997 bonds (distance) P-C4' energy: -153.981 flat angles C4'-P-C4' energy: -164.546 flat angles P-C4'-P energy: -109.559 tors. eta vs tors. theta energy: -202.183 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: 9 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -2151.781363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.781363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.781363 (E_RNA) where: Base-Base interactions energy: -1455.689 where: short stacking energy: -642.205 Base-Backbone interact. energy: -0.658 local terms energy: -695.434352 where: bonds (distance) C4'-P energy: -147.319 bonds (distance) P-C4' energy: -162.276 flat angles C4'-P-C4' energy: -140.133 flat angles P-C4'-P energy: -102.459 tors. eta vs tors. theta energy: -143.247 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: 5 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -2157.966662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.966662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.966662 (E_RNA) where: Base-Base interactions energy: -1465.288 where: short stacking energy: -655.519 Base-Backbone interact. energy: -2.809 local terms energy: -689.870410 where: bonds (distance) C4'-P energy: -128.861 bonds (distance) P-C4' energy: -155.261 flat angles C4'-P-C4' energy: -143.240 flat angles P-C4'-P energy: -85.259 tors. eta vs tors. theta energy: -177.250 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: 6 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1949.505340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.505340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.505340 (E_RNA) where: Base-Base interactions energy: -1299.411 where: short stacking energy: -613.259 Base-Backbone interact. energy: -0.416 local terms energy: -649.679078 where: bonds (distance) C4'-P energy: -131.045 bonds (distance) P-C4' energy: -124.654 flat angles C4'-P-C4' energy: -147.793 flat angles P-C4'-P energy: -101.432 tors. eta vs tors. theta energy: -144.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1671.545639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.545639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.545639 (E_RNA) where: Base-Base interactions energy: -1098.619 where: short stacking energy: -485.686 Base-Backbone interact. energy: -1.796 local terms energy: -571.130802 where: bonds (distance) C4'-P energy: -120.601 bonds (distance) P-C4' energy: -117.296 flat angles C4'-P-C4' energy: -157.273 flat angles P-C4'-P energy: -92.723 tors. eta vs tors. theta energy: -83.237 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: 3 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -1158.945799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.945799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.945799 (E_RNA) where: Base-Base interactions energy: -664.677 where: short stacking energy: -338.424 Base-Backbone interact. energy: -1.623 local terms energy: -492.645969 where: bonds (distance) C4'-P energy: -140.873 bonds (distance) P-C4' energy: -143.880 flat angles C4'-P-C4' energy: -123.979 flat angles P-C4'-P energy: -43.702 tors. eta vs tors. theta energy: -40.212 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: 10, replica: 1 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -738.575060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.575060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.575060 (E_RNA) where: Base-Base interactions energy: -322.793 where: short stacking energy: -220.779 Base-Backbone interact. energy: 0.740 local terms energy: -416.522646 where: bonds (distance) C4'-P energy: -114.748 bonds (distance) P-C4' energy: -143.109 flat angles C4'-P-C4' energy: -108.758 flat angles P-C4'-P energy: -62.795 tors. eta vs tors. theta energy: 12.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -2829.188013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.188013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.188013 (E_RNA) where: Base-Base interactions energy: -1938.001 where: short stacking energy: -820.358 Base-Backbone interact. energy: -4.726 local terms energy: -886.460525 where: bonds (distance) C4'-P energy: -153.196 bonds (distance) P-C4' energy: -176.087 flat angles C4'-P-C4' energy: -192.711 flat angles P-C4'-P energy: -129.223 tors. eta vs tors. theta energy: -235.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2609.964816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.964816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.964816 (E_RNA) where: Base-Base interactions energy: -1785.036 where: short stacking energy: -771.038 Base-Backbone interact. energy: -0.321 local terms energy: -824.608306 where: bonds (distance) C4'-P energy: -171.259 bonds (distance) P-C4' energy: -153.231 flat angles C4'-P-C4' energy: -174.806 flat angles P-C4'-P energy: -125.356 tors. eta vs tors. theta energy: -199.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -2587.155822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.155822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.155822 (E_RNA) where: Base-Base interactions energy: -1801.968 where: short stacking energy: -745.746 Base-Backbone interact. energy: 0.250 local terms energy: -785.438437 where: bonds (distance) C4'-P energy: -151.346 bonds (distance) P-C4' energy: -139.316 flat angles C4'-P-C4' energy: -182.599 flat angles P-C4'-P energy: -114.543 tors. eta vs tors. theta energy: -197.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -2422.927177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.927177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.927177 (E_RNA) where: Base-Base interactions energy: -1642.986 where: short stacking energy: -721.954 Base-Backbone interact. energy: 1.820 local terms energy: -781.760631 where: bonds (distance) C4'-P energy: -149.654 bonds (distance) P-C4' energy: -167.897 flat angles C4'-P-C4' energy: -170.669 flat angles P-C4'-P energy: -104.572 tors. eta vs tors. theta energy: -188.969 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: 5 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -2253.264922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.264922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.264922 (E_RNA) where: Base-Base interactions energy: -1515.544 where: short stacking energy: -676.960 Base-Backbone interact. energy: -4.476 local terms energy: -733.245407 where: bonds (distance) C4'-P energy: -154.264 bonds (distance) P-C4' energy: -143.816 flat angles C4'-P-C4' energy: -153.094 flat angles P-C4'-P energy: -102.348 tors. eta vs tors. theta energy: -179.724 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: 9 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -2085.002248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.002248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.002248 (E_RNA) where: Base-Base interactions energy: -1435.715 where: short stacking energy: -615.154 Base-Backbone interact. energy: -2.928 local terms energy: -646.359123 where: bonds (distance) C4'-P energy: -143.887 bonds (distance) P-C4' energy: -137.053 flat angles C4'-P-C4' energy: -133.406 flat angles P-C4'-P energy: -92.528 tors. eta vs tors. theta energy: -139.484 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: 7, replica: 6 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1860.336232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.336232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.336232 (E_RNA) where: Base-Base interactions energy: -1223.543 where: short stacking energy: -559.871 Base-Backbone interact. energy: 2.128 local terms energy: -638.921586 where: bonds (distance) C4'-P energy: -137.719 bonds (distance) P-C4' energy: -159.518 flat angles C4'-P-C4' energy: -125.653 flat angles P-C4'-P energy: -99.524 tors. eta vs tors. theta energy: -116.508 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: 8, replica: 2 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1640.771390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.771390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.771390 (E_RNA) where: Base-Base interactions energy: -1066.946 where: short stacking energy: -468.597 Base-Backbone interact. energy: -2.239 local terms energy: -571.585663 where: bonds (distance) C4'-P energy: -116.042 bonds (distance) P-C4' energy: -145.257 flat angles C4'-P-C4' energy: -132.116 flat angles P-C4'-P energy: -88.178 tors. eta vs tors. theta energy: -89.992 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: 9, replica: 3 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -1179.425072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.425072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.425072 (E_RNA) where: Base-Base interactions energy: -686.140 where: short stacking energy: -361.057 Base-Backbone interact. energy: 6.759 local terms energy: -500.043592 where: bonds (distance) C4'-P energy: -142.552 bonds (distance) P-C4' energy: -117.973 flat angles C4'-P-C4' energy: -123.548 flat angles P-C4'-P energy: -51.626 tors. eta vs tors. theta energy: -64.345 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: 10, replica: 1 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -774.773932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.773932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.773932 (E_RNA) where: Base-Base interactions energy: -349.211 where: short stacking energy: -237.310 Base-Backbone interact. energy: 4.982 local terms energy: -430.544910 where: bonds (distance) C4'-P energy: -114.606 bonds (distance) P-C4' energy: -132.977 flat angles C4'-P-C4' energy: -119.667 flat angles P-C4'-P energy: -57.510 tors. eta vs tors. theta energy: -5.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -2782.827177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.827177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.827177 (E_RNA) where: Base-Base interactions energy: -1921.701 where: short stacking energy: -852.542 Base-Backbone interact. energy: -4.519 local terms energy: -856.607785 where: bonds (distance) C4'-P energy: -167.062 bonds (distance) P-C4' energy: -155.413 flat angles C4'-P-C4' energy: -182.191 flat angles P-C4'-P energy: -120.290 tors. eta vs tors. theta energy: -231.652 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: 2, replica: 10 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -2588.854601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.854601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.854601 (E_RNA) where: Base-Base interactions energy: -1800.269 where: short stacking energy: -767.363 Base-Backbone interact. energy: -4.997 local terms energy: -783.588581 where: bonds (distance) C4'-P energy: -143.220 bonds (distance) P-C4' energy: -164.828 flat angles C4'-P-C4' energy: -180.639 flat angles P-C4'-P energy: -95.895 tors. eta vs tors. theta energy: -199.007 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: 3, replica: 4 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -2568.006954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.006954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.006954 (E_RNA) where: Base-Base interactions energy: -1778.368 where: short stacking energy: -769.891 Base-Backbone interact. energy: -3.123 local terms energy: -786.516180 where: bonds (distance) C4'-P energy: -136.795 bonds (distance) P-C4' energy: -154.912 flat angles C4'-P-C4' energy: -180.849 flat angles P-C4'-P energy: -115.149 tors. eta vs tors. theta energy: -198.811 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: 7 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -2395.320521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.320521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.320521 (E_RNA) where: Base-Base interactions energy: -1604.832 where: short stacking energy: -711.382 Base-Backbone interact. energy: -2.302 local terms energy: -788.186785 where: bonds (distance) C4'-P energy: -150.637 bonds (distance) P-C4' energy: -160.735 flat angles C4'-P-C4' energy: -179.553 flat angles P-C4'-P energy: -111.215 tors. eta vs tors. theta energy: -186.047 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: 5 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -2202.266887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.266887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.266887 (E_RNA) where: Base-Base interactions energy: -1499.618 where: short stacking energy: -667.684 Base-Backbone interact. energy: -3.406 local terms energy: -699.242949 where: bonds (distance) C4'-P energy: -133.784 bonds (distance) P-C4' energy: -126.356 flat angles C4'-P-C4' energy: -163.888 flat angles P-C4'-P energy: -100.842 tors. eta vs tors. theta energy: -174.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -2102.411266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.411266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.411266 (E_RNA) where: Base-Base interactions energy: -1450.594 where: short stacking energy: -608.539 Base-Backbone interact. energy: -0.764 local terms energy: -651.053586 where: bonds (distance) C4'-P energy: -122.385 bonds (distance) P-C4' energy: -149.739 flat angles C4'-P-C4' energy: -147.971 flat angles P-C4'-P energy: -83.342 tors. eta vs tors. theta energy: -147.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1858.826511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.826511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.826511 (E_RNA) where: Base-Base interactions energy: -1247.546 where: short stacking energy: -564.932 Base-Backbone interact. energy: -2.031 local terms energy: -609.249091 where: bonds (distance) C4'-P energy: -121.644 bonds (distance) P-C4' energy: -128.355 flat angles C4'-P-C4' energy: -146.068 flat angles P-C4'-P energy: -73.689 tors. eta vs tors. theta energy: -139.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1728.704556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.704556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.704556 (E_RNA) where: Base-Base interactions energy: -1154.310 where: short stacking energy: -542.856 Base-Backbone interact. energy: 0.495 local terms energy: -574.889085 where: bonds (distance) C4'-P energy: -119.458 bonds (distance) P-C4' energy: -148.399 flat angles C4'-P-C4' energy: -135.118 flat angles P-C4'-P energy: -73.111 tors. eta vs tors. theta energy: -98.803 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: 9, replica: 3 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -1218.457322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.457322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.457322 (E_RNA) where: Base-Base interactions energy: -759.263 where: short stacking energy: -387.758 Base-Backbone interact. energy: -0.221 local terms energy: -458.972941 where: bonds (distance) C4'-P energy: -112.884 bonds (distance) P-C4' energy: -110.688 flat angles C4'-P-C4' energy: -128.861 flat angles P-C4'-P energy: -60.764 tors. eta vs tors. theta energy: -45.776 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: 1 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -743.435073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.435073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.435073 (E_RNA) where: Base-Base interactions energy: -349.020 where: short stacking energy: -257.449 Base-Backbone interact. energy: 2.796 local terms energy: -397.211647 where: bonds (distance) C4'-P energy: -118.370 bonds (distance) P-C4' energy: -137.214 flat angles C4'-P-C4' energy: -100.104 flat angles P-C4'-P energy: -42.382 tors. eta vs tors. theta energy: 0.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -2845.536806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.536806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.536806 (E_RNA) where: Base-Base interactions energy: -1975.813 where: short stacking energy: -831.732 Base-Backbone interact. energy: -0.972 local terms energy: -868.751462 where: bonds (distance) C4'-P energy: -154.139 bonds (distance) P-C4' energy: -161.089 flat angles C4'-P-C4' energy: -188.407 flat angles P-C4'-P energy: -131.647 tors. eta vs tors. theta energy: -233.468 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: 2, replica: 10 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -2577.738339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.738339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.738339 (E_RNA) where: Base-Base interactions energy: -1764.479 where: short stacking energy: -754.838 Base-Backbone interact. energy: -1.364 local terms energy: -811.894769 where: bonds (distance) C4'-P energy: -165.052 bonds (distance) P-C4' energy: -146.513 flat angles C4'-P-C4' energy: -183.894 flat angles P-C4'-P energy: -110.688 tors. eta vs tors. theta energy: -205.748 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: 4 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -2591.662957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.662957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.662957 (E_RNA) where: Base-Base interactions energy: -1796.112 where: short stacking energy: -764.290 Base-Backbone interact. energy: -6.070 local terms energy: -789.481383 where: bonds (distance) C4'-P energy: -123.582 bonds (distance) P-C4' energy: -150.978 flat angles C4'-P-C4' energy: -178.479 flat angles P-C4'-P energy: -126.183 tors. eta vs tors. theta energy: -210.259 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: 4, replica: 7 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -2377.665910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.665910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.665910 (E_RNA) where: Base-Base interactions energy: -1613.910 where: short stacking energy: -730.659 Base-Backbone interact. energy: -6.014 local terms energy: -757.741460 where: bonds (distance) C4'-P energy: -137.930 bonds (distance) P-C4' energy: -167.233 flat angles C4'-P-C4' energy: -158.033 flat angles P-C4'-P energy: -102.540 tors. eta vs tors. theta energy: -192.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -2247.455707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.455707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.455707 (E_RNA) where: Base-Base interactions energy: -1516.241 where: short stacking energy: -664.929 Base-Backbone interact. energy: -2.079 local terms energy: -729.135861 where: bonds (distance) C4'-P energy: -147.147 bonds (distance) P-C4' energy: -139.592 flat angles C4'-P-C4' energy: -143.500 flat angles P-C4'-P energy: -109.521 tors. eta vs tors. theta energy: -189.376 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: 6, replica: 9 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -2081.502368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.502368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.502368 (E_RNA) where: Base-Base interactions energy: -1385.071 where: short stacking energy: -603.004 Base-Backbone interact. energy: -0.626 local terms energy: -695.805458 where: bonds (distance) C4'-P energy: -131.643 bonds (distance) P-C4' energy: -156.638 flat angles C4'-P-C4' energy: -159.140 flat angles P-C4'-P energy: -95.403 tors. eta vs tors. theta energy: -152.981 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: 6 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1849.884239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.884239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.884239 (E_RNA) where: Base-Base interactions energy: -1234.467 where: short stacking energy: -581.203 Base-Backbone interact. energy: -0.998 local terms energy: -614.419437 where: bonds (distance) C4'-P energy: -133.213 bonds (distance) P-C4' energy: -147.784 flat angles C4'-P-C4' energy: -132.658 flat angles P-C4'-P energy: -80.770 tors. eta vs tors. theta energy: -119.995 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: 2 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1643.027232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.027232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.027232 (E_RNA) where: Base-Base interactions energy: -1073.172 where: short stacking energy: -499.669 Base-Backbone interact. energy: -0.314 local terms energy: -569.540969 where: bonds (distance) C4'-P energy: -126.927 bonds (distance) P-C4' energy: -125.001 flat angles C4'-P-C4' energy: -142.275 flat angles P-C4'-P energy: -76.915 tors. eta vs tors. theta energy: -98.423 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: 9, replica: 3 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -1222.168176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.168176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.168176 (E_RNA) where: Base-Base interactions energy: -720.058 where: short stacking energy: -380.623 Base-Backbone interact. energy: -4.859 local terms energy: -497.251717 where: bonds (distance) C4'-P energy: -121.160 bonds (distance) P-C4' energy: -134.234 flat angles C4'-P-C4' energy: -104.618 flat angles P-C4'-P energy: -83.326 tors. eta vs tors. theta energy: -53.913 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: 1 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -746.655438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.655438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.655438 (E_RNA) where: Base-Base interactions energy: -338.765 where: short stacking energy: -218.906 Base-Backbone interact. energy: -1.007 local terms energy: -406.882952 where: bonds (distance) C4'-P energy: -116.164 bonds (distance) P-C4' energy: -122.081 flat angles C4'-P-C4' energy: -110.566 flat angles P-C4'-P energy: -77.386 tors. eta vs tors. theta energy: 19.314 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: 107 Temperature: 0.900000 Total energy: -2815.102757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.102757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.102757 (E_RNA) where: Base-Base interactions energy: -1934.271 where: short stacking energy: -822.023 Base-Backbone interact. energy: -3.265 local terms energy: -877.567064 where: bonds (distance) C4'-P energy: -159.720 bonds (distance) P-C4' energy: -177.995 flat angles C4'-P-C4' energy: -183.790 flat angles P-C4'-P energy: -130.682 tors. eta vs tors. theta energy: -225.380 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: 2, replica: 10 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2602.620700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.620700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.620700 (E_RNA) where: Base-Base interactions energy: -1785.969 where: short stacking energy: -739.598 Base-Backbone interact. energy: -3.991 local terms energy: -812.660664 where: bonds (distance) C4'-P energy: -158.499 bonds (distance) P-C4' energy: -168.652 flat angles C4'-P-C4' energy: -177.335 flat angles P-C4'-P energy: -111.625 tors. eta vs tors. theta energy: -196.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -2542.232424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.232424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.232424 (E_RNA) where: Base-Base interactions energy: -1778.013 where: short stacking energy: -738.479 Base-Backbone interact. energy: -4.933 local terms energy: -759.286418 where: bonds (distance) C4'-P energy: -155.390 bonds (distance) P-C4' energy: -135.123 flat angles C4'-P-C4' energy: -176.970 flat angles P-C4'-P energy: -98.792 tors. eta vs tors. theta energy: -193.011 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: 4, replica: 7 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -2464.689111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.689111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.689111 (E_RNA) where: Base-Base interactions energy: -1713.739 where: short stacking energy: -740.032 Base-Backbone interact. energy: -3.652 local terms energy: -747.298276 where: bonds (distance) C4'-P energy: -127.974 bonds (distance) P-C4' energy: -151.393 flat angles C4'-P-C4' energy: -170.277 flat angles P-C4'-P energy: -89.516 tors. eta vs tors. theta energy: -208.138 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: 5 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -2298.703760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.703760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.703760 (E_RNA) where: Base-Base interactions energy: -1564.651 where: short stacking energy: -663.399 Base-Backbone interact. energy: -1.062 local terms energy: -732.990430 where: bonds (distance) C4'-P energy: -140.171 bonds (distance) P-C4' energy: -153.625 flat angles C4'-P-C4' energy: -164.209 flat angles P-C4'-P energy: -97.075 tors. eta vs tors. theta energy: -177.912 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: 6, replica: 9 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -2161.231238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.231238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.231238 (E_RNA) where: Base-Base interactions energy: -1473.801 where: short stacking energy: -651.115 Base-Backbone interact. energy: -3.047 local terms energy: -684.382900 where: bonds (distance) C4'-P energy: -124.288 bonds (distance) P-C4' energy: -160.800 flat angles C4'-P-C4' energy: -148.939 flat angles P-C4'-P energy: -93.429 tors. eta vs tors. theta energy: -156.927 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: 7, replica: 6 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1847.219269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.219269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.219269 (E_RNA) where: Base-Base interactions energy: -1224.065 where: short stacking energy: -556.777 Base-Backbone interact. energy: -4.307 local terms energy: -618.847637 where: bonds (distance) C4'-P energy: -127.687 bonds (distance) P-C4' energy: -126.645 flat angles C4'-P-C4' energy: -143.046 flat angles P-C4'-P energy: -96.696 tors. eta vs tors. theta energy: -124.774 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: 8, replica: 2 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1646.782227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.782227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.782227 (E_RNA) where: Base-Base interactions energy: -1046.225 where: short stacking energy: -492.564 Base-Backbone interact. energy: 0.432 local terms energy: -600.988990 where: bonds (distance) C4'-P energy: -129.777 bonds (distance) P-C4' energy: -139.670 flat angles C4'-P-C4' energy: -136.781 flat angles P-C4'-P energy: -97.476 tors. eta vs tors. theta energy: -97.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -1194.607146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.607146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.607146 (E_RNA) where: Base-Base interactions energy: -678.329 where: short stacking energy: -369.604 Base-Backbone interact. energy: 0.564 local terms energy: -516.842386 where: bonds (distance) C4'-P energy: -148.053 bonds (distance) P-C4' energy: -104.818 flat angles C4'-P-C4' energy: -128.779 flat angles P-C4'-P energy: -79.145 tors. eta vs tors. theta energy: -56.046 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: 1 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -765.633462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.633462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.633462 (E_RNA) where: Base-Base interactions energy: -370.773 where: short stacking energy: -235.686 Base-Backbone interact. energy: 4.285 local terms energy: -399.145407 where: bonds (distance) C4'-P energy: -105.542 bonds (distance) P-C4' energy: -135.820 flat angles C4'-P-C4' energy: -124.605 flat angles P-C4'-P energy: -45.635 tors. eta vs tors. theta energy: 12.455 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: 108 Temperature: 0.900000 Total energy: -2787.066318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.066318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.066318 (E_RNA) where: Base-Base interactions energy: -1922.797 where: short stacking energy: -818.949 Base-Backbone interact. energy: -0.557 local terms energy: -863.712222 where: bonds (distance) C4'-P energy: -168.792 bonds (distance) P-C4' energy: -148.648 flat angles C4'-P-C4' energy: -182.020 flat angles P-C4'-P energy: -121.691 tors. eta vs tors. theta energy: -242.562 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: 10 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -2610.634288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.634288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.634288 (E_RNA) where: Base-Base interactions energy: -1809.296 where: short stacking energy: -762.098 Base-Backbone interact. energy: 1.277 local terms energy: -802.614579 where: bonds (distance) C4'-P energy: -161.506 bonds (distance) P-C4' energy: -163.530 flat angles C4'-P-C4' energy: -162.690 flat angles P-C4'-P energy: -111.541 tors. eta vs tors. theta energy: -203.347 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: 4 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -2549.698699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.698699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.698699 (E_RNA) where: Base-Base interactions energy: -1766.991 where: short stacking energy: -743.815 Base-Backbone interact. energy: 2.597 local terms energy: -785.304477 where: bonds (distance) C4'-P energy: -142.345 bonds (distance) P-C4' energy: -159.845 flat angles C4'-P-C4' energy: -176.582 flat angles P-C4'-P energy: -107.253 tors. eta vs tors. theta energy: -199.278 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: 4, replica: 7 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -2432.991044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.991044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.991044 (E_RNA) where: Base-Base interactions energy: -1673.362 where: short stacking energy: -727.024 Base-Backbone interact. energy: -2.897 local terms energy: -756.732825 where: bonds (distance) C4'-P energy: -143.400 bonds (distance) P-C4' energy: -139.677 flat angles C4'-P-C4' energy: -174.688 flat angles P-C4'-P energy: -105.355 tors. eta vs tors. theta energy: -193.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -2307.649224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.649224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.649224 (E_RNA) where: Base-Base interactions energy: -1576.167 where: short stacking energy: -683.325 Base-Backbone interact. energy: -0.893 local terms energy: -730.589455 where: bonds (distance) C4'-P energy: -121.515 bonds (distance) P-C4' energy: -143.888 flat angles C4'-P-C4' energy: -162.695 flat angles P-C4'-P energy: -98.117 tors. eta vs tors. theta energy: -204.375 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: 6, replica: 9 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -2119.858025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.858025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.858025 (E_RNA) where: Base-Base interactions energy: -1450.890 where: short stacking energy: -621.382 Base-Backbone interact. energy: -2.448 local terms energy: -666.520053 where: bonds (distance) C4'-P energy: -126.308 bonds (distance) P-C4' energy: -145.038 flat angles C4'-P-C4' energy: -148.048 flat angles P-C4'-P energy: -92.257 tors. eta vs tors. theta energy: -154.869 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: 108 Temperature: 1.200000 Total energy: -1914.656108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.656108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.656108 (E_RNA) where: Base-Base interactions energy: -1288.482 where: short stacking energy: -575.253 Base-Backbone interact. energy: -2.468 local terms energy: -623.706048 where: bonds (distance) C4'-P energy: -138.196 bonds (distance) P-C4' energy: -124.759 flat angles C4'-P-C4' energy: -146.264 flat angles P-C4'-P energy: -89.857 tors. eta vs tors. theta energy: -124.629 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: 2 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1608.990331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.990331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.990331 (E_RNA) where: Base-Base interactions energy: -1034.152 where: short stacking energy: -458.413 Base-Backbone interact. energy: 0.370 local terms energy: -575.209072 where: bonds (distance) C4'-P energy: -125.347 bonds (distance) P-C4' energy: -146.922 flat angles C4'-P-C4' energy: -128.621 flat angles P-C4'-P energy: -87.589 tors. eta vs tors. theta energy: -86.730 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: 9, replica: 3 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -1178.231719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.231719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.231719 (E_RNA) where: Base-Base interactions energy: -691.944 where: short stacking energy: -368.079 Base-Backbone interact. energy: -0.906 local terms energy: -485.381489 where: bonds (distance) C4'-P energy: -124.319 bonds (distance) P-C4' energy: -126.979 flat angles C4'-P-C4' energy: -122.492 flat angles P-C4'-P energy: -69.819 tors. eta vs tors. theta energy: -41.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -864.775804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.775804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.775804 (E_RNA) where: Base-Base interactions energy: -467.028 where: short stacking energy: -298.121 Base-Backbone interact. energy: 1.229 local terms energy: -398.976965 where: bonds (distance) C4'-P energy: -110.779 bonds (distance) P-C4' energy: -138.307 flat angles C4'-P-C4' energy: -104.814 flat angles P-C4'-P energy: -51.799 tors. eta vs tors. theta energy: 6.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -2818.164136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.164136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.164136 (E_RNA) where: Base-Base interactions energy: -1943.636 where: short stacking energy: -849.147 Base-Backbone interact. energy: -2.712 local terms energy: -871.815640 where: bonds (distance) C4'-P energy: -167.145 bonds (distance) P-C4' energy: -162.060 flat angles C4'-P-C4' energy: -188.719 flat angles P-C4'-P energy: -100.788 tors. eta vs tors. theta energy: -253.104 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: 10 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2612.943458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.943458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.943458 (E_RNA) where: Base-Base interactions energy: -1800.020 where: short stacking energy: -780.703 Base-Backbone interact. energy: -0.776 local terms energy: -812.147651 where: bonds (distance) C4'-P energy: -145.193 bonds (distance) P-C4' energy: -169.551 flat angles C4'-P-C4' energy: -174.516 flat angles P-C4'-P energy: -110.395 tors. eta vs tors. theta energy: -212.491 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: 3, replica: 4 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -2543.069069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.069069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.069069 (E_RNA) where: Base-Base interactions energy: -1763.151 where: short stacking energy: -742.839 Base-Backbone interact. energy: -4.943 local terms energy: -774.974573 where: bonds (distance) C4'-P energy: -142.162 bonds (distance) P-C4' energy: -157.149 flat angles C4'-P-C4' energy: -170.773 flat angles P-C4'-P energy: -113.704 tors. eta vs tors. theta energy: -191.187 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: 4, replica: 7 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -2426.253257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.253257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.253257 (E_RNA) where: Base-Base interactions energy: -1640.781 where: short stacking energy: -714.182 Base-Backbone interact. energy: 3.175 local terms energy: -788.646545 where: bonds (distance) C4'-P energy: -152.150 bonds (distance) P-C4' energy: -159.277 flat angles C4'-P-C4' energy: -171.382 flat angles P-C4'-P energy: -112.652 tors. eta vs tors. theta energy: -193.185 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: 5, replica: 5 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -2336.071641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.071641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.071641 (E_RNA) where: Base-Base interactions energy: -1601.520 where: short stacking energy: -679.556 Base-Backbone interact. energy: -0.747 local terms energy: -733.804626 where: bonds (distance) C4'-P energy: -124.059 bonds (distance) P-C4' energy: -148.608 flat angles C4'-P-C4' energy: -168.370 flat angles P-C4'-P energy: -114.983 tors. eta vs tors. theta energy: -177.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -2085.328529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.328529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.328529 (E_RNA) where: Base-Base interactions energy: -1431.418 where: short stacking energy: -593.706 Base-Backbone interact. energy: 3.412 local terms energy: -657.322418 where: bonds (distance) C4'-P energy: -140.578 bonds (distance) P-C4' energy: -129.532 flat angles C4'-P-C4' energy: -158.628 flat angles P-C4'-P energy: -90.187 tors. eta vs tors. theta energy: -138.397 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: 6 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1956.115422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.115422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.115422 (E_RNA) where: Base-Base interactions energy: -1319.815 where: short stacking energy: -575.673 Base-Backbone interact. energy: -0.862 local terms energy: -635.438656 where: bonds (distance) C4'-P energy: -128.727 bonds (distance) P-C4' energy: -132.997 flat angles C4'-P-C4' energy: -159.363 flat angles P-C4'-P energy: -82.297 tors. eta vs tors. theta energy: -132.054 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: 8, replica: 2 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1629.540809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.540809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.540809 (E_RNA) where: Base-Base interactions energy: -1056.232 where: short stacking energy: -490.269 Base-Backbone interact. energy: -3.234 local terms energy: -570.075437 where: bonds (distance) C4'-P energy: -127.561 bonds (distance) P-C4' energy: -136.569 flat angles C4'-P-C4' energy: -132.012 flat angles P-C4'-P energy: -93.265 tors. eta vs tors. theta energy: -80.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -1179.007796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.007796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.007796 (E_RNA) where: Base-Base interactions energy: -708.403 where: short stacking energy: -359.131 Base-Backbone interact. energy: 3.545 local terms energy: -474.149498 where: bonds (distance) C4'-P energy: -118.354 bonds (distance) P-C4' energy: -141.042 flat angles C4'-P-C4' energy: -95.324 flat angles P-C4'-P energy: -72.719 tors. eta vs tors. theta energy: -46.711 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: 10, replica: 1 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -812.256997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.256997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.256997 (E_RNA) where: Base-Base interactions energy: -413.376 where: short stacking energy: -227.017 Base-Backbone interact. energy: 3.892 local terms energy: -402.772990 where: bonds (distance) C4'-P energy: -131.655 bonds (distance) P-C4' energy: -119.084 flat angles C4'-P-C4' energy: -100.428 flat angles P-C4'-P energy: -68.653 tors. eta vs tors. theta energy: 17.046 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: 1, replica: 8 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -2827.135820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.135820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.135820 (E_RNA) where: Base-Base interactions energy: -1964.796 where: short stacking energy: -850.967 Base-Backbone interact. energy: -1.472 local terms energy: -860.867353 where: bonds (distance) C4'-P energy: -153.820 bonds (distance) P-C4' energy: -157.647 flat angles C4'-P-C4' energy: -176.623 flat angles P-C4'-P energy: -133.494 tors. eta vs tors. theta energy: -239.283 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: 2, replica: 10 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2625.635734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.635734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.635734 (E_RNA) where: Base-Base interactions energy: -1792.071 where: short stacking energy: -793.395 Base-Backbone interact. energy: -4.131 local terms energy: -829.434382 where: bonds (distance) C4'-P energy: -143.330 bonds (distance) P-C4' energy: -150.899 flat angles C4'-P-C4' energy: -183.261 flat angles P-C4'-P energy: -135.310 tors. eta vs tors. theta energy: -216.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -2569.910361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.910361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.910361 (E_RNA) where: Base-Base interactions energy: -1773.784 where: short stacking energy: -754.159 Base-Backbone interact. energy: -3.242 local terms energy: -792.884996 where: bonds (distance) C4'-P energy: -152.365 bonds (distance) P-C4' energy: -152.862 flat angles C4'-P-C4' energy: -170.111 flat angles P-C4'-P energy: -127.337 tors. eta vs tors. theta energy: -190.210 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: 7 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -2383.687635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.687635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.687635 (E_RNA) where: Base-Base interactions energy: -1635.664 where: short stacking energy: -709.226 Base-Backbone interact. energy: 1.904 local terms energy: -749.927749 where: bonds (distance) C4'-P energy: -141.161 bonds (distance) P-C4' energy: -150.218 flat angles C4'-P-C4' energy: -166.816 flat angles P-C4'-P energy: -103.158 tors. eta vs tors. theta energy: -188.573 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: 5, replica: 5 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -2377.397681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.397681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.397681 (E_RNA) where: Base-Base interactions energy: -1594.090 where: short stacking energy: -682.360 Base-Backbone interact. energy: -4.798 local terms energy: -778.510006 where: bonds (distance) C4'-P energy: -160.024 bonds (distance) P-C4' energy: -143.789 flat angles C4'-P-C4' energy: -161.693 flat angles P-C4'-P energy: -109.897 tors. eta vs tors. theta energy: -203.107 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: 110 Temperature: 1.150000 Total energy: -2087.825008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.825008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.825008 (E_RNA) where: Base-Base interactions energy: -1450.510 where: short stacking energy: -581.853 Base-Backbone interact. energy: -0.807 local terms energy: -636.507526 where: bonds (distance) C4'-P energy: -122.780 bonds (distance) P-C4' energy: -125.524 flat angles C4'-P-C4' energy: -164.085 flat angles P-C4'-P energy: -94.823 tors. eta vs tors. theta energy: -129.294 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: 6 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1937.129081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.129081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.129081 (E_RNA) where: Base-Base interactions energy: -1285.313 where: short stacking energy: -582.776 Base-Backbone interact. energy: 1.584 local terms energy: -653.399654 where: bonds (distance) C4'-P energy: -120.447 bonds (distance) P-C4' energy: -149.499 flat angles C4'-P-C4' energy: -158.437 flat angles P-C4'-P energy: -92.474 tors. eta vs tors. theta energy: -132.543 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: 2 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1624.248389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.248389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.248389 (E_RNA) where: Base-Base interactions energy: -1031.569 where: short stacking energy: -488.848 Base-Backbone interact. energy: 4.149 local terms energy: -596.828809 where: bonds (distance) C4'-P energy: -146.718 bonds (distance) P-C4' energy: -123.211 flat angles C4'-P-C4' energy: -129.765 flat angles P-C4'-P energy: -94.121 tors. eta vs tors. theta energy: -103.015 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: 9, replica: 3 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -1235.070387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.070387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.070387 (E_RNA) where: Base-Base interactions energy: -749.587 where: short stacking energy: -360.391 Base-Backbone interact. energy: 7.759 local terms energy: -493.242013 where: bonds (distance) C4'-P energy: -127.718 bonds (distance) P-C4' energy: -116.268 flat angles C4'-P-C4' energy: -125.524 flat angles P-C4'-P energy: -89.532 tors. eta vs tors. theta energy: -34.200 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: 1 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -834.370335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.370335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.370335 (E_RNA) where: Base-Base interactions energy: -397.435 where: short stacking energy: -253.888 Base-Backbone interact. energy: -1.681 local terms energy: -435.254762 where: bonds (distance) C4'-P energy: -110.393 bonds (distance) P-C4' energy: -164.541 flat angles C4'-P-C4' energy: -94.313 flat angles P-C4'-P energy: -55.465 tors. eta vs tors. theta energy: -10.543 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: 111 Temperature: 0.900000 Total energy: -2852.227205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.227205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.227205 (E_RNA) where: Base-Base interactions energy: -1953.313 where: short stacking energy: -825.190 Base-Backbone interact. energy: -3.579 local terms energy: -895.334927 where: bonds (distance) C4'-P energy: -173.622 bonds (distance) P-C4' energy: -163.952 flat angles C4'-P-C4' energy: -189.181 flat angles P-C4'-P energy: -136.584 tors. eta vs tors. theta energy: -231.996 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: 2, replica: 10 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2636.077533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.077533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.077533 (E_RNA) where: Base-Base interactions energy: -1817.083 where: short stacking energy: -811.861 Base-Backbone interact. energy: -2.351 local terms energy: -816.642941 where: bonds (distance) C4'-P energy: -153.742 bonds (distance) P-C4' energy: -156.834 flat angles C4'-P-C4' energy: -180.310 flat angles P-C4'-P energy: -113.900 tors. eta vs tors. theta energy: -211.857 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: 3, replica: 4 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -2550.531314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.531314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.531314 (E_RNA) where: Base-Base interactions energy: -1765.249 where: short stacking energy: -783.406 Base-Backbone interact. energy: -2.192 local terms energy: -783.090789 where: bonds (distance) C4'-P energy: -144.034 bonds (distance) P-C4' energy: -146.230 flat angles C4'-P-C4' energy: -175.223 flat angles P-C4'-P energy: -108.837 tors. eta vs tors. theta energy: -208.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -2442.239486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.239486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.239486 (E_RNA) where: Base-Base interactions energy: -1693.347 where: short stacking energy: -728.711 Base-Backbone interact. energy: -5.545 local terms energy: -743.347610 where: bonds (distance) C4'-P energy: -141.460 bonds (distance) P-C4' energy: -139.197 flat angles C4'-P-C4' energy: -167.328 flat angles P-C4'-P energy: -99.495 tors. eta vs tors. theta energy: -195.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -2335.639666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.639666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.639666 (E_RNA) where: Base-Base interactions energy: -1587.370 where: short stacking energy: -726.651 Base-Backbone interact. energy: -3.882 local terms energy: -744.387438 where: bonds (distance) C4'-P energy: -150.306 bonds (distance) P-C4' energy: -126.076 flat angles C4'-P-C4' energy: -170.111 flat angles P-C4'-P energy: -111.594 tors. eta vs tors. theta energy: -186.301 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: 6, replica: 9 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -2127.313996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.313996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.313996 (E_RNA) where: Base-Base interactions energy: -1465.537 where: short stacking energy: -635.972 Base-Backbone interact. energy: -0.590 local terms energy: -661.186923 where: bonds (distance) C4'-P energy: -140.252 bonds (distance) P-C4' energy: -143.310 flat angles C4'-P-C4' energy: -137.937 flat angles P-C4'-P energy: -84.973 tors. eta vs tors. theta energy: -154.714 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: 6 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -2004.980893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.980893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.980893 (E_RNA) where: Base-Base interactions energy: -1308.847 where: short stacking energy: -562.673 Base-Backbone interact. energy: 0.011 local terms energy: -696.144719 where: bonds (distance) C4'-P energy: -137.062 bonds (distance) P-C4' energy: -159.579 flat angles C4'-P-C4' energy: -152.991 flat angles P-C4'-P energy: -92.469 tors. eta vs tors. theta energy: -154.043 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: 8, replica: 2 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1614.871749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.871749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.871749 (E_RNA) where: Base-Base interactions energy: -1052.153 where: short stacking energy: -459.721 Base-Backbone interact. energy: 0.864 local terms energy: -563.582881 where: bonds (distance) C4'-P energy: -136.880 bonds (distance) P-C4' energy: -108.218 flat angles C4'-P-C4' energy: -155.706 flat angles P-C4'-P energy: -68.061 tors. eta vs tors. theta energy: -94.718 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: 3 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -1318.290306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.290306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.290306 (E_RNA) where: Base-Base interactions energy: -796.441 where: short stacking energy: -406.850 Base-Backbone interact. energy: -2.607 local terms energy: -519.241899 where: bonds (distance) C4'-P energy: -116.054 bonds (distance) P-C4' energy: -147.634 flat angles C4'-P-C4' energy: -131.108 flat angles P-C4'-P energy: -66.077 tors. eta vs tors. theta energy: -58.370 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: 1 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -818.205635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.205635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.205635 (E_RNA) where: Base-Base interactions energy: -418.780 where: short stacking energy: -248.090 Base-Backbone interact. energy: -2.420 local terms energy: -397.004965 where: bonds (distance) C4'-P energy: -95.255 bonds (distance) P-C4' energy: -129.056 flat angles C4'-P-C4' energy: -122.653 flat angles P-C4'-P energy: -48.439 tors. eta vs tors. theta energy: -1.601 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: 1, replica: 8 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -2842.056472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.056472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.056472 (E_RNA) where: Base-Base interactions energy: -1957.999 where: short stacking energy: -825.015 Base-Backbone interact. energy: -3.831 local terms energy: -880.226329 where: bonds (distance) C4'-P energy: -170.822 bonds (distance) P-C4' energy: -178.728 flat angles C4'-P-C4' energy: -190.058 flat angles P-C4'-P energy: -108.870 tors. eta vs tors. theta energy: -231.748 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: 10 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -2633.821310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.821310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.821310 (E_RNA) where: Base-Base interactions energy: -1783.638 where: short stacking energy: -793.590 Base-Backbone interact. energy: 1.100 local terms energy: -851.282554 where: bonds (distance) C4'-P energy: -173.635 bonds (distance) P-C4' energy: -161.957 flat angles C4'-P-C4' energy: -190.480 flat angles P-C4'-P energy: -117.875 tors. eta vs tors. theta energy: -207.335 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: 3, replica: 4 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -2557.106977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.106977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.106977 (E_RNA) where: Base-Base interactions energy: -1770.789 where: short stacking energy: -745.608 Base-Backbone interact. energy: -2.104 local terms energy: -784.214035 where: bonds (distance) C4'-P energy: -148.116 bonds (distance) P-C4' energy: -150.173 flat angles C4'-P-C4' energy: -186.441 flat angles P-C4'-P energy: -115.042 tors. eta vs tors. theta energy: -184.442 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: 4, replica: 5 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -2437.560709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.560709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.560709 (E_RNA) where: Base-Base interactions energy: -1662.504 where: short stacking energy: -702.325 Base-Backbone interact. energy: -5.426 local terms energy: -769.630086 where: bonds (distance) C4'-P energy: -148.596 bonds (distance) P-C4' energy: -155.513 flat angles C4'-P-C4' energy: -165.232 flat angles P-C4'-P energy: -102.367 tors. eta vs tors. theta energy: -197.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -2327.479831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.479831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.479831 (E_RNA) where: Base-Base interactions energy: -1577.207 where: short stacking energy: -699.166 Base-Backbone interact. energy: -4.448 local terms energy: -745.825511 where: bonds (distance) C4'-P energy: -149.915 bonds (distance) P-C4' energy: -162.355 flat angles C4'-P-C4' energy: -145.094 flat angles P-C4'-P energy: -105.264 tors. eta vs tors. theta energy: -183.197 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: 6, replica: 9 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -2073.227262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.227262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.227262 (E_RNA) where: Base-Base interactions energy: -1403.249 where: short stacking energy: -593.918 Base-Backbone interact. energy: -0.976 local terms energy: -669.001797 where: bonds (distance) C4'-P energy: -138.911 bonds (distance) P-C4' energy: -148.189 flat angles C4'-P-C4' energy: -145.789 flat angles P-C4'-P energy: -97.672 tors. eta vs tors. theta energy: -138.441 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: 6 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -2020.658535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.658535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.658535 (E_RNA) where: Base-Base interactions energy: -1350.028 where: short stacking energy: -596.997 Base-Backbone interact. energy: 0.908 local terms energy: -671.539038 where: bonds (distance) C4'-P energy: -131.788 bonds (distance) P-C4' energy: -128.206 flat angles C4'-P-C4' energy: -151.473 flat angles P-C4'-P energy: -94.419 tors. eta vs tors. theta energy: -165.653 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: 2 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1786.781363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.781363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.781363 (E_RNA) where: Base-Base interactions energy: -1199.069 where: short stacking energy: -540.616 Base-Backbone interact. energy: -0.895 local terms energy: -586.817310 where: bonds (distance) C4'-P energy: -124.628 bonds (distance) P-C4' energy: -138.412 flat angles C4'-P-C4' energy: -133.156 flat angles P-C4'-P energy: -84.086 tors. eta vs tors. theta energy: -106.535 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: 9, replica: 3 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -1221.157581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.157581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.157581 (E_RNA) where: Base-Base interactions energy: -716.244 where: short stacking energy: -377.026 Base-Backbone interact. energy: -2.057 local terms energy: -502.856557 where: bonds (distance) C4'-P energy: -112.127 bonds (distance) P-C4' energy: -133.646 flat angles C4'-P-C4' energy: -135.192 flat angles P-C4'-P energy: -58.774 tors. eta vs tors. theta energy: -63.119 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: 10, replica: 1 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -768.948004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.948004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.948004 (E_RNA) where: Base-Base interactions energy: -353.315 where: short stacking energy: -241.407 Base-Backbone interact. energy: 0.248 local terms energy: -415.881207 where: bonds (distance) C4'-P energy: -117.200 bonds (distance) P-C4' energy: -145.549 flat angles C4'-P-C4' energy: -100.553 flat angles P-C4'-P energy: -47.555 tors. eta vs tors. theta energy: -5.024 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: 113 Temperature: 0.900000 Total energy: -2778.298026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.298026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.298026 (E_RNA) where: Base-Base interactions energy: -1930.504 where: short stacking energy: -820.526 Base-Backbone interact. energy: -6.309 local terms energy: -841.484846 where: bonds (distance) C4'-P energy: -159.937 bonds (distance) P-C4' energy: -155.059 flat angles C4'-P-C4' energy: -183.384 flat angles P-C4'-P energy: -110.055 tors. eta vs tors. theta energy: -233.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -2652.926606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.926606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.926606 (E_RNA) where: Base-Base interactions energy: -1787.215 where: short stacking energy: -803.006 Base-Backbone interact. energy: -3.896 local terms energy: -861.814756 where: bonds (distance) C4'-P energy: -153.299 bonds (distance) P-C4' energy: -166.794 flat angles C4'-P-C4' energy: -189.804 flat angles P-C4'-P energy: -120.615 tors. eta vs tors. theta energy: -231.303 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: 4 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -2543.846457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.846457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.846457 (E_RNA) where: Base-Base interactions energy: -1783.482 where: short stacking energy: -743.462 Base-Backbone interact. energy: 1.120 local terms energy: -761.484032 where: bonds (distance) C4'-P energy: -149.415 bonds (distance) P-C4' energy: -145.080 flat angles C4'-P-C4' energy: -157.424 flat angles P-C4'-P energy: -116.643 tors. eta vs tors. theta energy: -192.921 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: 7 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -2433.306096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.306096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.306096 (E_RNA) where: Base-Base interactions energy: -1687.784 where: short stacking energy: -710.510 Base-Backbone interact. energy: -4.368 local terms energy: -741.153876 where: bonds (distance) C4'-P energy: -143.890 bonds (distance) P-C4' energy: -150.181 flat angles C4'-P-C4' energy: -148.666 flat angles P-C4'-P energy: -111.296 tors. eta vs tors. theta energy: -187.122 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: 5 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -2318.929404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.929404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.929404 (E_RNA) where: Base-Base interactions energy: -1610.175 where: short stacking energy: -682.730 Base-Backbone interact. energy: -0.668 local terms energy: -708.086247 where: bonds (distance) C4'-P energy: -141.069 bonds (distance) P-C4' energy: -131.939 flat angles C4'-P-C4' energy: -162.241 flat angles P-C4'-P energy: -90.445 tors. eta vs tors. theta energy: -182.392 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: 6, replica: 9 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -2101.055534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.055534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.055534 (E_RNA) where: Base-Base interactions energy: -1402.784 where: short stacking energy: -593.800 Base-Backbone interact. energy: 0.915 local terms energy: -699.186796 where: bonds (distance) C4'-P energy: -149.300 bonds (distance) P-C4' energy: -146.464 flat angles C4'-P-C4' energy: -164.050 flat angles P-C4'-P energy: -96.154 tors. eta vs tors. theta energy: -143.219 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: 7, replica: 6 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -2035.036045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.036045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.036045 (E_RNA) where: Base-Base interactions energy: -1386.175 where: short stacking energy: -598.832 Base-Backbone interact. energy: -4.226 local terms energy: -644.634076 where: bonds (distance) C4'-P energy: -121.404 bonds (distance) P-C4' energy: -147.368 flat angles C4'-P-C4' energy: -142.330 flat angles P-C4'-P energy: -84.729 tors. eta vs tors. theta energy: -148.803 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: 8, replica: 2 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1809.879997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.879997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.879997 (E_RNA) where: Base-Base interactions energy: -1184.667 where: short stacking energy: -507.378 Base-Backbone interact. energy: -1.996 local terms energy: -623.217868 where: bonds (distance) C4'-P energy: -142.641 bonds (distance) P-C4' energy: -146.868 flat angles C4'-P-C4' energy: -140.043 flat angles P-C4'-P energy: -98.902 tors. eta vs tors. theta energy: -94.764 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: 9, replica: 3 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -1214.656422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.656422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.656422 (E_RNA) where: Base-Base interactions energy: -696.841 where: short stacking energy: -341.849 Base-Backbone interact. energy: 1.701 local terms energy: -519.515979 where: bonds (distance) C4'-P energy: -150.814 bonds (distance) P-C4' energy: -144.433 flat angles C4'-P-C4' energy: -117.332 flat angles P-C4'-P energy: -66.502 tors. eta vs tors. theta energy: -40.436 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: 1 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -756.564061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.564061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.564061 (E_RNA) where: Base-Base interactions energy: -323.749 where: short stacking energy: -229.169 Base-Backbone interact. energy: -3.056 local terms energy: -429.759350 where: bonds (distance) C4'-P energy: -130.749 bonds (distance) P-C4' energy: -136.100 flat angles C4'-P-C4' energy: -111.516 flat angles P-C4'-P energy: -51.825 tors. eta vs tors. theta energy: 0.431 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: 114 Temperature: 0.900000 Total energy: -2774.144509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.144509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.144509 (E_RNA) where: Base-Base interactions energy: -1908.072 where: short stacking energy: -867.051 Base-Backbone interact. energy: -4.822 local terms energy: -861.250043 where: bonds (distance) C4'-P energy: -154.647 bonds (distance) P-C4' energy: -161.570 flat angles C4'-P-C4' energy: -177.157 flat angles P-C4'-P energy: -121.216 tors. eta vs tors. theta energy: -246.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -2632.045889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.045889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.045889 (E_RNA) where: Base-Base interactions energy: -1802.492 where: short stacking energy: -785.784 Base-Backbone interact. energy: 0.413 local terms energy: -829.966556 where: bonds (distance) C4'-P energy: -148.218 bonds (distance) P-C4' energy: -161.618 flat angles C4'-P-C4' energy: -183.722 flat angles P-C4'-P energy: -120.011 tors. eta vs tors. theta energy: -216.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -2576.553018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.553018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.553018 (E_RNA) where: Base-Base interactions energy: -1794.952 where: short stacking energy: -744.507 Base-Backbone interact. energy: -2.041 local terms energy: -779.560234 where: bonds (distance) C4'-P energy: -151.803 bonds (distance) P-C4' energy: -156.526 flat angles C4'-P-C4' energy: -171.598 flat angles P-C4'-P energy: -93.489 tors. eta vs tors. theta energy: -206.144 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: 4, replica: 7 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -2451.323801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.323801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.323801 (E_RNA) where: Base-Base interactions energy: -1671.726 where: short stacking energy: -714.779 Base-Backbone interact. energy: -0.998 local terms energy: -778.599091 where: bonds (distance) C4'-P energy: -147.033 bonds (distance) P-C4' energy: -168.636 flat angles C4'-P-C4' energy: -168.736 flat angles P-C4'-P energy: -102.351 tors. eta vs tors. theta energy: -191.843 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: 114 Temperature: 1.100000 Total energy: -2391.266609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.266609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.266609 (E_RNA) where: Base-Base interactions energy: -1677.027 where: short stacking energy: -715.933 Base-Backbone interact. energy: -1.456 local terms energy: -712.783765 where: bonds (distance) C4'-P energy: -132.551 bonds (distance) P-C4' energy: -136.406 flat angles C4'-P-C4' energy: -152.268 flat angles P-C4'-P energy: -105.961 tors. eta vs tors. theta energy: -185.598 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: 6, replica: 9 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -2156.832437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.832437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.832437 (E_RNA) where: Base-Base interactions energy: -1431.836 where: short stacking energy: -602.937 Base-Backbone interact. energy: -0.091 local terms energy: -724.905631 where: bonds (distance) C4'-P energy: -153.355 bonds (distance) P-C4' energy: -139.122 flat angles C4'-P-C4' energy: -173.226 flat angles P-C4'-P energy: -109.572 tors. eta vs tors. theta energy: -149.630 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: 6 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -2069.948899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.948899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.948899 (E_RNA) where: Base-Base interactions energy: -1378.086 where: short stacking energy: -599.743 Base-Backbone interact. energy: -3.238 local terms energy: -688.625049 where: bonds (distance) C4'-P energy: -156.617 bonds (distance) P-C4' energy: -125.053 flat angles C4'-P-C4' energy: -164.527 flat angles P-C4'-P energy: -89.010 tors. eta vs tors. theta energy: -153.418 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: 2 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1779.126999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.126999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.126999 (E_RNA) where: Base-Base interactions energy: -1185.614 where: short stacking energy: -542.876 Base-Backbone interact. energy: 3.163 local terms energy: -596.676460 where: bonds (distance) C4'-P energy: -131.019 bonds (distance) P-C4' energy: -139.788 flat angles C4'-P-C4' energy: -144.446 flat angles P-C4'-P energy: -82.751 tors. eta vs tors. theta energy: -98.673 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: 9, replica: 3 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -1171.139111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.139111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.139111 (E_RNA) where: Base-Base interactions energy: -692.985 where: short stacking energy: -323.356 Base-Backbone interact. energy: 7.053 local terms energy: -485.206953 where: bonds (distance) C4'-P energy: -128.592 bonds (distance) P-C4' energy: -157.305 flat angles C4'-P-C4' energy: -133.542 flat angles P-C4'-P energy: -56.883 tors. eta vs tors. theta energy: -8.885 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: 1 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -740.528740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.528740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.528740 (E_RNA) where: Base-Base interactions energy: -309.944 where: short stacking energy: -221.466 Base-Backbone interact. energy: 1.679 local terms energy: -432.264260 where: bonds (distance) C4'-P energy: -125.230 bonds (distance) P-C4' energy: -111.300 flat angles C4'-P-C4' energy: -124.838 flat angles P-C4'-P energy: -78.322 tors. eta vs tors. theta energy: 7.425 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: 115 Temperature: 0.900000 Total energy: -2771.396479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.396479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.396479 (E_RNA) where: Base-Base interactions energy: -1905.782 where: short stacking energy: -828.053 Base-Backbone interact. energy: -2.445 local terms energy: -863.169584 where: bonds (distance) C4'-P energy: -172.303 bonds (distance) P-C4' energy: -153.291 flat angles C4'-P-C4' energy: -170.202 flat angles P-C4'-P energy: -125.009 tors. eta vs tors. theta energy: -242.365 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: 2, replica: 10 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -2610.201117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.201117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.201117 (E_RNA) where: Base-Base interactions energy: -1778.394 where: short stacking energy: -796.948 Base-Backbone interact. energy: 0.238 local terms energy: -832.045628 where: bonds (distance) C4'-P energy: -154.748 bonds (distance) P-C4' energy: -168.000 flat angles C4'-P-C4' energy: -181.494 flat angles P-C4'-P energy: -111.694 tors. eta vs tors. theta energy: -216.110 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: 115 Temperature: 1.000000 Total energy: -2599.219363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.219363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.219363 (E_RNA) where: Base-Base interactions energy: -1799.401 where: short stacking energy: -742.298 Base-Backbone interact. energy: -4.648 local terms energy: -795.171075 where: bonds (distance) C4'-P energy: -145.244 bonds (distance) P-C4' energy: -155.682 flat angles C4'-P-C4' energy: -173.562 flat angles P-C4'-P energy: -108.012 tors. eta vs tors. theta energy: -212.672 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: 4, replica: 7 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -2424.395111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.395111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.395111 (E_RNA) where: Base-Base interactions energy: -1671.412 where: short stacking energy: -693.694 Base-Backbone interact. energy: 0.330 local terms energy: -753.313502 where: bonds (distance) C4'-P energy: -144.887 bonds (distance) P-C4' energy: -167.549 flat angles C4'-P-C4' energy: -154.435 flat angles P-C4'-P energy: -108.186 tors. eta vs tors. theta energy: -178.256 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: 5, replica: 5 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -2412.877956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.877956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.877956 (E_RNA) where: Base-Base interactions energy: -1636.257 where: short stacking energy: -699.574 Base-Backbone interact. energy: -2.244 local terms energy: -774.376985 where: bonds (distance) C4'-P energy: -140.423 bonds (distance) P-C4' energy: -164.660 flat angles C4'-P-C4' energy: -177.639 flat angles P-C4'-P energy: -101.091 tors. eta vs tors. theta energy: -190.565 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: 6, replica: 9 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -2028.871726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.871726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.871726 (E_RNA) where: Base-Base interactions energy: -1349.921 where: short stacking energy: -591.761 Base-Backbone interact. energy: -0.278 local terms energy: -678.673465 where: bonds (distance) C4'-P energy: -147.822 bonds (distance) P-C4' energy: -158.693 flat angles C4'-P-C4' energy: -137.590 flat angles P-C4'-P energy: -84.947 tors. eta vs tors. theta energy: -149.621 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: 7, replica: 6 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -2027.740562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.740562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.740562 (E_RNA) where: Base-Base interactions energy: -1383.592 where: short stacking energy: -630.986 Base-Backbone interact. energy: -0.528 local terms energy: -643.620209 where: bonds (distance) C4'-P energy: -114.753 bonds (distance) P-C4' energy: -137.319 flat angles C4'-P-C4' energy: -138.205 flat angles P-C4'-P energy: -92.715 tors. eta vs tors. theta energy: -160.627 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: 8, replica: 2 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1721.944035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.944035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.944035 (E_RNA) where: Base-Base interactions energy: -1134.067 where: short stacking energy: -518.508 Base-Backbone interact. energy: -3.889 local terms energy: -583.988406 where: bonds (distance) C4'-P energy: -109.159 bonds (distance) P-C4' energy: -145.887 flat angles C4'-P-C4' energy: -134.202 flat angles P-C4'-P energy: -89.421 tors. eta vs tors. theta energy: -105.319 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: 3 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -1326.701163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.701163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.701163 (E_RNA) where: Base-Base interactions energy: -811.523 where: short stacking energy: -387.748 Base-Backbone interact. energy: -3.002 local terms energy: -512.175776 where: bonds (distance) C4'-P energy: -134.149 bonds (distance) P-C4' energy: -122.587 flat angles C4'-P-C4' energy: -127.434 flat angles P-C4'-P energy: -79.468 tors. eta vs tors. theta energy: -48.538 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: 10, replica: 1 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -772.505188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.505188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.505188 (E_RNA) where: Base-Base interactions energy: -358.269 where: short stacking energy: -213.799 Base-Backbone interact. energy: -3.054 local terms energy: -411.182481 where: bonds (distance) C4'-P energy: -137.035 bonds (distance) P-C4' energy: -122.916 flat angles C4'-P-C4' energy: -103.394 flat angles P-C4'-P energy: -64.095 tors. eta vs tors. theta energy: 16.257 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: 8 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -2786.095422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.095422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.095422 (E_RNA) where: Base-Base interactions energy: -1923.231 where: short stacking energy: -844.311 Base-Backbone interact. energy: -6.790 local terms energy: -856.073707 where: bonds (distance) C4'-P energy: -144.862 bonds (distance) P-C4' energy: -175.768 flat angles C4'-P-C4' energy: -174.269 flat angles P-C4'-P energy: -115.879 tors. eta vs tors. theta energy: -245.295 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: 2, replica: 10 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2615.356643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.356643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.356643 (E_RNA) where: Base-Base interactions energy: -1779.782 where: short stacking energy: -779.381 Base-Backbone interact. energy: -5.560 local terms energy: -830.014732 where: bonds (distance) C4'-P energy: -151.564 bonds (distance) P-C4' energy: -160.074 flat angles C4'-P-C4' energy: -186.233 flat angles P-C4'-P energy: -119.479 tors. eta vs tors. theta energy: -212.666 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: 4 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -2594.792781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.792781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.792781 (E_RNA) where: Base-Base interactions energy: -1815.238 where: short stacking energy: -762.995 Base-Backbone interact. energy: 0.323 local terms energy: -779.878549 where: bonds (distance) C4'-P energy: -158.017 bonds (distance) P-C4' energy: -152.815 flat angles C4'-P-C4' energy: -169.046 flat angles P-C4'-P energy: -99.598 tors. eta vs tors. theta energy: -200.402 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: 7 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -2414.712948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.712948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.712948 (E_RNA) where: Base-Base interactions energy: -1660.950 where: short stacking energy: -722.462 Base-Backbone interact. energy: -0.433 local terms energy: -753.329708 where: bonds (distance) C4'-P energy: -146.222 bonds (distance) P-C4' energy: -145.282 flat angles C4'-P-C4' energy: -162.165 flat angles P-C4'-P energy: -105.648 tors. eta vs tors. theta energy: -194.013 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: 5, replica: 5 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -2356.252068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.252068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.252068 (E_RNA) where: Base-Base interactions energy: -1629.557 where: short stacking energy: -712.308 Base-Backbone interact. energy: -2.457 local terms energy: -724.238169 where: bonds (distance) C4'-P energy: -132.336 bonds (distance) P-C4' energy: -129.229 flat angles C4'-P-C4' energy: -171.022 flat angles P-C4'-P energy: -101.091 tors. eta vs tors. theta energy: -190.560 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: 6, replica: 9 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -2066.105099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.105099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.105099 (E_RNA) where: Base-Base interactions energy: -1396.973 where: short stacking energy: -591.125 Base-Backbone interact. energy: -1.282 local terms energy: -667.850230 where: bonds (distance) C4'-P energy: -116.970 bonds (distance) P-C4' energy: -146.044 flat angles C4'-P-C4' energy: -154.867 flat angles P-C4'-P energy: -105.021 tors. eta vs tors. theta energy: -144.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -2033.083601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.083601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.083601 (E_RNA) where: Base-Base interactions energy: -1371.681 where: short stacking energy: -601.935 Base-Backbone interact. energy: -0.608 local terms energy: -660.795004 where: bonds (distance) C4'-P energy: -129.032 bonds (distance) P-C4' energy: -132.293 flat angles C4'-P-C4' energy: -158.121 flat angles P-C4'-P energy: -76.978 tors. eta vs tors. theta energy: -164.371 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: 8, replica: 2 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1738.378963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.378963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.378963 (E_RNA) where: Base-Base interactions energy: -1150.839 where: short stacking energy: -502.672 Base-Backbone interact. energy: -3.473 local terms energy: -584.067245 where: bonds (distance) C4'-P energy: -137.781 bonds (distance) P-C4' energy: -148.101 flat angles C4'-P-C4' energy: -118.352 flat angles P-C4'-P energy: -87.653 tors. eta vs tors. theta energy: -92.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -1361.989657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.989657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.989657 (E_RNA) where: Base-Base interactions energy: -858.629 where: short stacking energy: -415.926 Base-Backbone interact. energy: 2.120 local terms energy: -505.481262 where: bonds (distance) C4'-P energy: -138.177 bonds (distance) P-C4' energy: -130.003 flat angles C4'-P-C4' energy: -126.305 flat angles P-C4'-P energy: -41.211 tors. eta vs tors. theta energy: -69.785 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: 10, replica: 1 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -718.144554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.144554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.144554 (E_RNA) where: Base-Base interactions energy: -296.284 where: short stacking energy: -206.340 Base-Backbone interact. energy: 5.546 local terms energy: -427.406153 where: bonds (distance) C4'-P energy: -115.797 bonds (distance) P-C4' energy: -144.574 flat angles C4'-P-C4' energy: -137.613 flat angles P-C4'-P energy: -50.148 tors. eta vs tors. theta energy: 20.726 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: 1, replica: 8 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -2782.791577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.791577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.791577 (E_RNA) where: Base-Base interactions energy: -1889.150 where: short stacking energy: -814.079 Base-Backbone interact. energy: -2.984 local terms energy: -890.656695 where: bonds (distance) C4'-P energy: -160.870 bonds (distance) P-C4' energy: -175.889 flat angles C4'-P-C4' energy: -182.911 flat angles P-C4'-P energy: -117.229 tors. eta vs tors. theta energy: -253.758 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: 117 Temperature: 0.950000 Total energy: -2677.640681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.640681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.640681 (E_RNA) where: Base-Base interactions energy: -1848.614 where: short stacking energy: -770.149 Base-Backbone interact. energy: -3.083 local terms energy: -825.944045 where: bonds (distance) C4'-P energy: -169.346 bonds (distance) P-C4' energy: -148.776 flat angles C4'-P-C4' energy: -181.754 flat angles P-C4'-P energy: -126.628 tors. eta vs tors. theta energy: -199.441 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: 3, replica: 10 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -2544.577830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.577830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.577830 (E_RNA) where: Base-Base interactions energy: -1737.460 where: short stacking energy: -748.406 Base-Backbone interact. energy: -2.657 local terms energy: -804.461177 where: bonds (distance) C4'-P energy: -153.490 bonds (distance) P-C4' energy: -161.054 flat angles C4'-P-C4' energy: -175.933 flat angles P-C4'-P energy: -108.496 tors. eta vs tors. theta energy: -205.489 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: 7 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -2471.563188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.563188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.563188 (E_RNA) where: Base-Base interactions energy: -1697.768 where: short stacking energy: -743.784 Base-Backbone interact. energy: -0.354 local terms energy: -773.441448 where: bonds (distance) C4'-P energy: -138.247 bonds (distance) P-C4' energy: -148.353 flat angles C4'-P-C4' energy: -175.851 flat angles P-C4'-P energy: -109.275 tors. eta vs tors. theta energy: -201.716 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: 5 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -2338.035617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.035617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.035617 (E_RNA) where: Base-Base interactions energy: -1633.830 where: short stacking energy: -675.475 Base-Backbone interact. energy: -3.434 local terms energy: -700.771689 where: bonds (distance) C4'-P energy: -139.123 bonds (distance) P-C4' energy: -145.903 flat angles C4'-P-C4' energy: -153.638 flat angles P-C4'-P energy: -84.996 tors. eta vs tors. theta energy: -177.111 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: 6, replica: 9 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -2040.650805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.650805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.650805 (E_RNA) where: Base-Base interactions energy: -1349.188 where: short stacking energy: -558.070 Base-Backbone interact. energy: -2.007 local terms energy: -689.455617 where: bonds (distance) C4'-P energy: -142.223 bonds (distance) P-C4' energy: -152.757 flat angles C4'-P-C4' energy: -159.297 flat angles P-C4'-P energy: -102.704 tors. eta vs tors. theta energy: -132.474 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: 7, replica: 6 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1962.557434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.557434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.557434 (E_RNA) where: Base-Base interactions energy: -1299.771 where: short stacking energy: -581.304 Base-Backbone interact. energy: 2.719 local terms energy: -665.504853 where: bonds (distance) C4'-P energy: -143.833 bonds (distance) P-C4' energy: -135.112 flat angles C4'-P-C4' energy: -137.669 flat angles P-C4'-P energy: -98.595 tors. eta vs tors. theta energy: -150.296 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: 8, replica: 2 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1718.722166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.722166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.722166 (E_RNA) where: Base-Base interactions energy: -1129.667 where: short stacking energy: -492.723 Base-Backbone interact. energy: 8.474 local terms energy: -597.529881 where: bonds (distance) C4'-P energy: -143.160 bonds (distance) P-C4' energy: -142.438 flat angles C4'-P-C4' energy: -137.765 flat angles P-C4'-P energy: -74.129 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: 3 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -1175.704498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.704498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.704498 (E_RNA) where: Base-Base interactions energy: -702.145 where: short stacking energy: -334.970 Base-Backbone interact. energy: 0.608 local terms energy: -474.167365 where: bonds (distance) C4'-P energy: -128.232 bonds (distance) P-C4' energy: -128.934 flat angles C4'-P-C4' energy: -127.313 flat angles P-C4'-P energy: -59.686 tors. eta vs tors. theta energy: -30.003 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: 10, replica: 1 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -708.148181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.148181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.148181 (E_RNA) where: Base-Base interactions energy: -319.964 where: short stacking energy: -217.948 Base-Backbone interact. energy: 9.237 local terms energy: -397.421484 where: bonds (distance) C4'-P energy: -117.407 bonds (distance) P-C4' energy: -123.764 flat angles C4'-P-C4' energy: -115.301 flat angles P-C4'-P energy: -53.696 tors. eta vs tors. theta energy: 12.747 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: 1, replica: 8 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -2776.523834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.523834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.523834 (E_RNA) where: Base-Base interactions energy: -1876.441 where: short stacking energy: -825.519 Base-Backbone interact. energy: -1.327 local terms energy: -898.755726 where: bonds (distance) C4'-P energy: -155.577 bonds (distance) P-C4' energy: -159.474 flat angles C4'-P-C4' energy: -198.264 flat angles P-C4'-P energy: -144.749 tors. eta vs tors. theta energy: -240.691 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: 2, replica: 4 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -2684.450793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.450793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.450793 (E_RNA) where: Base-Base interactions energy: -1870.558 where: short stacking energy: -805.046 Base-Backbone interact. energy: -3.054 local terms energy: -810.838487 where: bonds (distance) C4'-P energy: -147.003 bonds (distance) P-C4' energy: -156.875 flat angles C4'-P-C4' energy: -175.767 flat angles P-C4'-P energy: -116.818 tors. eta vs tors. theta energy: -214.376 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: 3, replica: 10 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -2496.125557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.125557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.125557 (E_RNA) where: Base-Base interactions energy: -1747.290 where: short stacking energy: -752.563 Base-Backbone interact. energy: -3.906 local terms energy: -744.929501 where: bonds (distance) C4'-P energy: -148.316 bonds (distance) P-C4' energy: -140.047 flat angles C4'-P-C4' energy: -166.091 flat angles P-C4'-P energy: -101.475 tors. eta vs tors. theta energy: -189.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -2470.173036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.173036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.173036 (E_RNA) where: Base-Base interactions energy: -1688.832 where: short stacking energy: -712.859 Base-Backbone interact. energy: 0.438 local terms energy: -781.778924 where: bonds (distance) C4'-P energy: -155.714 bonds (distance) P-C4' energy: -153.082 flat angles C4'-P-C4' energy: -171.156 flat angles P-C4'-P energy: -99.805 tors. eta vs tors. theta energy: -202.022 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: 5, replica: 5 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -2340.180405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.180405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.180405 (E_RNA) where: Base-Base interactions energy: -1595.313 where: short stacking energy: -637.402 Base-Backbone interact. energy: -6.555 local terms energy: -738.312238 where: bonds (distance) C4'-P energy: -155.044 bonds (distance) P-C4' energy: -160.486 flat angles C4'-P-C4' energy: -151.209 flat angles P-C4'-P energy: -98.060 tors. eta vs tors. theta energy: -173.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -2047.296322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.296322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.296322 (E_RNA) where: Base-Base interactions energy: -1365.868 where: short stacking energy: -608.172 Base-Backbone interact. energy: -1.320 local terms energy: -680.107613 where: bonds (distance) C4'-P energy: -130.747 bonds (distance) P-C4' energy: -150.796 flat angles C4'-P-C4' energy: -155.864 flat angles P-C4'-P energy: -92.466 tors. eta vs tors. theta energy: -150.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -2068.446363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.446363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.446363 (E_RNA) where: Base-Base interactions energy: -1419.094 where: short stacking energy: -605.069 Base-Backbone interact. energy: 1.594 local terms energy: -650.946347 where: bonds (distance) C4'-P energy: -125.970 bonds (distance) P-C4' energy: -139.030 flat angles C4'-P-C4' energy: -156.021 flat angles P-C4'-P energy: -88.320 tors. eta vs tors. theta energy: -141.606 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: 2 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1687.489240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.489240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.489240 (E_RNA) where: Base-Base interactions energy: -1082.111 where: short stacking energy: -504.727 Base-Backbone interact. energy: -1.095 local terms energy: -604.283637 where: bonds (distance) C4'-P energy: -126.404 bonds (distance) P-C4' energy: -147.323 flat angles C4'-P-C4' energy: -139.763 flat angles P-C4'-P energy: -91.773 tors. eta vs tors. theta energy: -99.022 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: 3 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -1238.409927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.409927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.409927 (E_RNA) where: Base-Base interactions energy: -736.535 where: short stacking energy: -369.818 Base-Backbone interact. energy: -1.006 local terms energy: -500.868903 where: bonds (distance) C4'-P energy: -117.459 bonds (distance) P-C4' energy: -154.872 flat angles C4'-P-C4' energy: -114.382 flat angles P-C4'-P energy: -62.482 tors. eta vs tors. theta energy: -51.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -705.282756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.282756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.282756 (E_RNA) where: Base-Base interactions energy: -346.186 where: short stacking energy: -206.806 Base-Backbone interact. energy: -3.281 local terms energy: -355.816096 where: bonds (distance) C4'-P energy: -91.954 bonds (distance) P-C4' energy: -142.996 flat angles C4'-P-C4' energy: -117.151 flat angles P-C4'-P energy: -45.225 tors. eta vs tors. theta energy: 41.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -2844.951163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.951163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.951163 (E_RNA) where: Base-Base interactions energy: -1960.510 where: short stacking energy: -863.100 Base-Backbone interact. energy: -4.938 local terms energy: -879.503024 where: bonds (distance) C4'-P energy: -159.160 bonds (distance) P-C4' energy: -171.012 flat angles C4'-P-C4' energy: -181.792 flat angles P-C4'-P energy: -120.938 tors. eta vs tors. theta energy: -246.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -2673.697654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.697654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.697654 (E_RNA) where: Base-Base interactions energy: -1865.210 where: short stacking energy: -800.366 Base-Backbone interact. energy: -2.447 local terms energy: -806.040300 where: bonds (distance) C4'-P energy: -148.507 bonds (distance) P-C4' energy: -148.167 flat angles C4'-P-C4' energy: -183.590 flat angles P-C4'-P energy: -114.999 tors. eta vs tors. theta energy: -210.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -2488.399907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.399907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.399907 (E_RNA) where: Base-Base interactions energy: -1723.223 where: short stacking energy: -761.448 Base-Backbone interact. energy: -5.851 local terms energy: -759.325995 where: bonds (distance) C4'-P energy: -153.244 bonds (distance) P-C4' energy: -143.520 flat angles C4'-P-C4' energy: -171.078 flat angles P-C4'-P energy: -110.660 tors. eta vs tors. theta energy: -180.824 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: 4, replica: 7 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -2429.421058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.421058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.421058 (E_RNA) where: Base-Base interactions energy: -1649.252 where: short stacking energy: -732.800 Base-Backbone interact. energy: 2.916 local terms energy: -783.085337 where: bonds (distance) C4'-P energy: -147.182 bonds (distance) P-C4' energy: -156.001 flat angles C4'-P-C4' energy: -162.247 flat angles P-C4'-P energy: -112.147 tors. eta vs tors. theta energy: -205.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -2332.149354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.149354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.149354 (E_RNA) where: Base-Base interactions energy: -1611.155 where: short stacking energy: -664.324 Base-Backbone interact. energy: -2.139 local terms energy: -718.856038 where: bonds (distance) C4'-P energy: -138.694 bonds (distance) P-C4' energy: -145.350 flat angles C4'-P-C4' energy: -159.862 flat angles P-C4'-P energy: -91.668 tors. eta vs tors. theta energy: -183.282 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: 6, replica: 9 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -2049.265029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.265029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.265029 (E_RNA) where: Base-Base interactions energy: -1383.683 where: short stacking energy: -590.981 Base-Backbone interact. energy: 1.647 local terms energy: -667.229061 where: bonds (distance) C4'-P energy: -140.687 bonds (distance) P-C4' energy: -162.945 flat angles C4'-P-C4' energy: -138.452 flat angles P-C4'-P energy: -72.857 tors. eta vs tors. theta energy: -152.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -2036.678367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.678367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.678367 (E_RNA) where: Base-Base interactions energy: -1413.379 where: short stacking energy: -587.630 Base-Backbone interact. energy: -2.735 local terms energy: -620.564046 where: bonds (distance) C4'-P energy: -128.591 bonds (distance) P-C4' energy: -126.664 flat angles C4'-P-C4' energy: -149.860 flat angles P-C4'-P energy: -71.280 tors. eta vs tors. theta energy: -144.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1605.262728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.262728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.262728 (E_RNA) where: Base-Base interactions energy: -1039.160 where: short stacking energy: -472.277 Base-Backbone interact. energy: -0.181 local terms energy: -565.921614 where: bonds (distance) C4'-P energy: -138.204 bonds (distance) P-C4' energy: -124.568 flat angles C4'-P-C4' energy: -152.298 flat angles P-C4'-P energy: -76.538 tors. eta vs tors. theta energy: -74.313 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: 9, replica: 3 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -1271.665266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.665266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.665266 (E_RNA) where: Base-Base interactions energy: -760.076 where: short stacking energy: -391.230 Base-Backbone interact. energy: 6.001 local terms energy: -517.590070 where: bonds (distance) C4'-P energy: -115.998 bonds (distance) P-C4' energy: -123.446 flat angles C4'-P-C4' energy: -145.689 flat angles P-C4'-P energy: -88.072 tors. eta vs tors. theta energy: -44.385 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: 1 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -671.006785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.006785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.006785 (E_RNA) where: Base-Base interactions energy: -264.810 where: short stacking energy: -197.311 Base-Backbone interact. energy: 1.802 local terms energy: -407.999400 where: bonds (distance) C4'-P energy: -120.303 bonds (distance) P-C4' energy: -137.159 flat angles C4'-P-C4' energy: -103.852 flat angles P-C4'-P energy: -74.912 tors. eta vs tors. theta energy: 28.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -2812.555977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.555977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.555977 (E_RNA) where: Base-Base interactions energy: -1946.533 where: short stacking energy: -844.116 Base-Backbone interact. energy: -4.830 local terms energy: -861.193251 where: bonds (distance) C4'-P energy: -155.362 bonds (distance) P-C4' energy: -157.739 flat angles C4'-P-C4' energy: -187.440 flat angles P-C4'-P energy: -116.771 tors. eta vs tors. theta energy: -243.882 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: 2, replica: 4 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -2687.222934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.222934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.222934 (E_RNA) where: Base-Base interactions energy: -1866.252 where: short stacking energy: -784.224 Base-Backbone interact. energy: -3.180 local terms energy: -817.790503 where: bonds (distance) C4'-P energy: -163.232 bonds (distance) P-C4' energy: -165.476 flat angles C4'-P-C4' energy: -173.267 flat angles P-C4'-P energy: -106.250 tors. eta vs tors. theta energy: -209.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -2480.321623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.321623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.321623 (E_RNA) where: Base-Base interactions energy: -1704.808 where: short stacking energy: -750.448 Base-Backbone interact. energy: -2.279 local terms energy: -773.235214 where: bonds (distance) C4'-P energy: -139.293 bonds (distance) P-C4' energy: -152.389 flat angles C4'-P-C4' energy: -178.481 flat angles P-C4'-P energy: -114.639 tors. eta vs tors. theta energy: -188.433 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: 7 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -2439.209988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.209988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.209988 (E_RNA) where: Base-Base interactions energy: -1697.739 where: short stacking energy: -720.220 Base-Backbone interact. energy: -4.820 local terms energy: -736.650380 where: bonds (distance) C4'-P energy: -152.094 bonds (distance) P-C4' energy: -121.205 flat angles C4'-P-C4' energy: -164.262 flat angles P-C4'-P energy: -111.008 tors. eta vs tors. theta energy: -188.082 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: 5 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -2393.948557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.948557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.948557 (E_RNA) where: Base-Base interactions energy: -1642.438 where: short stacking energy: -681.340 Base-Backbone interact. energy: -3.090 local terms energy: -748.419972 where: bonds (distance) C4'-P energy: -148.769 bonds (distance) P-C4' energy: -130.497 flat angles C4'-P-C4' energy: -165.781 flat angles P-C4'-P energy: -113.377 tors. eta vs tors. theta energy: -189.996 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: 120 Temperature: 1.150000 Total energy: -2103.932896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.932896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.932896 (E_RNA) where: Base-Base interactions energy: -1389.977 where: short stacking energy: -613.007 Base-Backbone interact. energy: -1.604 local terms energy: -712.352479 where: bonds (distance) C4'-P energy: -147.737 bonds (distance) P-C4' energy: -137.747 flat angles C4'-P-C4' energy: -154.263 flat angles P-C4'-P energy: -112.162 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: 7, replica: 6 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -2026.611298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.611298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.611298 (E_RNA) where: Base-Base interactions energy: -1372.957 where: short stacking energy: -607.485 Base-Backbone interact. energy: -3.654 local terms energy: -650.000457 where: bonds (distance) C4'-P energy: -124.371 bonds (distance) P-C4' energy: -144.251 flat angles C4'-P-C4' energy: -139.806 flat angles P-C4'-P energy: -97.258 tors. eta vs tors. theta energy: -144.314 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: 2 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1607.152483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.152483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.152483 (E_RNA) where: Base-Base interactions energy: -989.888 where: short stacking energy: -494.410 Base-Backbone interact. energy: -4.697 local terms energy: -612.567716 where: bonds (distance) C4'-P energy: -126.888 bonds (distance) P-C4' energy: -136.073 flat angles C4'-P-C4' energy: -143.335 flat angles P-C4'-P energy: -99.151 tors. eta vs tors. theta energy: -107.121 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: 9, replica: 3 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -1375.411284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.411284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.411284 (E_RNA) where: Base-Base interactions energy: -797.308 where: short stacking energy: -361.214 Base-Backbone interact. energy: -3.282 local terms energy: -574.820886 where: bonds (distance) C4'-P energy: -140.002 bonds (distance) P-C4' energy: -151.336 flat angles C4'-P-C4' energy: -145.961 flat angles P-C4'-P energy: -80.175 tors. eta vs tors. theta energy: -57.347 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: 10, replica: 1 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -623.415148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.415148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.415148 (E_RNA) where: Base-Base interactions energy: -256.287 where: short stacking energy: -183.030 Base-Backbone interact. energy: -2.742 local terms energy: -364.387037 where: bonds (distance) C4'-P energy: -126.779 bonds (distance) P-C4' energy: -134.846 flat angles C4'-P-C4' energy: -104.829 flat angles P-C4'-P energy: -56.408 tors. eta vs tors. theta energy: 58.475 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: 1, replica: 8 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -2804.098011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.098011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.098011 (E_RNA) where: Base-Base interactions energy: -1940.617 where: short stacking energy: -863.666 Base-Backbone interact. energy: -4.432 local terms energy: -859.048437 where: bonds (distance) C4'-P energy: -152.216 bonds (distance) P-C4' energy: -154.742 flat angles C4'-P-C4' energy: -179.774 flat angles P-C4'-P energy: -127.846 tors. eta vs tors. theta energy: -244.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -2693.996305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.996305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.996305 (E_RNA) where: Base-Base interactions energy: -1873.538 where: short stacking energy: -803.909 Base-Backbone interact. energy: -4.171 local terms energy: -816.287469 where: bonds (distance) C4'-P energy: -150.603 bonds (distance) P-C4' energy: -167.403 flat angles C4'-P-C4' energy: -171.185 flat angles P-C4'-P energy: -112.549 tors. eta vs tors. theta energy: -214.547 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: 10 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -2490.753330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.753330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.753330 (E_RNA) where: Base-Base interactions energy: -1715.706 where: short stacking energy: -740.535 Base-Backbone interact. energy: -3.425 local terms energy: -771.622341 where: bonds (distance) C4'-P energy: -131.126 bonds (distance) P-C4' energy: -156.844 flat angles C4'-P-C4' energy: -185.396 flat angles P-C4'-P energy: -99.170 tors. eta vs tors. theta energy: -199.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -2422.645063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.645063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.645063 (E_RNA) where: Base-Base interactions energy: -1668.914 where: short stacking energy: -738.811 Base-Backbone interact. energy: -0.777 local terms energy: -752.954553 where: bonds (distance) C4'-P energy: -135.478 bonds (distance) P-C4' energy: -150.511 flat angles C4'-P-C4' energy: -174.438 flat angles P-C4'-P energy: -89.678 tors. eta vs tors. theta energy: -202.849 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: 5, replica: 5 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -2322.115185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.115185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.115185 (E_RNA) where: Base-Base interactions energy: -1622.321 where: short stacking energy: -686.034 Base-Backbone interact. energy: -4.885 local terms energy: -694.908824 where: bonds (distance) C4'-P energy: -139.049 bonds (distance) P-C4' energy: -144.876 flat angles C4'-P-C4' energy: -139.133 flat angles P-C4'-P energy: -88.576 tors. eta vs tors. theta energy: -183.274 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: 9 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -2080.194805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.194805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.194805 (E_RNA) where: Base-Base interactions energy: -1396.688 where: short stacking energy: -618.479 Base-Backbone interact. energy: -2.046 local terms energy: -681.461142 where: bonds (distance) C4'-P energy: -124.572 bonds (distance) P-C4' energy: -148.678 flat angles C4'-P-C4' energy: -151.624 flat angles P-C4'-P energy: -103.737 tors. eta vs tors. theta energy: -152.850 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: 7, replica: 6 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -2043.934744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.934744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.934744 (E_RNA) where: Base-Base interactions energy: -1382.035 where: short stacking energy: -565.485 Base-Backbone interact. energy: -3.817 local terms energy: -658.082342 where: bonds (distance) C4'-P energy: -130.968 bonds (distance) P-C4' energy: -137.182 flat angles C4'-P-C4' energy: -155.283 flat angles P-C4'-P energy: -88.232 tors. eta vs tors. theta energy: -146.417 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: 8, replica: 2 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1625.724780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.724780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.724780 (E_RNA) where: Base-Base interactions energy: -1043.257 where: short stacking energy: -481.918 Base-Backbone interact. energy: -1.996 local terms energy: -580.471722 where: bonds (distance) C4'-P energy: -152.063 bonds (distance) P-C4' energy: -135.688 flat angles C4'-P-C4' energy: -131.601 flat angles P-C4'-P energy: -71.099 tors. eta vs tors. theta energy: -90.020 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: 9, replica: 3 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -1344.702382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.702382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.702382 (E_RNA) where: Base-Base interactions energy: -839.624 where: short stacking energy: -391.151 Base-Backbone interact. energy: 1.468 local terms energy: -506.546350 where: bonds (distance) C4'-P energy: -120.662 bonds (distance) P-C4' energy: -108.391 flat angles C4'-P-C4' energy: -144.844 flat angles P-C4'-P energy: -74.939 tors. eta vs tors. theta energy: -57.711 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: 10, replica: 1 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -692.224282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.224282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.224282 (E_RNA) where: Base-Base interactions energy: -272.781 where: short stacking energy: -160.129 Base-Backbone interact. energy: 4.134 local terms energy: -423.576522 where: bonds (distance) C4'-P energy: -117.639 bonds (distance) P-C4' energy: -147.964 flat angles C4'-P-C4' energy: -104.213 flat angles P-C4'-P energy: -68.480 tors. eta vs tors. theta energy: 14.718 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: 122 Temperature: 0.900000 Total energy: -2784.575049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.575049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.575049 (E_RNA) where: Base-Base interactions energy: -1904.438 where: short stacking energy: -843.332 Base-Backbone interact. energy: -3.024 local terms energy: -877.113258 where: bonds (distance) C4'-P energy: -160.269 bonds (distance) P-C4' energy: -165.577 flat angles C4'-P-C4' energy: -192.083 flat angles P-C4'-P energy: -120.091 tors. eta vs tors. theta energy: -239.093 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: 4 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -2681.640591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.640591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.640591 (E_RNA) where: Base-Base interactions energy: -1880.066 where: short stacking energy: -790.330 Base-Backbone interact. energy: -3.298 local terms energy: -798.276154 where: bonds (distance) C4'-P energy: -162.308 bonds (distance) P-C4' energy: -150.408 flat angles C4'-P-C4' energy: -158.539 flat angles P-C4'-P energy: -110.471 tors. eta vs tors. theta energy: -216.550 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: 10 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -2547.255803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.255803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.255803 (E_RNA) where: Base-Base interactions energy: -1760.778 where: short stacking energy: -762.865 Base-Backbone interact. energy: -4.221 local terms energy: -782.256003 where: bonds (distance) C4'-P energy: -151.710 bonds (distance) P-C4' energy: -151.387 flat angles C4'-P-C4' energy: -174.245 flat angles P-C4'-P energy: -109.464 tors. eta vs tors. theta energy: -195.451 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: 4, replica: 7 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -2405.978069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.978069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.978069 (E_RNA) where: Base-Base interactions energy: -1624.042 where: short stacking energy: -714.377 Base-Backbone interact. energy: 0.739 local terms energy: -782.675558 where: bonds (distance) C4'-P energy: -163.487 bonds (distance) P-C4' energy: -158.139 flat angles C4'-P-C4' energy: -165.420 flat angles P-C4'-P energy: -107.065 tors. eta vs tors. theta energy: -188.564 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: 5, replica: 5 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -2317.409984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.409984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.409984 (E_RNA) where: Base-Base interactions energy: -1591.892 where: short stacking energy: -658.504 Base-Backbone interact. energy: -1.346 local terms energy: -724.172774 where: bonds (distance) C4'-P energy: -138.563 bonds (distance) P-C4' energy: -155.878 flat angles C4'-P-C4' energy: -163.435 flat angles P-C4'-P energy: -103.598 tors. eta vs tors. theta energy: -162.698 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: 6, replica: 9 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -2049.922680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.922680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.922680 (E_RNA) where: Base-Base interactions energy: -1368.845 where: short stacking energy: -604.205 Base-Backbone interact. energy: -1.961 local terms energy: -679.116510 where: bonds (distance) C4'-P energy: -150.299 bonds (distance) P-C4' energy: -140.342 flat angles C4'-P-C4' energy: -143.821 flat angles P-C4'-P energy: -93.401 tors. eta vs tors. theta energy: -151.253 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: 6 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1993.107425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.107425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.107425 (E_RNA) where: Base-Base interactions energy: -1395.693 where: short stacking energy: -619.035 Base-Backbone interact. energy: 5.550 local terms energy: -602.964138 where: bonds (distance) C4'-P energy: -107.198 bonds (distance) P-C4' energy: -112.788 flat angles C4'-P-C4' energy: -149.432 flat angles P-C4'-P energy: -75.324 tors. eta vs tors. theta energy: -158.223 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: 8, replica: 2 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1577.794303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.794303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.794303 (E_RNA) where: Base-Base interactions energy: -1018.378 where: short stacking energy: -484.353 Base-Backbone interact. energy: 3.127 local terms energy: -562.543067 where: bonds (distance) C4'-P energy: -125.925 bonds (distance) P-C4' energy: -127.628 flat angles C4'-P-C4' energy: -124.456 flat angles P-C4'-P energy: -83.087 tors. eta vs tors. theta energy: -101.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -1280.051691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.051691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.051691 (E_RNA) where: Base-Base interactions energy: -746.604 where: short stacking energy: -359.531 Base-Backbone interact. energy: 3.328 local terms energy: -536.775248 where: bonds (distance) C4'-P energy: -142.607 bonds (distance) P-C4' energy: -126.132 flat angles C4'-P-C4' energy: -132.939 flat angles P-C4'-P energy: -92.643 tors. eta vs tors. theta energy: -42.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -704.597089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.597089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.597089 (E_RNA) where: Base-Base interactions energy: -317.177 where: short stacking energy: -230.060 Base-Backbone interact. energy: -2.160 local terms energy: -385.259958 where: bonds (distance) C4'-P energy: -125.599 bonds (distance) P-C4' energy: -113.199 flat angles C4'-P-C4' energy: -104.993 flat angles P-C4'-P energy: -59.976 tors. eta vs tors. theta energy: 18.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -2799.588947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.588947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.588947 (E_RNA) where: Base-Base interactions energy: -1929.121 where: short stacking energy: -839.229 Base-Backbone interact. energy: -5.266 local terms energy: -865.201858 where: bonds (distance) C4'-P energy: -149.951 bonds (distance) P-C4' energy: -160.518 flat angles C4'-P-C4' energy: -191.060 flat angles P-C4'-P energy: -121.452 tors. eta vs tors. theta energy: -242.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -2691.364248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.364248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.364248 (E_RNA) where: Base-Base interactions energy: -1862.170 where: short stacking energy: -810.368 Base-Backbone interact. energy: -6.074 local terms energy: -823.120159 where: bonds (distance) C4'-P energy: -153.216 bonds (distance) P-C4' energy: -151.201 flat angles C4'-P-C4' energy: -170.857 flat angles P-C4'-P energy: -119.394 tors. eta vs tors. theta energy: -228.453 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: 10 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -2568.843344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.843344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.843344 (E_RNA) where: Base-Base interactions energy: -1783.683 where: short stacking energy: -770.968 Base-Backbone interact. energy: 5.406 local terms energy: -790.567008 where: bonds (distance) C4'-P energy: -139.025 bonds (distance) P-C4' energy: -158.959 flat angles C4'-P-C4' energy: -174.015 flat angles P-C4'-P energy: -118.975 tors. eta vs tors. theta energy: -199.592 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: 7 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -2454.491318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.491318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.491318 (E_RNA) where: Base-Base interactions energy: -1649.434 where: short stacking energy: -733.359 Base-Backbone interact. energy: -1.621 local terms energy: -803.436151 where: bonds (distance) C4'-P energy: -145.056 bonds (distance) P-C4' energy: -158.164 flat angles C4'-P-C4' energy: -182.873 flat angles P-C4'-P energy: -108.096 tors. eta vs tors. theta energy: -209.246 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: 5 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -2363.234395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.234395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.234395 (E_RNA) where: Base-Base interactions energy: -1633.008 where: short stacking energy: -693.699 Base-Backbone interact. energy: -4.367 local terms energy: -725.859241 where: bonds (distance) C4'-P energy: -144.097 bonds (distance) P-C4' energy: -145.386 flat angles C4'-P-C4' energy: -167.441 flat angles P-C4'-P energy: -106.041 tors. eta vs tors. theta energy: -162.895 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: 6 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -2095.880195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.880195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.880195 (E_RNA) where: Base-Base interactions energy: -1404.858 where: short stacking energy: -645.921 Base-Backbone interact. energy: -0.148 local terms energy: -690.873711 where: bonds (distance) C4'-P energy: -142.625 bonds (distance) P-C4' energy: -133.718 flat angles C4'-P-C4' energy: -149.116 flat angles P-C4'-P energy: -101.817 tors. eta vs tors. theta energy: -163.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -2014.784447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.784447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.784447 (E_RNA) where: Base-Base interactions energy: -1359.383 where: short stacking energy: -590.172 Base-Backbone interact. energy: -0.839 local terms energy: -654.562494 where: bonds (distance) C4'-P energy: -122.371 bonds (distance) P-C4' energy: -130.926 flat angles C4'-P-C4' energy: -146.081 flat angles P-C4'-P energy: -94.078 tors. eta vs tors. theta energy: -161.107 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: 8, replica: 2 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1662.028787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.028787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.028787 (E_RNA) where: Base-Base interactions energy: -1099.254 where: short stacking energy: -504.354 Base-Backbone interact. energy: -3.795 local terms energy: -558.979970 where: bonds (distance) C4'-P energy: -108.734 bonds (distance) P-C4' energy: -118.756 flat angles C4'-P-C4' energy: -139.566 flat angles P-C4'-P energy: -86.396 tors. eta vs tors. theta energy: -105.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -1260.585773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.585773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.585773 (E_RNA) where: Base-Base interactions energy: -728.708 where: short stacking energy: -340.558 Base-Backbone interact. energy: -0.737 local terms energy: -531.141083 where: bonds (distance) C4'-P energy: -139.298 bonds (distance) P-C4' energy: -147.848 flat angles C4'-P-C4' energy: -138.042 flat angles P-C4'-P energy: -74.472 tors. eta vs tors. theta energy: -31.481 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: 1 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -708.300049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.300049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.300049 (E_RNA) where: Base-Base interactions energy: -312.298 where: short stacking energy: -223.404 Base-Backbone interact. energy: 3.877 local terms energy: -399.878907 where: bonds (distance) C4'-P energy: -114.381 bonds (distance) P-C4' energy: -134.872 flat angles C4'-P-C4' energy: -106.943 flat angles P-C4'-P energy: -60.892 tors. eta vs tors. theta energy: 17.208 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: 1, replica: 8 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -2793.898788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.898788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.898788 (E_RNA) where: Base-Base interactions energy: -1921.253 where: short stacking energy: -849.670 Base-Backbone interact. energy: -1.961 local terms energy: -870.684595 where: bonds (distance) C4'-P energy: -168.263 bonds (distance) P-C4' energy: -158.438 flat angles C4'-P-C4' energy: -179.415 flat angles P-C4'-P energy: -125.229 tors. eta vs tors. theta energy: -239.339 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: 2, replica: 4 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -2681.290721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.290721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.290721 (E_RNA) where: Base-Base interactions energy: -1863.892 where: short stacking energy: -786.776 Base-Backbone interact. energy: -2.568 local terms energy: -814.830706 where: bonds (distance) C4'-P energy: -156.219 bonds (distance) P-C4' energy: -146.953 flat angles C4'-P-C4' energy: -184.529 flat angles P-C4'-P energy: -115.276 tors. eta vs tors. theta energy: -211.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -2553.267804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.267804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.267804 (E_RNA) where: Base-Base interactions energy: -1718.886 where: short stacking energy: -753.378 Base-Backbone interact. energy: -0.989 local terms energy: -833.392998 where: bonds (distance) C4'-P energy: -161.123 bonds (distance) P-C4' energy: -169.971 flat angles C4'-P-C4' energy: -178.162 flat angles P-C4'-P energy: -109.045 tors. eta vs tors. theta energy: -215.092 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: 4, replica: 10 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -2438.525905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.525905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.525905 (E_RNA) where: Base-Base interactions energy: -1669.888 where: short stacking energy: -710.287 Base-Backbone interact. energy: -1.776 local terms energy: -766.861212 where: bonds (distance) C4'-P energy: -149.803 bonds (distance) P-C4' energy: -161.912 flat angles C4'-P-C4' energy: -167.803 flat angles P-C4'-P energy: -102.128 tors. eta vs tors. theta energy: -185.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -2378.204166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.204166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.204166 (E_RNA) where: Base-Base interactions energy: -1641.196 where: short stacking energy: -665.423 Base-Backbone interact. energy: -1.185 local terms energy: -735.823887 where: bonds (distance) C4'-P energy: -128.832 bonds (distance) P-C4' energy: -154.726 flat angles C4'-P-C4' energy: -178.728 flat angles P-C4'-P energy: -93.898 tors. eta vs tors. theta energy: -179.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -2205.546062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.546062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.546062 (E_RNA) where: Base-Base interactions energy: -1483.941 where: short stacking energy: -645.056 Base-Backbone interact. energy: -2.397 local terms energy: -719.208555 where: bonds (distance) C4'-P energy: -139.016 bonds (distance) P-C4' energy: -132.443 flat angles C4'-P-C4' energy: -147.869 flat angles P-C4'-P energy: -124.669 tors. eta vs tors. theta energy: -175.211 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: 7, replica: 9 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1987.186395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.186395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.186395 (E_RNA) where: Base-Base interactions energy: -1347.231 where: short stacking energy: -583.641 Base-Backbone interact. energy: -2.487 local terms energy: -637.468004 where: bonds (distance) C4'-P energy: -125.706 bonds (distance) P-C4' energy: -142.561 flat angles C4'-P-C4' energy: -144.669 flat angles P-C4'-P energy: -98.506 tors. eta vs tors. theta energy: -126.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1612.713692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.713692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.713692 (E_RNA) where: Base-Base interactions energy: -1043.340 where: short stacking energy: -482.195 Base-Backbone interact. energy: 3.231 local terms energy: -572.604529 where: bonds (distance) C4'-P energy: -127.845 bonds (distance) P-C4' energy: -137.424 flat angles C4'-P-C4' energy: -119.914 flat angles P-C4'-P energy: -93.740 tors. eta vs tors. theta energy: -93.681 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: 9, replica: 3 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -1261.042921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.042921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.042921 (E_RNA) where: Base-Base interactions energy: -755.798 where: short stacking energy: -364.496 Base-Backbone interact. energy: 0.928 local terms energy: -506.173286 where: bonds (distance) C4'-P energy: -126.269 bonds (distance) P-C4' energy: -144.579 flat angles C4'-P-C4' energy: -120.452 flat angles P-C4'-P energy: -58.971 tors. eta vs tors. theta energy: -55.901 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: 1 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -708.802598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.802598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.802598 (E_RNA) where: Base-Base interactions energy: -263.392 where: short stacking energy: -193.499 Base-Backbone interact. energy: -1.538 local terms energy: -443.871849 where: bonds (distance) C4'-P energy: -127.152 bonds (distance) P-C4' energy: -135.851 flat angles C4'-P-C4' energy: -130.860 flat angles P-C4'-P energy: -74.961 tors. eta vs tors. theta energy: 24.952 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: 125 Temperature: 0.900000 Total energy: -2824.923011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.923011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.923011 (E_RNA) where: Base-Base interactions energy: -1925.819 where: short stacking energy: -870.562 Base-Backbone interact. energy: -3.198 local terms energy: -895.906290 where: bonds (distance) C4'-P energy: -159.817 bonds (distance) P-C4' energy: -164.610 flat angles C4'-P-C4' energy: -189.423 flat angles P-C4'-P energy: -128.449 tors. eta vs tors. theta energy: -253.608 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: 2, replica: 4 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -2725.770598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.770598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.770598 (E_RNA) where: Base-Base interactions energy: -1885.549 where: short stacking energy: -794.614 Base-Backbone interact. energy: 6.708 local terms energy: -846.929178 where: bonds (distance) C4'-P energy: -174.682 bonds (distance) P-C4' energy: -155.638 flat angles C4'-P-C4' energy: -180.858 flat angles P-C4'-P energy: -122.107 tors. eta vs tors. theta energy: -213.645 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: 7 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -2543.233588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.233588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.233588 (E_RNA) where: Base-Base interactions energy: -1746.353 where: short stacking energy: -758.317 Base-Backbone interact. energy: -0.281 local terms energy: -796.599944 where: bonds (distance) C4'-P energy: -149.788 bonds (distance) P-C4' energy: -147.068 flat angles C4'-P-C4' energy: -176.812 flat angles P-C4'-P energy: -112.157 tors. eta vs tors. theta energy: -210.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -2459.834049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.834049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.834049 (E_RNA) where: Base-Base interactions energy: -1711.083 where: short stacking energy: -730.537 Base-Backbone interact. energy: 0.377 local terms energy: -749.127979 where: bonds (distance) C4'-P energy: -145.648 bonds (distance) P-C4' energy: -133.467 flat angles C4'-P-C4' energy: -165.761 flat angles P-C4'-P energy: -110.262 tors. eta vs tors. theta energy: -193.990 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: 5 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -2345.226408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.226408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.226408 (E_RNA) where: Base-Base interactions energy: -1623.856 where: short stacking energy: -647.158 Base-Backbone interact. energy: -4.638 local terms energy: -716.732693 where: bonds (distance) C4'-P energy: -130.505 bonds (distance) P-C4' energy: -150.295 flat angles C4'-P-C4' energy: -154.938 flat angles P-C4'-P energy: -108.631 tors. eta vs tors. theta energy: -172.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -2180.272871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.272871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.272871 (E_RNA) where: Base-Base interactions energy: -1487.918 where: short stacking energy: -661.100 Base-Backbone interact. energy: -1.375 local terms energy: -690.979840 where: bonds (distance) C4'-P energy: -129.097 bonds (distance) P-C4' energy: -153.399 flat angles C4'-P-C4' energy: -151.800 flat angles P-C4'-P energy: -88.501 tors. eta vs tors. theta energy: -168.182 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: 7, replica: 9 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1920.334666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.334666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.334666 (E_RNA) where: Base-Base interactions energy: -1294.230 where: short stacking energy: -560.324 Base-Backbone interact. energy: 0.822 local terms energy: -626.926459 where: bonds (distance) C4'-P energy: -131.672 bonds (distance) P-C4' energy: -125.920 flat angles C4'-P-C4' energy: -150.980 flat angles P-C4'-P energy: -90.672 tors. eta vs tors. theta energy: -127.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1681.667521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.667521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.667521 (E_RNA) where: Base-Base interactions energy: -1127.181 where: short stacking energy: -521.023 Base-Backbone interact. energy: -1.491 local terms energy: -552.994845 where: bonds (distance) C4'-P energy: -108.075 bonds (distance) P-C4' energy: -137.067 flat angles C4'-P-C4' energy: -118.918 flat angles P-C4'-P energy: -91.809 tors. eta vs tors. theta energy: -97.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -1220.907979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.907979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.907979 (E_RNA) where: Base-Base interactions energy: -748.693 where: short stacking energy: -347.135 Base-Backbone interact. energy: 0.457 local terms energy: -472.671836 where: bonds (distance) C4'-P energy: -114.835 bonds (distance) P-C4' energy: -133.831 flat angles C4'-P-C4' energy: -133.283 flat angles P-C4'-P energy: -70.982 tors. eta vs tors. theta energy: -19.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -687.347634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.347634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.347634 (E_RNA) where: Base-Base interactions energy: -281.468 where: short stacking energy: -203.659 Base-Backbone interact. energy: 11.368 local terms energy: -417.248278 where: bonds (distance) C4'-P energy: -132.628 bonds (distance) P-C4' energy: -134.107 flat angles C4'-P-C4' energy: -107.201 flat angles P-C4'-P energy: -67.358 tors. eta vs tors. theta energy: 24.046 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: 1, replica: 8 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -2824.594231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.594231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.594231 (E_RNA) where: Base-Base interactions energy: -1912.774 where: short stacking energy: -841.026 Base-Backbone interact. energy: -3.647 local terms energy: -908.173698 where: bonds (distance) C4'-P energy: -165.254 bonds (distance) P-C4' energy: -174.405 flat angles C4'-P-C4' energy: -192.718 flat angles P-C4'-P energy: -129.630 tors. eta vs tors. theta energy: -246.166 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: 2, replica: 4 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -2713.221128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.221128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.221128 (E_RNA) where: Base-Base interactions energy: -1882.416 where: short stacking energy: -777.359 Base-Backbone interact. energy: -0.748 local terms energy: -830.056818 where: bonds (distance) C4'-P energy: -150.354 bonds (distance) P-C4' energy: -173.293 flat angles C4'-P-C4' energy: -176.276 flat angles P-C4'-P energy: -113.118 tors. eta vs tors. theta energy: -217.015 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: 7 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -2525.535009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.535009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.535009 (E_RNA) where: Base-Base interactions energy: -1708.004 where: short stacking energy: -743.443 Base-Backbone interact. energy: -6.910 local terms energy: -810.620427 where: bonds (distance) C4'-P energy: -154.635 bonds (distance) P-C4' energy: -160.810 flat angles C4'-P-C4' energy: -173.682 flat angles P-C4'-P energy: -104.982 tors. eta vs tors. theta energy: -216.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -2491.885142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.885142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.885142 (E_RNA) where: Base-Base interactions energy: -1717.402 where: short stacking energy: -743.514 Base-Backbone interact. energy: -6.562 local terms energy: -767.921098 where: bonds (distance) C4'-P energy: -148.109 bonds (distance) P-C4' energy: -147.362 flat angles C4'-P-C4' energy: -169.672 flat angles P-C4'-P energy: -110.777 tors. eta vs tors. theta energy: -192.001 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: 5, replica: 5 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -2361.520555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.520555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.520555 (E_RNA) where: Base-Base interactions energy: -1592.704 where: short stacking energy: -672.194 Base-Backbone interact. energy: 3.973 local terms energy: -772.788783 where: bonds (distance) C4'-P energy: -149.337 bonds (distance) P-C4' energy: -156.508 flat angles C4'-P-C4' energy: -170.470 flat angles P-C4'-P energy: -115.396 tors. eta vs tors. theta energy: -181.078 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: 6, replica: 6 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -2106.410677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.410677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.410677 (E_RNA) where: Base-Base interactions energy: -1439.172 where: short stacking energy: -632.084 Base-Backbone interact. energy: -0.404 local terms energy: -666.834759 where: bonds (distance) C4'-P energy: -123.796 bonds (distance) P-C4' energy: -136.317 flat angles C4'-P-C4' energy: -149.592 flat angles P-C4'-P energy: -100.231 tors. eta vs tors. theta energy: -156.899 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: 7, replica: 9 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1950.284114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.284114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.284114 (E_RNA) where: Base-Base interactions energy: -1296.921 where: short stacking energy: -569.208 Base-Backbone interact. energy: -3.818 local terms energy: -649.545597 where: bonds (distance) C4'-P energy: -136.204 bonds (distance) P-C4' energy: -150.406 flat angles C4'-P-C4' energy: -133.120 flat angles P-C4'-P energy: -87.614 tors. eta vs tors. theta energy: -142.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1666.315095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.315095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.315095 (E_RNA) where: Base-Base interactions energy: -1077.171 where: short stacking energy: -473.275 Base-Backbone interact. energy: 1.608 local terms energy: -590.752655 where: bonds (distance) C4'-P energy: -148.256 bonds (distance) P-C4' energy: -111.810 flat angles C4'-P-C4' energy: -146.680 flat angles P-C4'-P energy: -97.657 tors. eta vs tors. theta energy: -86.350 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: 3 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -1248.288446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.288446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.288446 (E_RNA) where: Base-Base interactions energy: -767.978 where: short stacking energy: -376.830 Base-Backbone interact. energy: -0.319 local terms energy: -479.991085 where: bonds (distance) C4'-P energy: -125.661 bonds (distance) P-C4' energy: -135.580 flat angles C4'-P-C4' energy: -117.575 flat angles P-C4'-P energy: -64.926 tors. eta vs tors. theta energy: -36.249 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: 10, replica: 1 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -792.768103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.768103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.768103 (E_RNA) where: Base-Base interactions energy: -358.323 where: short stacking energy: -228.100 Base-Backbone interact. energy: 4.933 local terms energy: -439.378111 where: bonds (distance) C4'-P energy: -125.831 bonds (distance) P-C4' energy: -121.277 flat angles C4'-P-C4' energy: -127.027 flat angles P-C4'-P energy: -83.204 tors. eta vs tors. theta energy: 17.960 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: 1, replica: 8 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -2820.540321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.540321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.540321 (E_RNA) where: Base-Base interactions energy: -1928.156 where: short stacking energy: -848.908 Base-Backbone interact. energy: -3.021 local terms energy: -889.364025 where: bonds (distance) C4'-P energy: -150.308 bonds (distance) P-C4' energy: -181.137 flat angles C4'-P-C4' energy: -181.992 flat angles P-C4'-P energy: -126.717 tors. eta vs tors. theta energy: -249.210 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: 2, replica: 4 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2807.711027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.711027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.711027 (E_RNA) where: Base-Base interactions energy: -1960.220 where: short stacking energy: -815.554 Base-Backbone interact. energy: 0.434 local terms energy: -847.924479 where: bonds (distance) C4'-P energy: -148.319 bonds (distance) P-C4' energy: -174.260 flat angles C4'-P-C4' energy: -174.735 flat angles P-C4'-P energy: -118.439 tors. eta vs tors. theta energy: -232.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -2565.045177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.045177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.045177 (E_RNA) where: Base-Base interactions energy: -1744.686 where: short stacking energy: -798.983 Base-Backbone interact. energy: -4.624 local terms energy: -815.734926 where: bonds (distance) C4'-P energy: -152.825 bonds (distance) P-C4' energy: -152.235 flat angles C4'-P-C4' energy: -176.368 flat angles P-C4'-P energy: -112.639 tors. eta vs tors. theta energy: -221.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -2501.818497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.818497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.818497 (E_RNA) where: Base-Base interactions energy: -1710.320 where: short stacking energy: -765.283 Base-Backbone interact. energy: -0.379 local terms energy: -791.119612 where: bonds (distance) C4'-P energy: -149.158 bonds (distance) P-C4' energy: -146.264 flat angles C4'-P-C4' energy: -173.133 flat angles P-C4'-P energy: -120.417 tors. eta vs tors. theta energy: -202.148 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: 5, replica: 5 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -2327.766109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.766109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.766109 (E_RNA) where: Base-Base interactions energy: -1607.256 where: short stacking energy: -668.581 Base-Backbone interact. energy: -0.626 local terms energy: -719.884250 where: bonds (distance) C4'-P energy: -136.899 bonds (distance) P-C4' energy: -155.046 flat angles C4'-P-C4' energy: -163.800 flat angles P-C4'-P energy: -100.274 tors. eta vs tors. theta energy: -163.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -2121.339722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.339722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.339722 (E_RNA) where: Base-Base interactions energy: -1432.888 where: short stacking energy: -666.920 Base-Backbone interact. energy: -2.990 local terms energy: -685.461926 where: bonds (distance) C4'-P energy: -121.824 bonds (distance) P-C4' energy: -139.560 flat angles C4'-P-C4' energy: -151.329 flat angles P-C4'-P energy: -105.802 tors. eta vs tors. theta energy: -166.947 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: 7, replica: 9 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1948.508546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.508546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.508546 (E_RNA) where: Base-Base interactions energy: -1322.768 where: short stacking energy: -613.164 Base-Backbone interact. energy: -0.636 local terms energy: -625.104419 where: bonds (distance) C4'-P energy: -125.313 bonds (distance) P-C4' energy: -115.837 flat angles C4'-P-C4' energy: -136.060 flat angles P-C4'-P energy: -96.485 tors. eta vs tors. theta energy: -151.409 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: 2 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1582.550611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.550611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.550611 (E_RNA) where: Base-Base interactions energy: -1006.763 where: short stacking energy: -464.621 Base-Backbone interact. energy: -1.825 local terms energy: -573.962642 where: bonds (distance) C4'-P energy: -119.088 bonds (distance) P-C4' energy: -144.914 flat angles C4'-P-C4' energy: -156.359 flat angles P-C4'-P energy: -69.262 tors. eta vs tors. theta energy: -84.340 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: 9, replica: 3 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -1212.650806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.650806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.650806 (E_RNA) where: Base-Base interactions energy: -725.546 where: short stacking energy: -337.596 Base-Backbone interact. energy: 0.208 local terms energy: -487.312803 where: bonds (distance) C4'-P energy: -128.082 bonds (distance) P-C4' energy: -126.260 flat angles C4'-P-C4' energy: -128.645 flat angles P-C4'-P energy: -66.057 tors. eta vs tors. theta energy: -38.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -889.539340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.539340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.539340 (E_RNA) where: Base-Base interactions energy: -411.673 where: short stacking energy: -221.403 Base-Backbone interact. energy: 3.376 local terms energy: -481.242262 where: bonds (distance) C4'-P energy: -152.950 bonds (distance) P-C4' energy: -145.476 flat angles C4'-P-C4' energy: -101.866 flat angles P-C4'-P energy: -90.728 tors. eta vs tors. theta energy: 9.778 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: 1, replica: 4 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -2807.370236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.370236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.370236 (E_RNA) where: Base-Base interactions energy: -1950.158 where: short stacking energy: -831.228 Base-Backbone interact. energy: -0.553 local terms energy: -856.659221 where: bonds (distance) C4'-P energy: -169.001 bonds (distance) P-C4' energy: -159.350 flat angles C4'-P-C4' energy: -181.747 flat angles P-C4'-P energy: -125.384 tors. eta vs tors. theta energy: -221.178 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: 8 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2767.008369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.008369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.008369 (E_RNA) where: Base-Base interactions energy: -1898.232 where: short stacking energy: -840.169 Base-Backbone interact. energy: -2.351 local terms energy: -866.425124 where: bonds (distance) C4'-P energy: -151.722 bonds (distance) P-C4' energy: -165.273 flat angles C4'-P-C4' energy: -184.835 flat angles P-C4'-P energy: -119.124 tors. eta vs tors. theta energy: -245.471 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: 3, replica: 7 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -2568.165185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.165185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.165185 (E_RNA) where: Base-Base interactions energy: -1759.990 where: short stacking energy: -803.434 Base-Backbone interact. energy: -2.330 local terms energy: -805.844421 where: bonds (distance) C4'-P energy: -145.485 bonds (distance) P-C4' energy: -149.988 flat angles C4'-P-C4' energy: -169.810 flat angles P-C4'-P energy: -125.331 tors. eta vs tors. theta energy: -215.231 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: 10 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -2534.413895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.413895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.413895 (E_RNA) where: Base-Base interactions energy: -1796.162 where: short stacking energy: -741.805 Base-Backbone interact. energy: -1.929 local terms energy: -736.322630 where: bonds (distance) C4'-P energy: -145.562 bonds (distance) P-C4' energy: -132.623 flat angles C4'-P-C4' energy: -159.721 flat angles P-C4'-P energy: -106.204 tors. eta vs tors. theta energy: -192.212 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: 5, replica: 5 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -2335.892864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.892864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.892864 (E_RNA) where: Base-Base interactions energy: -1612.471 where: short stacking energy: -671.914 Base-Backbone interact. energy: -1.552 local terms energy: -721.870593 where: bonds (distance) C4'-P energy: -136.846 bonds (distance) P-C4' energy: -156.355 flat angles C4'-P-C4' energy: -155.908 flat angles P-C4'-P energy: -103.094 tors. eta vs tors. theta energy: -169.667 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: 6, replica: 6 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -2205.067335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.067335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.067335 (E_RNA) where: Base-Base interactions energy: -1499.784 where: short stacking energy: -675.956 Base-Backbone interact. energy: -3.272 local terms energy: -702.010958 where: bonds (distance) C4'-P energy: -129.368 bonds (distance) P-C4' energy: -135.008 flat angles C4'-P-C4' energy: -168.291 flat angles P-C4'-P energy: -102.889 tors. eta vs tors. theta energy: -166.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1856.592066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.592066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.592066 (E_RNA) where: Base-Base interactions energy: -1230.491 where: short stacking energy: -566.220 Base-Backbone interact. energy: 3.507 local terms energy: -629.607561 where: bonds (distance) C4'-P energy: -138.726 bonds (distance) P-C4' energy: -129.709 flat angles C4'-P-C4' energy: -133.911 flat angles P-C4'-P energy: -96.418 tors. eta vs tors. theta energy: -130.844 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: 8, replica: 2 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1551.424295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.424295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.424295 (E_RNA) where: Base-Base interactions energy: -995.509 where: short stacking energy: -450.205 Base-Backbone interact. energy: 7.590 local terms energy: -563.505069 where: bonds (distance) C4'-P energy: -149.583 bonds (distance) P-C4' energy: -140.601 flat angles C4'-P-C4' energy: -140.876 flat angles P-C4'-P energy: -66.127 tors. eta vs tors. theta energy: -66.318 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: 3 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -1347.274194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.274194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.274194 (E_RNA) where: Base-Base interactions energy: -824.795 where: short stacking energy: -389.663 Base-Backbone interact. energy: -0.282 local terms energy: -522.197817 where: bonds (distance) C4'-P energy: -117.688 bonds (distance) P-C4' energy: -135.530 flat angles C4'-P-C4' energy: -126.007 flat angles P-C4'-P energy: -92.334 tors. eta vs tors. theta energy: -50.638 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: 1 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -917.392874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.392874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.392874 (E_RNA) where: Base-Base interactions energy: -489.753 where: short stacking energy: -268.796 Base-Backbone interact. energy: 6.297 local terms energy: -433.936916 where: bonds (distance) C4'-P energy: -111.865 bonds (distance) P-C4' energy: -139.965 flat angles C4'-P-C4' energy: -122.812 flat angles P-C4'-P energy: -33.622 tors. eta vs tors. theta energy: -25.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -2810.073345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.073345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.073345 (E_RNA) where: Base-Base interactions energy: -1979.610 where: short stacking energy: -826.926 Base-Backbone interact. energy: -3.832 local terms energy: -826.631560 where: bonds (distance) C4'-P energy: -149.285 bonds (distance) P-C4' energy: -156.725 flat angles C4'-P-C4' energy: -177.719 flat angles P-C4'-P energy: -119.330 tors. eta vs tors. theta energy: -223.573 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: 2, replica: 8 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -2751.445619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.445619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.445619 (E_RNA) where: Base-Base interactions energy: -1885.432 where: short stacking energy: -801.052 Base-Backbone interact. energy: 0.425 local terms energy: -866.438274 where: bonds (distance) C4'-P energy: -158.908 bonds (distance) P-C4' energy: -162.696 flat angles C4'-P-C4' energy: -189.433 flat angles P-C4'-P energy: -121.532 tors. eta vs tors. theta energy: -233.870 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: 3, replica: 7 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -2553.037480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.037480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.037480 (E_RNA) where: Base-Base interactions energy: -1745.888 where: short stacking energy: -759.033 Base-Backbone interact. energy: -3.826 local terms energy: -803.323051 where: bonds (distance) C4'-P energy: -148.623 bonds (distance) P-C4' energy: -159.419 flat angles C4'-P-C4' energy: -181.268 flat angles P-C4'-P energy: -115.089 tors. eta vs tors. theta energy: -198.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -2562.114753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.114753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.114753 (E_RNA) where: Base-Base interactions energy: -1790.839 where: short stacking energy: -762.115 Base-Backbone interact. energy: -5.064 local terms energy: -766.211873 where: bonds (distance) C4'-P energy: -127.122 bonds (distance) P-C4' energy: -160.938 flat angles C4'-P-C4' energy: -158.354 flat angles P-C4'-P energy: -108.698 tors. eta vs tors. theta energy: -211.099 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: 5, replica: 5 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -2376.233617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.233617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.233617 (E_RNA) where: Base-Base interactions energy: -1626.017 where: short stacking energy: -720.437 Base-Backbone interact. energy: -4.482 local terms energy: -745.734187 where: bonds (distance) C4'-P energy: -142.018 bonds (distance) P-C4' energy: -139.850 flat angles C4'-P-C4' energy: -163.733 flat angles P-C4'-P energy: -112.597 tors. eta vs tors. theta energy: -187.536 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: 6, replica: 6 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -2150.028184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.028184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.028184 (E_RNA) where: Base-Base interactions energy: -1430.845 where: short stacking energy: -654.552 Base-Backbone interact. energy: -3.052 local terms energy: -716.130609 where: bonds (distance) C4'-P energy: -134.046 bonds (distance) P-C4' energy: -149.232 flat angles C4'-P-C4' energy: -158.547 flat angles P-C4'-P energy: -95.504 tors. eta vs tors. theta energy: -178.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1938.061820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.061820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.061820 (E_RNA) where: Base-Base interactions energy: -1260.143 where: short stacking energy: -572.728 Base-Backbone interact. energy: 1.956 local terms energy: -679.874560 where: bonds (distance) C4'-P energy: -117.968 bonds (distance) P-C4' energy: -154.578 flat angles C4'-P-C4' energy: -159.649 flat angles P-C4'-P energy: -96.448 tors. eta vs tors. theta energy: -151.231 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: 2 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1551.531016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.531016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.531016 (E_RNA) where: Base-Base interactions energy: -984.999 where: short stacking energy: -480.738 Base-Backbone interact. energy: -1.926 local terms energy: -564.606442 where: bonds (distance) C4'-P energy: -129.391 bonds (distance) P-C4' energy: -141.828 flat angles C4'-P-C4' energy: -138.809 flat angles P-C4'-P energy: -79.925 tors. eta vs tors. theta energy: -74.654 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: 3 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -1241.117875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.117875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.117875 (E_RNA) where: Base-Base interactions energy: -715.108 where: short stacking energy: -351.895 Base-Backbone interact. energy: 2.827 local terms energy: -528.836721 where: bonds (distance) C4'-P energy: -138.518 bonds (distance) P-C4' energy: -141.093 flat angles C4'-P-C4' energy: -128.443 flat angles P-C4'-P energy: -82.557 tors. eta vs tors. theta energy: -38.226 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: 1 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -853.269649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.269649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.269649 (E_RNA) where: Base-Base interactions energy: -418.015 where: short stacking energy: -258.913 Base-Backbone interact. energy: -3.081 local terms energy: -432.173153 where: bonds (distance) C4'-P energy: -127.756 bonds (distance) P-C4' energy: -130.450 flat angles C4'-P-C4' energy: -118.888 flat angles P-C4'-P energy: -45.359 tors. eta vs tors. theta energy: -9.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -2827.424084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.424084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.424084 (E_RNA) where: Base-Base interactions energy: -1982.105 where: short stacking energy: -849.801 Base-Backbone interact. energy: -3.318 local terms energy: -842.001156 where: bonds (distance) C4'-P energy: -140.774 bonds (distance) P-C4' energy: -175.005 flat angles C4'-P-C4' energy: -178.229 flat angles P-C4'-P energy: -118.640 tors. eta vs tors. theta energy: -229.353 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: 2, replica: 8 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -2692.367496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.367496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.367496 (E_RNA) where: Base-Base interactions energy: -1880.980 where: short stacking energy: -795.822 Base-Backbone interact. energy: -5.382 local terms energy: -806.005732 where: bonds (distance) C4'-P energy: -140.312 bonds (distance) P-C4' energy: -147.382 flat angles C4'-P-C4' energy: -179.018 flat angles P-C4'-P energy: -116.408 tors. eta vs tors. theta energy: -222.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -2577.376982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.376982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.376982 (E_RNA) where: Base-Base interactions energy: -1773.589 where: short stacking energy: -754.479 Base-Backbone interact. energy: 0.659 local terms energy: -804.446358 where: bonds (distance) C4'-P energy: -150.854 bonds (distance) P-C4' energy: -166.943 flat angles C4'-P-C4' energy: -179.231 flat angles P-C4'-P energy: -106.025 tors. eta vs tors. theta energy: -201.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -2569.869531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.869531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.869531 (E_RNA) where: Base-Base interactions energy: -1781.488 where: short stacking energy: -742.935 Base-Backbone interact. energy: -2.826 local terms energy: -785.555726 where: bonds (distance) C4'-P energy: -139.664 bonds (distance) P-C4' energy: -163.394 flat angles C4'-P-C4' energy: -173.450 flat angles P-C4'-P energy: -111.836 tors. eta vs tors. theta energy: -197.212 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: 5, replica: 6 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -2242.853006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.853006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.853006 (E_RNA) where: Base-Base interactions energy: -1482.032 where: short stacking energy: -672.545 Base-Backbone interact. energy: 0.280 local terms energy: -761.101518 where: bonds (distance) C4'-P energy: -145.651 bonds (distance) P-C4' energy: -153.673 flat angles C4'-P-C4' energy: -181.969 flat angles P-C4'-P energy: -102.601 tors. eta vs tors. theta energy: -177.208 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: 130 Temperature: 1.150000 Total energy: -2310.024303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.024303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.024303 (E_RNA) where: Base-Base interactions energy: -1606.770 where: short stacking energy: -648.339 Base-Backbone interact. energy: -3.377 local terms energy: -699.877900 where: bonds (distance) C4'-P energy: -137.527 bonds (distance) P-C4' energy: -131.848 flat angles C4'-P-C4' energy: -147.808 flat angles P-C4'-P energy: -105.290 tors. eta vs tors. theta energy: -177.405 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: 9 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1897.013906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.013906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.013906 (E_RNA) where: Base-Base interactions energy: -1272.816 where: short stacking energy: -571.190 Base-Backbone interact. energy: -2.410 local terms energy: -621.787742 where: bonds (distance) C4'-P energy: -124.895 bonds (distance) P-C4' energy: -134.419 flat angles C4'-P-C4' energy: -134.916 flat angles P-C4'-P energy: -86.816 tors. eta vs tors. theta energy: -140.743 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: 2 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1506.229112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.229112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.229112 (E_RNA) where: Base-Base interactions energy: -940.275 where: short stacking energy: -455.644 Base-Backbone interact. energy: -1.712 local terms energy: -564.242045 where: bonds (distance) C4'-P energy: -133.708 bonds (distance) P-C4' energy: -131.203 flat angles C4'-P-C4' energy: -142.183 flat angles P-C4'-P energy: -80.232 tors. eta vs tors. theta energy: -76.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -1194.356526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.356526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.356526 (E_RNA) where: Base-Base interactions energy: -704.904 where: short stacking energy: -339.192 Base-Backbone interact. energy: -0.047 local terms energy: -489.405131 where: bonds (distance) C4'-P energy: -122.291 bonds (distance) P-C4' energy: -125.360 flat angles C4'-P-C4' energy: -127.738 flat angles P-C4'-P energy: -81.980 tors. eta vs tors. theta energy: -32.036 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: 10, replica: 1 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -818.941459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.941459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.941459 (E_RNA) where: Base-Base interactions energy: -393.551 where: short stacking energy: -206.368 Base-Backbone interact. energy: 0.318 local terms energy: -425.708612 where: bonds (distance) C4'-P energy: -134.869 bonds (distance) P-C4' energy: -137.121 flat angles C4'-P-C4' energy: -106.613 flat angles P-C4'-P energy: -66.225 tors. eta vs tors. theta energy: 19.119 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: 1, replica: 4 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -2834.073018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.073018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.073018 (E_RNA) where: Base-Base interactions energy: -1986.608 where: short stacking energy: -862.186 Base-Backbone interact. energy: 0.104 local terms energy: -847.569460 where: bonds (distance) C4'-P energy: -161.052 bonds (distance) P-C4' energy: -160.636 flat angles C4'-P-C4' energy: -173.108 flat angles P-C4'-P energy: -121.180 tors. eta vs tors. theta energy: -231.594 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: 2, replica: 8 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -2739.989632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.989632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.989632 (E_RNA) where: Base-Base interactions energy: -1881.588 where: short stacking energy: -815.400 Base-Backbone interact. energy: -5.978 local terms energy: -852.423570 where: bonds (distance) C4'-P energy: -144.948 bonds (distance) P-C4' energy: -164.512 flat angles C4'-P-C4' energy: -188.192 flat angles P-C4'-P energy: -119.644 tors. eta vs tors. theta energy: -235.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -2590.774732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.774732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.774732 (E_RNA) where: Base-Base interactions energy: -1781.390 where: short stacking energy: -770.448 Base-Backbone interact. energy: -2.458 local terms energy: -806.926518 where: bonds (distance) C4'-P energy: -164.818 bonds (distance) P-C4' energy: -157.537 flat angles C4'-P-C4' energy: -171.020 flat angles P-C4'-P energy: -116.412 tors. eta vs tors. theta energy: -197.140 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: 10 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -2571.967664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.967664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.967664 (E_RNA) where: Base-Base interactions energy: -1804.182 where: short stacking energy: -757.900 Base-Backbone interact. energy: 1.468 local terms energy: -769.253735 where: bonds (distance) C4'-P energy: -138.804 bonds (distance) P-C4' energy: -153.104 flat angles C4'-P-C4' energy: -182.151 flat angles P-C4'-P energy: -93.751 tors. eta vs tors. theta energy: -201.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -2232.507078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.507078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.507078 (E_RNA) where: Base-Base interactions energy: -1513.576 where: short stacking energy: -624.584 Base-Backbone interact. energy: -2.987 local terms energy: -715.944177 where: bonds (distance) C4'-P energy: -140.238 bonds (distance) P-C4' energy: -148.696 flat angles C4'-P-C4' energy: -164.669 flat angles P-C4'-P energy: -99.829 tors. eta vs tors. theta energy: -162.512 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: 6, replica: 5 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -2239.520228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.520228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.520228 (E_RNA) where: Base-Base interactions energy: -1562.622 where: short stacking energy: -639.176 Base-Backbone interact. energy: 4.866 local terms energy: -681.763725 where: bonds (distance) C4'-P energy: -141.924 bonds (distance) P-C4' energy: -139.099 flat angles C4'-P-C4' energy: -159.172 flat angles P-C4'-P energy: -89.587 tors. eta vs tors. theta energy: -151.983 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: 7, replica: 9 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1912.301970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.301970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.301970 (E_RNA) where: Base-Base interactions energy: -1255.021 where: short stacking energy: -585.368 Base-Backbone interact. energy: 0.045 local terms energy: -657.325789 where: bonds (distance) C4'-P energy: -123.580 bonds (distance) P-C4' energy: -152.388 flat angles C4'-P-C4' energy: -147.864 flat angles P-C4'-P energy: -87.911 tors. eta vs tors. theta energy: -145.582 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: 2 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1512.483347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.483347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.483347 (E_RNA) where: Base-Base interactions energy: -936.618 where: short stacking energy: -430.393 Base-Backbone interact. energy: -1.015 local terms energy: -574.849759 where: bonds (distance) C4'-P energy: -126.195 bonds (distance) P-C4' energy: -148.502 flat angles C4'-P-C4' energy: -135.486 flat angles P-C4'-P energy: -79.357 tors. eta vs tors. theta energy: -85.309 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: 3 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -1189.755144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.755144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.755144 (E_RNA) where: Base-Base interactions energy: -698.019 where: short stacking energy: -371.940 Base-Backbone interact. energy: -0.818 local terms energy: -490.917428 where: bonds (distance) C4'-P energy: -129.122 bonds (distance) P-C4' energy: -144.551 flat angles C4'-P-C4' energy: -104.232 flat angles P-C4'-P energy: -62.416 tors. eta vs tors. theta energy: -50.596 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: 10, replica: 1 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -830.320733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.320733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.320733 (E_RNA) where: Base-Base interactions energy: -414.595 where: short stacking energy: -237.272 Base-Backbone interact. energy: 3.272 local terms energy: -418.997733 where: bonds (distance) C4'-P energy: -109.836 bonds (distance) P-C4' energy: -140.506 flat angles C4'-P-C4' energy: -104.301 flat angles P-C4'-P energy: -61.942 tors. eta vs tors. theta energy: -2.413 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: 1, replica: 4 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -2809.479849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.479849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.479849 (E_RNA) where: Base-Base interactions energy: -1927.686 where: short stacking energy: -810.736 Base-Backbone interact. energy: -2.431 local terms energy: -879.362900 where: bonds (distance) C4'-P energy: -166.968 bonds (distance) P-C4' energy: -175.455 flat angles C4'-P-C4' energy: -185.951 flat angles P-C4'-P energy: -117.576 tors. eta vs tors. theta energy: -233.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2720.176664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.176664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.176664 (E_RNA) where: Base-Base interactions energy: -1907.367 where: short stacking energy: -793.856 Base-Backbone interact. energy: -5.313 local terms energy: -807.496465 where: bonds (distance) C4'-P energy: -133.395 bonds (distance) P-C4' energy: -133.262 flat angles C4'-P-C4' energy: -181.579 flat angles P-C4'-P energy: -127.685 tors. eta vs tors. theta energy: -231.577 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: 7 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -2552.690701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.690701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.690701 (E_RNA) where: Base-Base interactions energy: -1778.050 where: short stacking energy: -786.030 Base-Backbone interact. energy: -1.365 local terms energy: -773.275735 where: bonds (distance) C4'-P energy: -143.443 bonds (distance) P-C4' energy: -156.083 flat angles C4'-P-C4' energy: -172.742 flat angles P-C4'-P energy: -111.012 tors. eta vs tors. theta energy: -189.996 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: 4, replica: 10 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -2575.835888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.835888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.835888 (E_RNA) where: Base-Base interactions energy: -1760.882 where: short stacking energy: -755.350 Base-Backbone interact. energy: -4.174 local terms energy: -810.779963 where: bonds (distance) C4'-P energy: -155.474 bonds (distance) P-C4' energy: -150.268 flat angles C4'-P-C4' energy: -174.682 flat angles P-C4'-P energy: -116.141 tors. eta vs tors. theta energy: -214.215 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: 6 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -2274.623556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.623556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.623556 (E_RNA) where: Base-Base interactions energy: -1527.792 where: short stacking energy: -693.178 Base-Backbone interact. energy: 1.273 local terms energy: -748.104567 where: bonds (distance) C4'-P energy: -146.592 bonds (distance) P-C4' energy: -144.667 flat angles C4'-P-C4' energy: -161.344 flat angles P-C4'-P energy: -117.050 tors. eta vs tors. theta energy: -178.452 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: 6, replica: 5 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -2268.758507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.758507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.758507 (E_RNA) where: Base-Base interactions energy: -1583.489 where: short stacking energy: -662.502 Base-Backbone interact. energy: -5.851 local terms energy: -679.418792 where: bonds (distance) C4'-P energy: -132.619 bonds (distance) P-C4' energy: -133.220 flat angles C4'-P-C4' energy: -158.004 flat angles P-C4'-P energy: -93.885 tors. eta vs tors. theta energy: -161.690 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: 7, replica: 9 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -2035.186539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.186539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.186539 (E_RNA) where: Base-Base interactions energy: -1357.845 where: short stacking energy: -598.971 Base-Backbone interact. energy: -3.787 local terms energy: -673.554797 where: bonds (distance) C4'-P energy: -135.676 bonds (distance) P-C4' energy: -136.982 flat angles C4'-P-C4' energy: -162.536 flat angles P-C4'-P energy: -83.008 tors. eta vs tors. theta energy: -155.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1464.138343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.138343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.138343 (E_RNA) where: Base-Base interactions energy: -908.957 where: short stacking energy: -426.725 Base-Backbone interact. energy: -2.001 local terms energy: -553.181052 where: bonds (distance) C4'-P energy: -135.527 bonds (distance) P-C4' energy: -139.322 flat angles C4'-P-C4' energy: -127.030 flat angles P-C4'-P energy: -86.547 tors. eta vs tors. theta energy: -64.755 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: 3 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -1192.305063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.305063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.305063 (E_RNA) where: Base-Base interactions energy: -679.244 where: short stacking energy: -344.884 Base-Backbone interact. energy: 3.841 local terms energy: -516.902346 where: bonds (distance) C4'-P energy: -131.655 bonds (distance) P-C4' energy: -150.837 flat angles C4'-P-C4' energy: -134.390 flat angles P-C4'-P energy: -79.242 tors. eta vs tors. theta energy: -20.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -888.329035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.329035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.329035 (E_RNA) where: Base-Base interactions energy: -459.122 where: short stacking energy: -258.432 Base-Backbone interact. energy: -0.050 local terms energy: -429.157177 where: bonds (distance) C4'-P energy: -122.677 bonds (distance) P-C4' energy: -110.421 flat angles C4'-P-C4' energy: -116.035 flat angles P-C4'-P energy: -70.200 tors. eta vs tors. theta energy: -9.825 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: 1, replica: 4 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -2813.008434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.008434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.008434 (E_RNA) where: Base-Base interactions energy: -1973.131 where: short stacking energy: -841.190 Base-Backbone interact. energy: -6.742 local terms energy: -833.135660 where: bonds (distance) C4'-P energy: -144.202 bonds (distance) P-C4' energy: -157.767 flat angles C4'-P-C4' energy: -171.751 flat angles P-C4'-P energy: -132.784 tors. eta vs tors. theta energy: -226.632 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: 2, replica: 8 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -2729.273225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.273225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.273225 (E_RNA) where: Base-Base interactions energy: -1897.456 where: short stacking energy: -823.220 Base-Backbone interact. energy: 3.415 local terms energy: -835.231842 where: bonds (distance) C4'-P energy: -143.096 bonds (distance) P-C4' energy: -168.767 flat angles C4'-P-C4' energy: -175.136 flat angles P-C4'-P energy: -127.024 tors. eta vs tors. theta energy: -221.208 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: 3, replica: 7 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -2543.857181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.857181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.857181 (E_RNA) where: Base-Base interactions energy: -1750.180 where: short stacking energy: -752.228 Base-Backbone interact. energy: -3.573 local terms energy: -790.104738 where: bonds (distance) C4'-P energy: -145.223 bonds (distance) P-C4' energy: -161.664 flat angles C4'-P-C4' energy: -183.574 flat angles P-C4'-P energy: -93.537 tors. eta vs tors. theta energy: -206.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -2552.188541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.188541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.188541 (E_RNA) where: Base-Base interactions energy: -1798.349 where: short stacking energy: -787.741 Base-Backbone interact. energy: 3.562 local terms energy: -757.401994 where: bonds (distance) C4'-P energy: -122.617 bonds (distance) P-C4' energy: -136.825 flat angles C4'-P-C4' energy: -172.867 flat angles P-C4'-P energy: -113.028 tors. eta vs tors. theta energy: -212.064 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: 5, replica: 6 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -2238.922830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.922830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.922830 (E_RNA) where: Base-Base interactions energy: -1530.461 where: short stacking energy: -643.146 Base-Backbone interact. energy: 3.528 local terms energy: -711.990581 where: bonds (distance) C4'-P energy: -129.617 bonds (distance) P-C4' energy: -149.570 flat angles C4'-P-C4' energy: -163.053 flat angles P-C4'-P energy: -110.954 tors. eta vs tors. theta energy: -158.797 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: 6, replica: 5 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -2227.907962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.907962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.907962 (E_RNA) where: Base-Base interactions energy: -1528.204 where: short stacking energy: -633.761 Base-Backbone interact. energy: -3.124 local terms energy: -696.579796 where: bonds (distance) C4'-P energy: -127.891 bonds (distance) P-C4' energy: -141.891 flat angles C4'-P-C4' energy: -163.850 flat angles P-C4'-P energy: -102.615 tors. eta vs tors. theta energy: -160.333 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: 9 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1977.311005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.311005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.311005 (E_RNA) where: Base-Base interactions energy: -1316.829 where: short stacking energy: -625.416 Base-Backbone interact. energy: 0.998 local terms energy: -661.479566 where: bonds (distance) C4'-P energy: -139.850 bonds (distance) P-C4' energy: -131.833 flat angles C4'-P-C4' energy: -132.408 flat angles P-C4'-P energy: -96.760 tors. eta vs tors. theta energy: -160.629 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: 2 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1503.209270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.209270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.209270 (E_RNA) where: Base-Base interactions energy: -970.789 where: short stacking energy: -423.143 Base-Backbone interact. energy: 3.917 local terms energy: -536.336900 where: bonds (distance) C4'-P energy: -120.446 bonds (distance) P-C4' energy: -138.257 flat angles C4'-P-C4' energy: -122.776 flat angles P-C4'-P energy: -86.101 tors. eta vs tors. theta energy: -68.757 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: 9, replica: 3 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -1173.192406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.192406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.192406 (E_RNA) where: Base-Base interactions energy: -665.765 where: short stacking energy: -328.737 Base-Backbone interact. energy: -2.897 local terms energy: -504.530519 where: bonds (distance) C4'-P energy: -124.948 bonds (distance) P-C4' energy: -153.857 flat angles C4'-P-C4' energy: -129.571 flat angles P-C4'-P energy: -79.519 tors. eta vs tors. theta energy: -16.636 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: 1 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -954.138907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.138907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.138907 (E_RNA) where: Base-Base interactions energy: -476.666 where: short stacking energy: -276.630 Base-Backbone interact. energy: -6.575 local terms energy: -470.897718 where: bonds (distance) C4'-P energy: -130.289 bonds (distance) P-C4' energy: -140.176 flat angles C4'-P-C4' energy: -113.283 flat angles P-C4'-P energy: -76.153 tors. eta vs tors. theta energy: -10.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -2802.810743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.810743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.810743 (E_RNA) where: Base-Base interactions energy: -1951.551 where: short stacking energy: -812.308 Base-Backbone interact. energy: -3.306 local terms energy: -847.953412 where: bonds (distance) C4'-P energy: -157.886 bonds (distance) P-C4' energy: -176.192 flat angles C4'-P-C4' energy: -181.297 flat angles P-C4'-P energy: -115.866 tors. eta vs tors. theta energy: -216.713 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: 8 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -2727.580405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.580405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.580405 (E_RNA) where: Base-Base interactions energy: -1909.218 where: short stacking energy: -830.366 Base-Backbone interact. energy: -0.499 local terms energy: -817.863456 where: bonds (distance) C4'-P energy: -154.508 bonds (distance) P-C4' energy: -167.609 flat angles C4'-P-C4' energy: -170.255 flat angles P-C4'-P energy: -98.328 tors. eta vs tors. theta energy: -227.163 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: 10 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -2600.026551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.026551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.026551 (E_RNA) where: Base-Base interactions energy: -1807.233 where: short stacking energy: -796.782 Base-Backbone interact. energy: -3.049 local terms energy: -789.744355 where: bonds (distance) C4'-P energy: -150.295 bonds (distance) P-C4' energy: -148.025 flat angles C4'-P-C4' energy: -167.202 flat angles P-C4'-P energy: -100.519 tors. eta vs tors. theta energy: -223.704 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: 7 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -2493.131182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.131182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.131182 (E_RNA) where: Base-Base interactions energy: -1687.505 where: short stacking energy: -736.381 Base-Backbone interact. energy: -3.081 local terms energy: -802.545051 where: bonds (distance) C4'-P energy: -150.602 bonds (distance) P-C4' energy: -152.842 flat angles C4'-P-C4' energy: -183.728 flat angles P-C4'-P energy: -108.325 tors. eta vs tors. theta energy: -207.048 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: 5, replica: 5 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -2341.691967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.691967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.691967 (E_RNA) where: Base-Base interactions energy: -1623.021 where: short stacking energy: -691.463 Base-Backbone interact. energy: -0.493 local terms energy: -718.177428 where: bonds (distance) C4'-P energy: -126.385 bonds (distance) P-C4' energy: -137.313 flat angles C4'-P-C4' energy: -158.723 flat angles P-C4'-P energy: -107.530 tors. eta vs tors. theta energy: -188.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -2173.320072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.320072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.320072 (E_RNA) where: Base-Base interactions energy: -1447.075 where: short stacking energy: -653.365 Base-Backbone interact. energy: 4.939 local terms energy: -731.184631 where: bonds (distance) C4'-P energy: -141.985 bonds (distance) P-C4' energy: -138.805 flat angles C4'-P-C4' energy: -163.228 flat angles P-C4'-P energy: -104.861 tors. eta vs tors. theta energy: -182.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1949.085801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.085801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.085801 (E_RNA) where: Base-Base interactions energy: -1313.027 where: short stacking energy: -585.402 Base-Backbone interact. energy: -2.683 local terms energy: -633.375595 where: bonds (distance) C4'-P energy: -140.020 bonds (distance) P-C4' energy: -135.794 flat angles C4'-P-C4' energy: -138.150 flat angles P-C4'-P energy: -88.088 tors. eta vs tors. theta energy: -131.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1512.721432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.721432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.721432 (E_RNA) where: Base-Base interactions energy: -941.233 where: short stacking energy: -415.633 Base-Backbone interact. energy: -3.877 local terms energy: -567.612177 where: bonds (distance) C4'-P energy: -127.720 bonds (distance) P-C4' energy: -122.791 flat angles C4'-P-C4' energy: -144.583 flat angles P-C4'-P energy: -97.835 tors. eta vs tors. theta energy: -74.683 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: 3 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -1240.833843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.833843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.833843 (E_RNA) where: Base-Base interactions energy: -701.011 where: short stacking energy: -351.536 Base-Backbone interact. energy: 1.629 local terms energy: -541.451255 where: bonds (distance) C4'-P energy: -157.506 bonds (distance) P-C4' energy: -139.544 flat angles C4'-P-C4' energy: -134.183 flat angles P-C4'-P energy: -67.521 tors. eta vs tors. theta energy: -42.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -920.098422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.098422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.098422 (E_RNA) where: Base-Base interactions energy: -500.873 where: short stacking energy: -293.696 Base-Backbone interact. energy: 8.620 local terms energy: -427.844793 where: bonds (distance) C4'-P energy: -125.635 bonds (distance) P-C4' energy: -140.782 flat angles C4'-P-C4' energy: -99.632 flat angles P-C4'-P energy: -55.475 tors. eta vs tors. theta energy: -6.320 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: 1, replica: 4 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -2809.826101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.826101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.826101 (E_RNA) where: Base-Base interactions energy: -1930.416 where: short stacking energy: -802.365 Base-Backbone interact. energy: -1.876 local terms energy: -877.534033 where: bonds (distance) C4'-P energy: -165.326 bonds (distance) P-C4' energy: -176.194 flat angles C4'-P-C4' energy: -188.384 flat angles P-C4'-P energy: -122.350 tors. eta vs tors. theta energy: -225.280 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: 135 Temperature: 0.950000 Total energy: -2726.257500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.257500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.257500 (E_RNA) where: Base-Base interactions energy: -1884.783 where: short stacking energy: -778.265 Base-Backbone interact. energy: -5.503 local terms energy: -835.971398 where: bonds (distance) C4'-P energy: -160.156 bonds (distance) P-C4' energy: -163.986 flat angles C4'-P-C4' energy: -162.375 flat angles P-C4'-P energy: -127.499 tors. eta vs tors. theta energy: -221.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -2617.048105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.048105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.048105 (E_RNA) where: Base-Base interactions energy: -1810.979 where: short stacking energy: -757.787 Base-Backbone interact. energy: -2.717 local terms energy: -803.351441 where: bonds (distance) C4'-P energy: -148.483 bonds (distance) P-C4' energy: -141.646 flat angles C4'-P-C4' energy: -181.398 flat angles P-C4'-P energy: -111.952 tors. eta vs tors. theta energy: -219.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -2445.695978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.695978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.695978 (E_RNA) where: Base-Base interactions energy: -1705.741 where: short stacking energy: -728.066 Base-Backbone interact. energy: 0.800 local terms energy: -740.754374 where: bonds (distance) C4'-P energy: -142.714 bonds (distance) P-C4' energy: -136.721 flat angles C4'-P-C4' energy: -180.386 flat angles P-C4'-P energy: -96.599 tors. eta vs tors. theta energy: -184.335 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: 5 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -2318.271227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.271227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.271227 (E_RNA) where: Base-Base interactions energy: -1565.789 where: short stacking energy: -682.331 Base-Backbone interact. energy: 1.123 local terms energy: -753.605497 where: bonds (distance) C4'-P energy: -147.174 bonds (distance) P-C4' energy: -159.409 flat angles C4'-P-C4' energy: -157.902 flat angles P-C4'-P energy: -103.662 tors. eta vs tors. theta energy: -185.458 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: 6, replica: 6 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -2241.770706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.770706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.770706 (E_RNA) where: Base-Base interactions energy: -1529.329 where: short stacking energy: -678.765 Base-Backbone interact. energy: 1.860 local terms energy: -714.301727 where: bonds (distance) C4'-P energy: -139.489 bonds (distance) P-C4' energy: -132.715 flat angles C4'-P-C4' energy: -150.707 flat angles P-C4'-P energy: -112.598 tors. eta vs tors. theta energy: -178.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1862.412569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.412569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.412569 (E_RNA) where: Base-Base interactions energy: -1228.992 where: short stacking energy: -567.494 Base-Backbone interact. energy: 2.932 local terms energy: -636.352714 where: bonds (distance) C4'-P energy: -122.188 bonds (distance) P-C4' energy: -140.770 flat angles C4'-P-C4' energy: -147.761 flat angles P-C4'-P energy: -104.401 tors. eta vs tors. theta energy: -121.233 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: 8, replica: 2 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1610.363429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.363429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.363429 (E_RNA) where: Base-Base interactions energy: -1029.028 where: short stacking energy: -446.206 Base-Backbone interact. energy: 5.574 local terms energy: -586.909247 where: bonds (distance) C4'-P energy: -127.166 bonds (distance) P-C4' energy: -135.663 flat angles C4'-P-C4' energy: -155.333 flat angles P-C4'-P energy: -83.014 tors. eta vs tors. theta energy: -85.733 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: 9, replica: 3 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -1234.352713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.352713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.352713 (E_RNA) where: Base-Base interactions energy: -745.321 where: short stacking energy: -389.851 Base-Backbone interact. energy: -4.253 local terms energy: -484.779204 where: bonds (distance) C4'-P energy: -111.459 bonds (distance) P-C4' energy: -127.482 flat angles C4'-P-C4' energy: -119.311 flat angles P-C4'-P energy: -67.058 tors. eta vs tors. theta energy: -59.469 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: 10, replica: 1 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -890.094099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.094099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.094099 (E_RNA) where: Base-Base interactions energy: -434.335 where: short stacking energy: -239.889 Base-Backbone interact. energy: 1.320 local terms energy: -457.079284 where: bonds (distance) C4'-P energy: -115.075 bonds (distance) P-C4' energy: -149.527 flat angles C4'-P-C4' energy: -105.406 flat angles P-C4'-P energy: -72.237 tors. eta vs tors. theta energy: -14.835 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: 1, replica: 4 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -2809.769322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.769322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.769322 (E_RNA) where: Base-Base interactions energy: -1960.003 where: short stacking energy: -841.447 Base-Backbone interact. energy: -0.725 local terms energy: -849.040931 where: bonds (distance) C4'-P energy: -157.254 bonds (distance) P-C4' energy: -164.144 flat angles C4'-P-C4' energy: -180.527 flat angles P-C4'-P energy: -120.188 tors. eta vs tors. theta energy: -226.929 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: 8 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -2701.079705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.079705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.079705 (E_RNA) where: Base-Base interactions energy: -1834.687 where: short stacking energy: -775.724 Base-Backbone interact. energy: -6.325 local terms energy: -860.067572 where: bonds (distance) C4'-P energy: -162.352 bonds (distance) P-C4' energy: -163.678 flat angles C4'-P-C4' energy: -186.185 flat angles P-C4'-P energy: -129.550 tors. eta vs tors. theta energy: -218.302 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: 3, replica: 10 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -2633.840890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.840890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.840890 (E_RNA) where: Base-Base interactions energy: -1841.017 where: short stacking energy: -792.938 Base-Backbone interact. energy: -3.966 local terms energy: -788.857512 where: bonds (distance) C4'-P energy: -145.855 bonds (distance) P-C4' energy: -161.379 flat angles C4'-P-C4' energy: -163.485 flat angles P-C4'-P energy: -105.258 tors. eta vs tors. theta energy: -212.881 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: 7 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -2390.557676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.557676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.557676 (E_RNA) where: Base-Base interactions energy: -1635.127 where: short stacking energy: -704.662 Base-Backbone interact. energy: -2.548 local terms energy: -752.883412 where: bonds (distance) C4'-P energy: -140.598 bonds (distance) P-C4' energy: -143.299 flat angles C4'-P-C4' energy: -161.186 flat angles P-C4'-P energy: -116.686 tors. eta vs tors. theta energy: -191.114 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: 5, replica: 5 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -2349.351259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.351259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.351259 (E_RNA) where: Base-Base interactions energy: -1623.605 where: short stacking energy: -681.716 Base-Backbone interact. energy: -3.100 local terms energy: -722.646176 where: bonds (distance) C4'-P energy: -131.663 bonds (distance) P-C4' energy: -148.794 flat angles C4'-P-C4' energy: -169.498 flat angles P-C4'-P energy: -88.839 tors. eta vs tors. theta energy: -183.852 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: 6, replica: 6 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -2270.933772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.933772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.933772 (E_RNA) where: Base-Base interactions energy: -1548.361 where: short stacking energy: -681.022 Base-Backbone interact. energy: -4.646 local terms energy: -717.926469 where: bonds (distance) C4'-P energy: -116.317 bonds (distance) P-C4' energy: -153.207 flat angles C4'-P-C4' energy: -166.895 flat angles P-C4'-P energy: -102.658 tors. eta vs tors. theta energy: -178.849 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: 7, replica: 9 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1895.704553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.704553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.704553 (E_RNA) where: Base-Base interactions energy: -1226.991 where: short stacking energy: -581.603 Base-Backbone interact. energy: 0.874 local terms energy: -669.587404 where: bonds (distance) C4'-P energy: -122.555 bonds (distance) P-C4' energy: -136.192 flat angles C4'-P-C4' energy: -155.153 flat angles P-C4'-P energy: -110.469 tors. eta vs tors. theta energy: -145.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1676.899144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.899144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.899144 (E_RNA) where: Base-Base interactions energy: -1092.798 where: short stacking energy: -493.574 Base-Backbone interact. energy: -1.391 local terms energy: -582.710551 where: bonds (distance) C4'-P energy: -132.130 bonds (distance) P-C4' energy: -122.790 flat angles C4'-P-C4' energy: -149.606 flat angles P-C4'-P energy: -78.140 tors. eta vs tors. theta energy: -100.044 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: 9, replica: 3 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -1184.866440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.866440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.866440 (E_RNA) where: Base-Base interactions energy: -670.214 where: short stacking energy: -317.876 Base-Backbone interact. energy: 5.534 local terms energy: -520.186810 where: bonds (distance) C4'-P energy: -148.626 bonds (distance) P-C4' energy: -144.298 flat angles C4'-P-C4' energy: -128.176 flat angles P-C4'-P energy: -81.458 tors. eta vs tors. theta energy: -17.629 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: 10, replica: 1 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -837.152185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.152185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.152185 (E_RNA) where: Base-Base interactions energy: -398.176 where: short stacking energy: -243.689 Base-Backbone interact. energy: 3.719 local terms energy: -442.695172 where: bonds (distance) C4'-P energy: -120.017 bonds (distance) P-C4' energy: -135.019 flat angles C4'-P-C4' energy: -106.457 flat angles P-C4'-P energy: -70.258 tors. eta vs tors. theta energy: -10.944 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: 1, replica: 4 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -2785.099122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.099122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.099122 (E_RNA) where: Base-Base interactions energy: -1936.166 where: short stacking energy: -842.921 Base-Backbone interact. energy: -6.328 local terms energy: -842.604867 where: bonds (distance) C4'-P energy: -154.813 bonds (distance) P-C4' energy: -166.081 flat angles C4'-P-C4' energy: -191.977 flat angles P-C4'-P energy: -110.691 tors. eta vs tors. theta energy: -219.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -2704.131654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.131654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.131654 (E_RNA) where: Base-Base interactions energy: -1877.098 where: short stacking energy: -772.740 Base-Backbone interact. energy: -2.104 local terms energy: -824.929819 where: bonds (distance) C4'-P energy: -162.675 bonds (distance) P-C4' energy: -156.527 flat angles C4'-P-C4' energy: -179.757 flat angles P-C4'-P energy: -111.221 tors. eta vs tors. theta energy: -214.749 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: 10 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -2665.517927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.517927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.517927 (E_RNA) where: Base-Base interactions energy: -1872.215 where: short stacking energy: -790.217 Base-Backbone interact. energy: -1.941 local terms energy: -791.362139 where: bonds (distance) C4'-P energy: -151.061 bonds (distance) P-C4' energy: -134.283 flat angles C4'-P-C4' energy: -169.505 flat angles P-C4'-P energy: -103.470 tors. eta vs tors. theta energy: -233.044 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: 7 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -2415.130949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.130949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.130949 (E_RNA) where: Base-Base interactions energy: -1686.354 where: short stacking energy: -681.448 Base-Backbone interact. energy: 0.275 local terms energy: -729.051629 where: bonds (distance) C4'-P energy: -144.792 bonds (distance) P-C4' energy: -141.103 flat angles C4'-P-C4' energy: -157.109 flat angles P-C4'-P energy: -105.563 tors. eta vs tors. theta energy: -180.484 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: 5, replica: 5 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -2335.206431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.206431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.206431 (E_RNA) where: Base-Base interactions energy: -1611.211 where: short stacking energy: -682.422 Base-Backbone interact. energy: -4.523 local terms energy: -719.472674 where: bonds (distance) C4'-P energy: -127.081 bonds (distance) P-C4' energy: -160.435 flat angles C4'-P-C4' energy: -149.684 flat angles P-C4'-P energy: -107.573 tors. eta vs tors. theta energy: -174.700 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: 6 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -2263.524929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.524929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.524929 (E_RNA) where: Base-Base interactions energy: -1550.667 where: short stacking energy: -698.286 Base-Backbone interact. energy: 2.896 local terms energy: -715.753369 where: bonds (distance) C4'-P energy: -143.133 bonds (distance) P-C4' energy: -124.662 flat angles C4'-P-C4' energy: -163.719 flat angles P-C4'-P energy: -104.217 tors. eta vs tors. theta energy: -180.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1871.481817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.481817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.481817 (E_RNA) where: Base-Base interactions energy: -1228.030 where: short stacking energy: -566.520 Base-Backbone interact. energy: -3.490 local terms energy: -639.961345 where: bonds (distance) C4'-P energy: -140.268 bonds (distance) P-C4' energy: -131.208 flat angles C4'-P-C4' energy: -153.319 flat angles P-C4'-P energy: -83.444 tors. eta vs tors. theta energy: -131.722 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: 8, replica: 2 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1614.327158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.327158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.327158 (E_RNA) where: Base-Base interactions energy: -1022.596 where: short stacking energy: -480.369 Base-Backbone interact. energy: 10.884 local terms energy: -602.615178 where: bonds (distance) C4'-P energy: -114.853 bonds (distance) P-C4' energy: -138.487 flat angles C4'-P-C4' energy: -158.972 flat angles P-C4'-P energy: -87.014 tors. eta vs tors. theta energy: -103.288 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: 9, replica: 3 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -1144.121486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.121486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.121486 (E_RNA) where: Base-Base interactions energy: -680.000 where: short stacking energy: -309.243 Base-Backbone interact. energy: 2.311 local terms energy: -466.432495 where: bonds (distance) C4'-P energy: -112.222 bonds (distance) P-C4' energy: -141.532 flat angles C4'-P-C4' energy: -104.222 flat angles P-C4'-P energy: -88.472 tors. eta vs tors. theta energy: -19.983 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: 10, replica: 1 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -830.165452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.165452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.165452 (E_RNA) where: Base-Base interactions energy: -381.073 where: short stacking energy: -226.119 Base-Backbone interact. energy: 2.338 local terms energy: -451.430578 where: bonds (distance) C4'-P energy: -119.145 bonds (distance) P-C4' energy: -141.823 flat angles C4'-P-C4' energy: -125.487 flat angles P-C4'-P energy: -67.124 tors. eta vs tors. theta energy: 2.148 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: 4 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -2796.032755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.032755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.032755 (E_RNA) where: Base-Base interactions energy: -1944.979 where: short stacking energy: -819.798 Base-Backbone interact. energy: -6.297 local terms energy: -844.756943 where: bonds (distance) C4'-P energy: -172.166 bonds (distance) P-C4' energy: -149.865 flat angles C4'-P-C4' energy: -172.599 flat angles P-C4'-P energy: -133.110 tors. eta vs tors. theta energy: -217.018 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: 8 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2695.665615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.665615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.665615 (E_RNA) where: Base-Base interactions energy: -1867.019 where: short stacking energy: -792.056 Base-Backbone interact. energy: -2.391 local terms energy: -826.255691 where: bonds (distance) C4'-P energy: -152.397 bonds (distance) P-C4' energy: -172.733 flat angles C4'-P-C4' energy: -176.681 flat angles P-C4'-P energy: -105.443 tors. eta vs tors. theta energy: -219.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -2675.676284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.676284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.676284 (E_RNA) where: Base-Base interactions energy: -1879.219 where: short stacking energy: -802.661 Base-Backbone interact. energy: -2.675 local terms energy: -793.782123 where: bonds (distance) C4'-P energy: -136.412 bonds (distance) P-C4' energy: -143.093 flat angles C4'-P-C4' energy: -187.013 flat angles P-C4'-P energy: -112.344 tors. eta vs tors. theta energy: -214.920 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: 4, replica: 7 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -2425.919196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.919196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.919196 (E_RNA) where: Base-Base interactions energy: -1666.190 where: short stacking energy: -717.263 Base-Backbone interact. energy: 1.800 local terms energy: -761.529063 where: bonds (distance) C4'-P energy: -132.221 bonds (distance) P-C4' energy: -159.663 flat angles C4'-P-C4' energy: -159.247 flat angles P-C4'-P energy: -109.786 tors. eta vs tors. theta energy: -200.612 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: 5, replica: 5 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -2364.563939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.563939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.563939 (E_RNA) where: Base-Base interactions energy: -1626.341 where: short stacking energy: -684.114 Base-Backbone interact. energy: -4.768 local terms energy: -733.454128 where: bonds (distance) C4'-P energy: -142.025 bonds (distance) P-C4' energy: -141.432 flat angles C4'-P-C4' energy: -155.652 flat angles P-C4'-P energy: -115.721 tors. eta vs tors. theta energy: -178.625 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: 6, replica: 6 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -2242.653818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.653818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.653818 (E_RNA) where: Base-Base interactions energy: -1522.601 where: short stacking energy: -679.808 Base-Backbone interact. energy: -2.698 local terms energy: -717.355611 where: bonds (distance) C4'-P energy: -144.461 bonds (distance) P-C4' energy: -139.688 flat angles C4'-P-C4' energy: -177.374 flat angles P-C4'-P energy: -82.069 tors. eta vs tors. theta energy: -173.763 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: 7, replica: 9 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1955.397275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.397275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.397275 (E_RNA) where: Base-Base interactions energy: -1307.774 where: short stacking energy: -599.313 Base-Backbone interact. energy: -2.646 local terms energy: -644.977700 where: bonds (distance) C4'-P energy: -127.514 bonds (distance) P-C4' energy: -140.886 flat angles C4'-P-C4' energy: -152.016 flat angles P-C4'-P energy: -83.648 tors. eta vs tors. theta energy: -140.914 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: 8, replica: 2 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1523.116234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.116234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.116234 (E_RNA) where: Base-Base interactions energy: -957.876 where: short stacking energy: -458.699 Base-Backbone interact. energy: 1.328 local terms energy: -566.568374 where: bonds (distance) C4'-P energy: -125.082 bonds (distance) P-C4' energy: -152.068 flat angles C4'-P-C4' energy: -136.347 flat angles P-C4'-P energy: -74.711 tors. eta vs tors. theta energy: -78.361 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: 3 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -1242.990252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.990252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.990252 (E_RNA) where: Base-Base interactions energy: -762.460 where: short stacking energy: -362.314 Base-Backbone interact. energy: 4.636 local terms energy: -485.166365 where: bonds (distance) C4'-P energy: -92.608 bonds (distance) P-C4' energy: -136.212 flat angles C4'-P-C4' energy: -121.701 flat angles P-C4'-P energy: -94.416 tors. eta vs tors. theta energy: -40.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -907.455069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.455069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.455069 (E_RNA) where: Base-Base interactions energy: -476.733 where: short stacking energy: -280.880 Base-Backbone interact. energy: 3.814 local terms energy: -434.535958 where: bonds (distance) C4'-P energy: -109.932 bonds (distance) P-C4' energy: -138.488 flat angles C4'-P-C4' energy: -114.207 flat angles P-C4'-P energy: -67.270 tors. eta vs tors. theta energy: -4.639 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: 4 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -2813.371749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.371749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.371749 (E_RNA) where: Base-Base interactions energy: -1949.254 where: short stacking energy: -818.595 Base-Backbone interact. energy: -0.640 local terms energy: -863.477983 where: bonds (distance) C4'-P energy: -165.620 bonds (distance) P-C4' energy: -155.115 flat angles C4'-P-C4' energy: -197.974 flat angles P-C4'-P energy: -122.577 tors. eta vs tors. theta energy: -222.192 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: 2, replica: 10 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2733.141593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.141593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.141593 (E_RNA) where: Base-Base interactions energy: -1915.664 where: short stacking energy: -792.383 Base-Backbone interact. energy: -2.267 local terms energy: -815.210549 where: bonds (distance) C4'-P energy: -144.308 bonds (distance) P-C4' energy: -157.241 flat angles C4'-P-C4' energy: -178.274 flat angles P-C4'-P energy: -124.574 tors. eta vs tors. theta energy: -210.813 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: 8 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -2691.348967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.348967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.348967 (E_RNA) where: Base-Base interactions energy: -1859.596 where: short stacking energy: -793.644 Base-Backbone interact. energy: -4.554 local terms energy: -827.198527 where: bonds (distance) C4'-P energy: -164.968 bonds (distance) P-C4' energy: -159.689 flat angles C4'-P-C4' energy: -181.015 flat angles P-C4'-P energy: -102.925 tors. eta vs tors. theta energy: -218.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -2499.197706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.197706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.197706 (E_RNA) where: Base-Base interactions energy: -1700.118 where: short stacking energy: -726.646 Base-Backbone interact. energy: 1.452 local terms energy: -800.531973 where: bonds (distance) C4'-P energy: -147.478 bonds (distance) P-C4' energy: -159.584 flat angles C4'-P-C4' energy: -168.308 flat angles P-C4'-P energy: -116.430 tors. eta vs tors. theta energy: -208.732 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: 5, replica: 5 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -2271.354508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.354508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.354508 (E_RNA) where: Base-Base interactions energy: -1552.368 where: short stacking energy: -654.981 Base-Backbone interact. energy: -1.805 local terms energy: -717.180946 where: bonds (distance) C4'-P energy: -137.109 bonds (distance) P-C4' energy: -156.286 flat angles C4'-P-C4' energy: -148.996 flat angles P-C4'-P energy: -105.161 tors. eta vs tors. theta energy: -169.629 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: 6 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -2288.522126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.522126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.522126 (E_RNA) where: Base-Base interactions energy: -1571.315 where: short stacking energy: -688.516 Base-Backbone interact. energy: -2.020 local terms energy: -715.186782 where: bonds (distance) C4'-P energy: -141.664 bonds (distance) P-C4' energy: -139.032 flat angles C4'-P-C4' energy: -157.271 flat angles P-C4'-P energy: -87.215 tors. eta vs tors. theta energy: -190.005 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: 9 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1921.569384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.569384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.569384 (E_RNA) where: Base-Base interactions energy: -1283.459 where: short stacking energy: -574.138 Base-Backbone interact. energy: 0.130 local terms energy: -638.240274 where: bonds (distance) C4'-P energy: -125.886 bonds (distance) P-C4' energy: -128.024 flat angles C4'-P-C4' energy: -153.084 flat angles P-C4'-P energy: -85.043 tors. eta vs tors. theta energy: -146.204 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: 2 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1539.175053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.175053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.175053 (E_RNA) where: Base-Base interactions energy: -952.361 where: short stacking energy: -435.473 Base-Backbone interact. energy: -0.571 local terms energy: -586.243667 where: bonds (distance) C4'-P energy: -136.676 bonds (distance) P-C4' energy: -133.399 flat angles C4'-P-C4' energy: -136.838 flat angles P-C4'-P energy: -82.241 tors. eta vs tors. theta energy: -97.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -1238.180265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.180265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.180265 (E_RNA) where: Base-Base interactions energy: -751.258 where: short stacking energy: -352.003 Base-Backbone interact. energy: 0.952 local terms energy: -487.874504 where: bonds (distance) C4'-P energy: -113.637 bonds (distance) P-C4' energy: -145.550 flat angles C4'-P-C4' energy: -127.719 flat angles P-C4'-P energy: -75.103 tors. eta vs tors. theta energy: -25.866 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: 10, replica: 1 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -733.828649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.828649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.828649 (E_RNA) where: Base-Base interactions energy: -315.338 where: short stacking energy: -223.631 Base-Backbone interact. energy: -1.735 local terms energy: -416.755746 where: bonds (distance) C4'-P energy: -120.623 bonds (distance) P-C4' energy: -128.442 flat angles C4'-P-C4' energy: -129.791 flat angles P-C4'-P energy: -60.050 tors. eta vs tors. theta energy: 22.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -2783.469307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.469307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.469307 (E_RNA) where: Base-Base interactions energy: -1923.415 where: short stacking energy: -815.259 Base-Backbone interact. energy: -1.543 local terms energy: -858.510946 where: bonds (distance) C4'-P energy: -165.536 bonds (distance) P-C4' energy: -181.867 flat angles C4'-P-C4' energy: -175.276 flat angles P-C4'-P energy: -124.681 tors. eta vs tors. theta energy: -211.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -2750.816728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.816728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.816728 (E_RNA) where: Base-Base interactions energy: -1897.175 where: short stacking energy: -841.426 Base-Backbone interact. energy: 0.401 local terms energy: -854.042558 where: bonds (distance) C4'-P energy: -156.916 bonds (distance) P-C4' energy: -166.031 flat angles C4'-P-C4' energy: -184.750 flat angles P-C4'-P energy: -126.450 tors. eta vs tors. theta energy: -219.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -2697.514681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.514681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.514681 (E_RNA) where: Base-Base interactions energy: -1875.351 where: short stacking energy: -799.420 Base-Backbone interact. energy: -1.725 local terms energy: -820.438943 where: bonds (distance) C4'-P energy: -147.314 bonds (distance) P-C4' energy: -147.736 flat angles C4'-P-C4' energy: -182.945 flat angles P-C4'-P energy: -112.738 tors. eta vs tors. theta energy: -229.705 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: 7 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -2482.820178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.820178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.820178 (E_RNA) where: Base-Base interactions energy: -1713.470 where: short stacking energy: -765.105 Base-Backbone interact. energy: -2.009 local terms energy: -767.340609 where: bonds (distance) C4'-P energy: -140.709 bonds (distance) P-C4' energy: -151.047 flat angles C4'-P-C4' energy: -170.315 flat angles P-C4'-P energy: -96.455 tors. eta vs tors. theta energy: -208.814 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: 6 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -2385.891433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.891433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.891433 (E_RNA) where: Base-Base interactions energy: -1621.136 where: short stacking energy: -713.078 Base-Backbone interact. energy: -3.982 local terms energy: -760.773676 where: bonds (distance) C4'-P energy: -148.744 bonds (distance) P-C4' energy: -127.138 flat angles C4'-P-C4' energy: -178.365 flat angles P-C4'-P energy: -110.972 tors. eta vs tors. theta energy: -195.554 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: 5 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -2224.328339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.328339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.328339 (E_RNA) where: Base-Base interactions energy: -1527.284 where: short stacking energy: -655.481 Base-Backbone interact. energy: -3.599 local terms energy: -693.445123 where: bonds (distance) C4'-P energy: -133.267 bonds (distance) P-C4' energy: -141.037 flat angles C4'-P-C4' energy: -150.979 flat angles P-C4'-P energy: -103.929 tors. eta vs tors. theta energy: -164.233 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: 9 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1953.630611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.630611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.630611 (E_RNA) where: Base-Base interactions energy: -1300.466 where: short stacking energy: -542.765 Base-Backbone interact. energy: 1.398 local terms energy: -654.563203 where: bonds (distance) C4'-P energy: -139.251 bonds (distance) P-C4' energy: -152.563 flat angles C4'-P-C4' energy: -155.744 flat angles P-C4'-P energy: -96.223 tors. eta vs tors. theta energy: -110.781 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: 2 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1584.869060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.869060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.869060 (E_RNA) where: Base-Base interactions energy: -1007.808 where: short stacking energy: -448.315 Base-Backbone interact. energy: -0.099 local terms energy: -576.961766 where: bonds (distance) C4'-P energy: -138.640 bonds (distance) P-C4' energy: -144.089 flat angles C4'-P-C4' energy: -142.760 flat angles P-C4'-P energy: -65.851 tors. eta vs tors. theta energy: -85.621 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: 9, replica: 3 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -1229.611585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.611585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.611585 (E_RNA) where: Base-Base interactions energy: -743.606 where: short stacking energy: -354.923 Base-Backbone interact. energy: -2.382 local terms energy: -483.623378 where: bonds (distance) C4'-P energy: -124.769 bonds (distance) P-C4' energy: -138.909 flat angles C4'-P-C4' energy: -124.613 flat angles P-C4'-P energy: -62.025 tors. eta vs tors. theta energy: -33.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -719.287850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.287850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.287850 (E_RNA) where: Base-Base interactions energy: -317.332 where: short stacking energy: -222.698 Base-Backbone interact. energy: 3.845 local terms energy: -405.800294 where: bonds (distance) C4'-P energy: -118.373 bonds (distance) P-C4' energy: -120.492 flat angles C4'-P-C4' energy: -127.056 flat angles P-C4'-P energy: -46.451 tors. eta vs tors. theta energy: 6.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -2790.746899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.746899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.746899 (E_RNA) where: Base-Base interactions energy: -1924.861 where: short stacking energy: -811.732 Base-Backbone interact. energy: -2.203 local terms energy: -863.683434 where: bonds (distance) C4'-P energy: -168.569 bonds (distance) P-C4' energy: -173.652 flat angles C4'-P-C4' energy: -168.727 flat angles P-C4'-P energy: -125.018 tors. eta vs tors. theta energy: -227.718 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: 8 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -2753.972026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.972026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.972026 (E_RNA) where: Base-Base interactions energy: -1905.690 where: short stacking energy: -818.649 Base-Backbone interact. energy: 1.683 local terms energy: -849.964704 where: bonds (distance) C4'-P energy: -140.465 bonds (distance) P-C4' energy: -175.960 flat angles C4'-P-C4' energy: -173.876 flat angles P-C4'-P energy: -119.289 tors. eta vs tors. theta energy: -240.375 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: 3, replica: 10 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -2669.143744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.143744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.143744 (E_RNA) where: Base-Base interactions energy: -1890.143 where: short stacking energy: -805.321 Base-Backbone interact. energy: -1.208 local terms energy: -777.793064 where: bonds (distance) C4'-P energy: -135.993 bonds (distance) P-C4' energy: -151.600 flat angles C4'-P-C4' energy: -169.636 flat angles P-C4'-P energy: -102.829 tors. eta vs tors. theta energy: -217.735 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: 4, replica: 6 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -2425.925049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.925049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.925049 (E_RNA) where: Base-Base interactions energy: -1659.286 where: short stacking energy: -745.669 Base-Backbone interact. energy: 0.014 local terms energy: -766.653269 where: bonds (distance) C4'-P energy: -138.474 bonds (distance) P-C4' energy: -153.682 flat angles C4'-P-C4' energy: -172.366 flat angles P-C4'-P energy: -91.927 tors. eta vs tors. theta energy: -210.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -2389.251015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.251015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.251015 (E_RNA) where: Base-Base interactions energy: -1627.265 where: short stacking energy: -707.814 Base-Backbone interact. energy: 0.063 local terms energy: -762.049417 where: bonds (distance) C4'-P energy: -127.024 bonds (distance) P-C4' energy: -163.294 flat angles C4'-P-C4' energy: -165.728 flat angles P-C4'-P energy: -108.892 tors. eta vs tors. theta energy: -197.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -2264.264956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.264956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.264956 (E_RNA) where: Base-Base interactions energy: -1568.424 where: short stacking energy: -674.418 Base-Backbone interact. energy: 0.820 local terms energy: -696.661112 where: bonds (distance) C4'-P energy: -131.035 bonds (distance) P-C4' energy: -150.571 flat angles C4'-P-C4' energy: -156.180 flat angles P-C4'-P energy: -90.283 tors. eta vs tors. theta energy: -168.593 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: 7, replica: 9 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1863.177975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.177975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.177975 (E_RNA) where: Base-Base interactions energy: -1197.352 where: short stacking energy: -546.766 Base-Backbone interact. energy: -1.926 local terms energy: -663.900146 where: bonds (distance) C4'-P energy: -139.539 bonds (distance) P-C4' energy: -146.289 flat angles C4'-P-C4' energy: -146.908 flat angles P-C4'-P energy: -96.646 tors. eta vs tors. theta energy: -134.519 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: 2 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1547.147139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.147139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.147139 (E_RNA) where: Base-Base interactions energy: -964.140 where: short stacking energy: -494.758 Base-Backbone interact. energy: -0.860 local terms energy: -582.147630 where: bonds (distance) C4'-P energy: -111.574 bonds (distance) P-C4' energy: -153.975 flat angles C4'-P-C4' energy: -135.541 flat angles P-C4'-P energy: -89.023 tors. eta vs tors. theta energy: -92.034 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: 9, replica: 3 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -1166.755875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.755875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.755875 (E_RNA) where: Base-Base interactions energy: -701.542 where: short stacking energy: -335.703 Base-Backbone interact. energy: 4.158 local terms energy: -469.371938 where: bonds (distance) C4'-P energy: -102.880 bonds (distance) P-C4' energy: -134.340 flat angles C4'-P-C4' energy: -120.102 flat angles P-C4'-P energy: -78.620 tors. eta vs tors. theta energy: -33.431 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: 10, replica: 1 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -712.178015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.178015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.178015 (E_RNA) where: Base-Base interactions energy: -306.051 where: short stacking energy: -224.280 Base-Backbone interact. energy: 2.540 local terms energy: -408.666575 where: bonds (distance) C4'-P energy: -106.037 bonds (distance) P-C4' energy: -131.345 flat angles C4'-P-C4' energy: -110.243 flat angles P-C4'-P energy: -74.259 tors. eta vs tors. theta energy: 13.217 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: 1, replica: 4 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -2783.778016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.778016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.778016 (E_RNA) where: Base-Base interactions energy: -1914.041 where: short stacking energy: -817.098 Base-Backbone interact. energy: -6.012 local terms energy: -863.724463 where: bonds (distance) C4'-P energy: -155.469 bonds (distance) P-C4' energy: -165.951 flat angles C4'-P-C4' energy: -179.792 flat angles P-C4'-P energy: -131.129 tors. eta vs tors. theta energy: -231.384 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: 2, replica: 8 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -2747.726750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.726750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.726750 (E_RNA) where: Base-Base interactions energy: -1919.462 where: short stacking energy: -828.570 Base-Backbone interact. energy: 1.252 local terms energy: -829.516674 where: bonds (distance) C4'-P energy: -151.516 bonds (distance) P-C4' energy: -151.339 flat angles C4'-P-C4' energy: -178.007 flat angles P-C4'-P energy: -112.735 tors. eta vs tors. theta energy: -235.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -2680.989110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.989110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.989110 (E_RNA) where: Base-Base interactions energy: -1884.907 where: short stacking energy: -795.913 Base-Backbone interact. energy: -4.934 local terms energy: -791.148183 where: bonds (distance) C4'-P energy: -155.720 bonds (distance) P-C4' energy: -145.458 flat angles C4'-P-C4' energy: -172.280 flat angles P-C4'-P energy: -110.467 tors. eta vs tors. theta energy: -207.223 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: 6 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -2475.516885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.516885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.516885 (E_RNA) where: Base-Base interactions energy: -1678.784 where: short stacking energy: -730.484 Base-Backbone interact. energy: -1.132 local terms energy: -795.600206 where: bonds (distance) C4'-P energy: -147.026 bonds (distance) P-C4' energy: -161.688 flat angles C4'-P-C4' energy: -176.314 flat angles P-C4'-P energy: -107.921 tors. eta vs tors. theta energy: -202.652 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: 5, replica: 7 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -2408.474316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.474316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.474316 (E_RNA) where: Base-Base interactions energy: -1625.308 where: short stacking energy: -719.509 Base-Backbone interact. energy: -1.588 local terms energy: -781.578143 where: bonds (distance) C4'-P energy: -161.111 bonds (distance) P-C4' energy: -145.388 flat angles C4'-P-C4' energy: -175.017 flat angles P-C4'-P energy: -99.918 tors. eta vs tors. theta energy: -200.144 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: 6, replica: 5 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -2231.755578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.755578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.755578 (E_RNA) where: Base-Base interactions energy: -1499.316 where: short stacking energy: -640.381 Base-Backbone interact. energy: -5.404 local terms energy: -727.034914 where: bonds (distance) C4'-P energy: -150.000 bonds (distance) P-C4' energy: -137.713 flat angles C4'-P-C4' energy: -152.063 flat angles P-C4'-P energy: -100.919 tors. eta vs tors. theta energy: -186.340 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: 9 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1980.433328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.433328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.433328 (E_RNA) where: Base-Base interactions energy: -1289.056 where: short stacking energy: -559.784 Base-Backbone interact. energy: -5.169 local terms energy: -686.209149 where: bonds (distance) C4'-P energy: -138.462 bonds (distance) P-C4' energy: -151.223 flat angles C4'-P-C4' energy: -154.442 flat angles P-C4'-P energy: -92.878 tors. eta vs tors. theta energy: -149.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1412.474779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.474779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.474779 (E_RNA) where: Base-Base interactions energy: -868.296 where: short stacking energy: -403.492 Base-Backbone interact. energy: -2.994 local terms energy: -541.185076 where: bonds (distance) C4'-P energy: -142.752 bonds (distance) P-C4' energy: -130.847 flat angles C4'-P-C4' energy: -126.851 flat angles P-C4'-P energy: -80.151 tors. eta vs tors. theta energy: -60.583 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: 9, replica: 3 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -1180.310035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.310035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.310035 (E_RNA) where: Base-Base interactions energy: -697.161 where: short stacking energy: -371.281 Base-Backbone interact. energy: 4.885 local terms energy: -488.034683 where: bonds (distance) C4'-P energy: -134.993 bonds (distance) P-C4' energy: -110.142 flat angles C4'-P-C4' energy: -143.849 flat angles P-C4'-P energy: -68.369 tors. eta vs tors. theta energy: -30.682 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: 10, replica: 1 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -735.187969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.187969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.187969 (E_RNA) where: Base-Base interactions energy: -343.273 where: short stacking energy: -199.472 Base-Backbone interact. energy: 5.820 local terms energy: -397.734785 where: bonds (distance) C4'-P energy: -110.774 bonds (distance) P-C4' energy: -134.732 flat angles C4'-P-C4' energy: -110.819 flat angles P-C4'-P energy: -64.600 tors. eta vs tors. theta energy: 23.190 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: 1, replica: 4 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -2775.360140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.360140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.360140 (E_RNA) where: Base-Base interactions energy: -1924.801 where: short stacking energy: -812.016 Base-Backbone interact. energy: -4.437 local terms energy: -846.121859 where: bonds (distance) C4'-P energy: -157.141 bonds (distance) P-C4' energy: -165.775 flat angles C4'-P-C4' energy: -177.468 flat angles P-C4'-P energy: -116.326 tors. eta vs tors. theta energy: -229.412 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: 2, replica: 8 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2763.997968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.997968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.997968 (E_RNA) where: Base-Base interactions energy: -1907.446 where: short stacking energy: -812.399 Base-Backbone interact. energy: -6.000 local terms energy: -850.551600 where: bonds (distance) C4'-P energy: -147.861 bonds (distance) P-C4' energy: -163.548 flat angles C4'-P-C4' energy: -185.320 flat angles P-C4'-P energy: -133.355 tors. eta vs tors. theta energy: -220.468 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: 10 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -2699.517101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.517101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.517101 (E_RNA) where: Base-Base interactions energy: -1888.523 where: short stacking energy: -803.115 Base-Backbone interact. energy: -1.676 local terms energy: -809.318827 where: bonds (distance) C4'-P energy: -138.956 bonds (distance) P-C4' energy: -155.813 flat angles C4'-P-C4' energy: -171.107 flat angles P-C4'-P energy: -120.039 tors. eta vs tors. theta energy: -223.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -2533.659547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.659547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.659547 (E_RNA) where: Base-Base interactions energy: -1756.330 where: short stacking energy: -743.166 Base-Backbone interact. energy: -3.092 local terms energy: -774.237206 where: bonds (distance) C4'-P energy: -134.310 bonds (distance) P-C4' energy: -154.936 flat angles C4'-P-C4' energy: -163.038 flat angles P-C4'-P energy: -110.404 tors. eta vs tors. theta energy: -211.550 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: 5, replica: 6 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -2415.412903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.412903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.412903 (E_RNA) where: Base-Base interactions energy: -1654.327 where: short stacking energy: -719.076 Base-Backbone interact. energy: -3.584 local terms energy: -757.501806 where: bonds (distance) C4'-P energy: -140.368 bonds (distance) P-C4' energy: -130.734 flat angles C4'-P-C4' energy: -171.859 flat angles P-C4'-P energy: -91.915 tors. eta vs tors. theta energy: -222.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -2269.501132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.501132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.501132 (E_RNA) where: Base-Base interactions energy: -1527.557 where: short stacking energy: -672.194 Base-Backbone interact. energy: 0.160 local terms energy: -742.104286 where: bonds (distance) C4'-P energy: -123.471 bonds (distance) P-C4' energy: -154.548 flat angles C4'-P-C4' energy: -172.308 flat angles P-C4'-P energy: -97.780 tors. eta vs tors. theta energy: -193.998 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: 9 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1925.578911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.578911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.578911 (E_RNA) where: Base-Base interactions energy: -1279.655 where: short stacking energy: -574.822 Base-Backbone interact. energy: -2.565 local terms energy: -643.359030 where: bonds (distance) C4'-P energy: -136.236 bonds (distance) P-C4' energy: -135.361 flat angles C4'-P-C4' energy: -146.544 flat angles P-C4'-P energy: -99.168 tors. eta vs tors. theta energy: -126.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1505.820099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.820099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.820099 (E_RNA) where: Base-Base interactions energy: -961.391 where: short stacking energy: -455.085 Base-Backbone interact. energy: -2.393 local terms energy: -542.036251 where: bonds (distance) C4'-P energy: -128.378 bonds (distance) P-C4' energy: -122.580 flat angles C4'-P-C4' energy: -117.012 flat angles P-C4'-P energy: -84.491 tors. eta vs tors. theta energy: -89.574 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: 9, replica: 3 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -1252.397360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.397360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.397360 (E_RNA) where: Base-Base interactions energy: -759.468 where: short stacking energy: -360.227 Base-Backbone interact. energy: 3.804 local terms energy: -496.733298 where: bonds (distance) C4'-P energy: -120.354 bonds (distance) P-C4' energy: -144.263 flat angles C4'-P-C4' energy: -127.900 flat angles P-C4'-P energy: -72.154 tors. eta vs tors. theta energy: -32.062 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: 1 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -728.470043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.470043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.470043 (E_RNA) where: Base-Base interactions energy: -308.011 where: short stacking energy: -224.526 Base-Backbone interact. energy: 1.576 local terms energy: -422.035418 where: bonds (distance) C4'-P energy: -124.991 bonds (distance) P-C4' energy: -136.776 flat angles C4'-P-C4' energy: -104.741 flat angles P-C4'-P energy: -72.965 tors. eta vs tors. theta energy: 17.437 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: 1, replica: 4 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -2772.437885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.437885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.437885 (E_RNA) where: Base-Base interactions energy: -1917.489 where: short stacking energy: -805.868 Base-Backbone interact. energy: -1.226 local terms energy: -853.722621 where: bonds (distance) C4'-P energy: -173.665 bonds (distance) P-C4' energy: -173.621 flat angles C4'-P-C4' energy: -178.453 flat angles P-C4'-P energy: -102.580 tors. eta vs tors. theta energy: -225.403 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: 2, replica: 8 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -2741.796606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.796606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.796606 (E_RNA) where: Base-Base interactions energy: -1912.667 where: short stacking energy: -821.411 Base-Backbone interact. energy: -4.394 local terms energy: -824.735397 where: bonds (distance) C4'-P energy: -149.932 bonds (distance) P-C4' energy: -162.101 flat angles C4'-P-C4' energy: -173.691 flat angles P-C4'-P energy: -109.112 tors. eta vs tors. theta energy: -229.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -2686.947472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.947472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.947472 (E_RNA) where: Base-Base interactions energy: -1899.221 where: short stacking energy: -797.198 Base-Backbone interact. energy: -1.480 local terms energy: -786.246157 where: bonds (distance) C4'-P energy: -147.726 bonds (distance) P-C4' energy: -136.670 flat angles C4'-P-C4' energy: -172.554 flat angles P-C4'-P energy: -105.275 tors. eta vs tors. theta energy: -224.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -2557.681384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.681384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.681384 (E_RNA) where: Base-Base interactions energy: -1775.248 where: short stacking energy: -768.880 Base-Backbone interact. energy: 1.005 local terms energy: -783.438676 where: bonds (distance) C4'-P energy: -150.206 bonds (distance) P-C4' energy: -145.811 flat angles C4'-P-C4' energy: -163.900 flat angles P-C4'-P energy: -103.289 tors. eta vs tors. theta energy: -220.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -2474.963208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.963208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.963208 (E_RNA) where: Base-Base interactions energy: -1724.978 where: short stacking energy: -742.850 Base-Backbone interact. energy: -0.835 local terms energy: -749.150268 where: bonds (distance) C4'-P energy: -132.562 bonds (distance) P-C4' energy: -142.534 flat angles C4'-P-C4' energy: -164.445 flat angles P-C4'-P energy: -99.486 tors. eta vs tors. theta energy: -210.123 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: 6, replica: 5 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -2210.202507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.202507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.202507 (E_RNA) where: Base-Base interactions energy: -1472.077 where: short stacking energy: -632.306 Base-Backbone interact. energy: -2.524 local terms energy: -735.601909 where: bonds (distance) C4'-P energy: -123.083 bonds (distance) P-C4' energy: -164.457 flat angles C4'-P-C4' energy: -167.710 flat angles P-C4'-P energy: -98.154 tors. eta vs tors. theta energy: -182.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1884.003781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.003781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.003781 (E_RNA) where: Base-Base interactions energy: -1261.089 where: short stacking energy: -543.541 Base-Backbone interact. energy: 8.705 local terms energy: -631.620283 where: bonds (distance) C4'-P energy: -123.457 bonds (distance) P-C4' energy: -141.022 flat angles C4'-P-C4' energy: -157.293 flat angles P-C4'-P energy: -91.196 tors. eta vs tors. theta energy: -118.651 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: 2 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1484.900725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.900725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.900725 (E_RNA) where: Base-Base interactions energy: -932.599 where: short stacking energy: -442.579 Base-Backbone interact. energy: -1.632 local terms energy: -550.669698 where: bonds (distance) C4'-P energy: -131.023 bonds (distance) P-C4' energy: -145.327 flat angles C4'-P-C4' energy: -133.774 flat angles P-C4'-P energy: -80.106 tors. eta vs tors. theta energy: -60.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -1216.497855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.497855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.497855 (E_RNA) where: Base-Base interactions energy: -747.115 where: short stacking energy: -352.511 Base-Backbone interact. energy: 0.467 local terms energy: -469.850410 where: bonds (distance) C4'-P energy: -111.510 bonds (distance) P-C4' energy: -138.935 flat angles C4'-P-C4' energy: -127.934 flat angles P-C4'-P energy: -66.606 tors. eta vs tors. theta energy: -24.865 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: 10, replica: 1 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -725.067147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.067147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.067147 (E_RNA) where: Base-Base interactions energy: -320.729 where: short stacking energy: -216.835 Base-Backbone interact. energy: 2.017 local terms energy: -406.355777 where: bonds (distance) C4'-P energy: -126.696 bonds (distance) P-C4' energy: -148.857 flat angles C4'-P-C4' energy: -106.330 flat angles P-C4'-P energy: -49.440 tors. eta vs tors. theta energy: 24.967 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: 1, replica: 4 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -2763.948640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.948640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.948640 (E_RNA) where: Base-Base interactions energy: -1914.843 where: short stacking energy: -815.006 Base-Backbone interact. energy: -3.698 local terms energy: -845.408284 where: bonds (distance) C4'-P energy: -159.952 bonds (distance) P-C4' energy: -150.466 flat angles C4'-P-C4' energy: -191.813 flat angles P-C4'-P energy: -123.849 tors. eta vs tors. theta energy: -219.329 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: 8 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -2711.517563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.517563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.517563 (E_RNA) where: Base-Base interactions energy: -1864.716 where: short stacking energy: -793.096 Base-Backbone interact. energy: -4.288 local terms energy: -842.512841 where: bonds (distance) C4'-P energy: -160.594 bonds (distance) P-C4' energy: -159.976 flat angles C4'-P-C4' energy: -186.340 flat angles P-C4'-P energy: -124.931 tors. eta vs tors. theta energy: -210.671 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: 10 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -2657.146432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.146432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.146432 (E_RNA) where: Base-Base interactions energy: -1884.834 where: short stacking energy: -798.935 Base-Backbone interact. energy: -2.024 local terms energy: -770.288604 where: bonds (distance) C4'-P energy: -162.982 bonds (distance) P-C4' energy: -144.685 flat angles C4'-P-C4' energy: -150.278 flat angles P-C4'-P energy: -100.230 tors. eta vs tors. theta energy: -212.113 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: 4, replica: 6 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -2560.088387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.088387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.088387 (E_RNA) where: Base-Base interactions energy: -1756.818 where: short stacking energy: -741.320 Base-Backbone interact. energy: -5.346 local terms energy: -797.924166 where: bonds (distance) C4'-P energy: -143.577 bonds (distance) P-C4' energy: -153.542 flat angles C4'-P-C4' energy: -181.009 flat angles P-C4'-P energy: -103.670 tors. eta vs tors. theta energy: -216.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -2443.224478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.224478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.224478 (E_RNA) where: Base-Base interactions energy: -1676.482 where: short stacking energy: -746.617 Base-Backbone interact. energy: 4.185 local terms energy: -770.927034 where: bonds (distance) C4'-P energy: -143.049 bonds (distance) P-C4' energy: -146.912 flat angles C4'-P-C4' energy: -169.787 flat angles P-C4'-P energy: -102.889 tors. eta vs tors. theta energy: -208.290 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: 145 Temperature: 1.150000 Total energy: -2168.424766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.424766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.424766 (E_RNA) where: Base-Base interactions energy: -1484.989 where: short stacking energy: -667.243 Base-Backbone interact. energy: -0.287 local terms energy: -683.149030 where: bonds (distance) C4'-P energy: -151.199 bonds (distance) P-C4' energy: -133.837 flat angles C4'-P-C4' energy: -144.469 flat angles P-C4'-P energy: -91.135 tors. eta vs tors. theta energy: -162.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1927.483728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.483728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.483728 (E_RNA) where: Base-Base interactions energy: -1273.262 where: short stacking energy: -551.456 Base-Backbone interact. energy: 0.381 local terms energy: -654.602691 where: bonds (distance) C4'-P energy: -148.419 bonds (distance) P-C4' energy: -137.775 flat angles C4'-P-C4' energy: -149.463 flat angles P-C4'-P energy: -96.685 tors. eta vs tors. theta energy: -122.262 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: 2 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1413.289687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.289687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.289687 (E_RNA) where: Base-Base interactions energy: -872.937 where: short stacking energy: -432.490 Base-Backbone interact. energy: -0.257 local terms energy: -540.095560 where: bonds (distance) C4'-P energy: -127.748 bonds (distance) P-C4' energy: -151.622 flat angles C4'-P-C4' energy: -121.177 flat angles P-C4'-P energy: -76.806 tors. eta vs tors. theta energy: -62.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -1205.434323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.434323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.434323 (E_RNA) where: Base-Base interactions energy: -705.213 where: short stacking energy: -352.309 Base-Backbone interact. energy: -1.875 local terms energy: -498.345563 where: bonds (distance) C4'-P energy: -119.651 bonds (distance) P-C4' energy: -138.448 flat angles C4'-P-C4' energy: -122.692 flat angles P-C4'-P energy: -91.686 tors. eta vs tors. theta energy: -25.869 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: 10, replica: 1 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -792.775812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.775812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.775812 (E_RNA) where: Base-Base interactions energy: -352.211 where: short stacking energy: -240.287 Base-Backbone interact. energy: -0.139 local terms energy: -440.425383 where: bonds (distance) C4'-P energy: -109.068 bonds (distance) P-C4' energy: -118.864 flat angles C4'-P-C4' energy: -128.395 flat angles P-C4'-P energy: -75.236 tors. eta vs tors. theta energy: -8.863 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: 4 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -2760.092642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.092642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.092642 (E_RNA) where: Base-Base interactions energy: -1911.544 where: short stacking energy: -813.989 Base-Backbone interact. energy: -2.225 local terms energy: -846.323228 where: bonds (distance) C4'-P energy: -151.800 bonds (distance) P-C4' energy: -171.930 flat angles C4'-P-C4' energy: -176.054 flat angles P-C4'-P energy: -126.641 tors. eta vs tors. theta energy: -219.898 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: 2, replica: 8 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -2739.558438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.558438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.558438 (E_RNA) where: Base-Base interactions energy: -1893.638 where: short stacking energy: -813.273 Base-Backbone interact. energy: -9.792 local terms energy: -836.128023 where: bonds (distance) C4'-P energy: -156.072 bonds (distance) P-C4' energy: -140.706 flat angles C4'-P-C4' energy: -186.821 flat angles P-C4'-P energy: -117.707 tors. eta vs tors. theta energy: -234.822 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: 10 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -2635.557690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.557690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.557690 (E_RNA) where: Base-Base interactions energy: -1821.383 where: short stacking energy: -803.888 Base-Backbone interact. energy: -2.901 local terms energy: -811.273931 where: bonds (distance) C4'-P energy: -142.902 bonds (distance) P-C4' energy: -175.518 flat angles C4'-P-C4' energy: -161.697 flat angles P-C4'-P energy: -117.968 tors. eta vs tors. theta energy: -213.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -2592.149680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.149680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.149680 (E_RNA) where: Base-Base interactions energy: -1789.528 where: short stacking energy: -775.955 Base-Backbone interact. energy: -1.369 local terms energy: -801.252700 where: bonds (distance) C4'-P energy: -149.811 bonds (distance) P-C4' energy: -139.513 flat angles C4'-P-C4' energy: -162.383 flat angles P-C4'-P energy: -119.713 tors. eta vs tors. theta energy: -229.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -2437.485252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.485252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.485252 (E_RNA) where: Base-Base interactions energy: -1684.431 where: short stacking energy: -715.145 Base-Backbone interact. energy: 1.180 local terms energy: -754.234635 where: bonds (distance) C4'-P energy: -159.782 bonds (distance) P-C4' energy: -146.582 flat angles C4'-P-C4' energy: -161.941 flat angles P-C4'-P energy: -92.875 tors. eta vs tors. theta energy: -193.054 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: 6, replica: 5 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -2143.915724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.915724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.915724 (E_RNA) where: Base-Base interactions energy: -1439.042 where: short stacking energy: -625.362 Base-Backbone interact. energy: -3.530 local terms energy: -701.343820 where: bonds (distance) C4'-P energy: -132.397 bonds (distance) P-C4' energy: -137.993 flat angles C4'-P-C4' energy: -160.992 flat angles P-C4'-P energy: -101.054 tors. eta vs tors. theta energy: -168.907 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: 146 Temperature: 1.200000 Total energy: -1902.535719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.535719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.535719 (E_RNA) where: Base-Base interactions energy: -1270.768 where: short stacking energy: -546.885 Base-Backbone interact. energy: 4.530 local terms energy: -636.298005 where: bonds (distance) C4'-P energy: -116.994 bonds (distance) P-C4' energy: -150.311 flat angles C4'-P-C4' energy: -145.676 flat angles P-C4'-P energy: -97.139 tors. eta vs tors. theta energy: -126.178 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: 8, replica: 2 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1390.705996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.705996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.705996 (E_RNA) where: Base-Base interactions energy: -869.121 where: short stacking energy: -393.915 Base-Backbone interact. energy: 1.191 local terms energy: -522.776162 where: bonds (distance) C4'-P energy: -121.909 bonds (distance) P-C4' energy: -118.164 flat angles C4'-P-C4' energy: -140.052 flat angles P-C4'-P energy: -84.849 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: 9, replica: 3 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -1193.381340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.381340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.381340 (E_RNA) where: Base-Base interactions energy: -693.190 where: short stacking energy: -333.575 Base-Backbone interact. energy: -2.307 local terms energy: -497.883888 where: bonds (distance) C4'-P energy: -109.297 bonds (distance) P-C4' energy: -146.397 flat angles C4'-P-C4' energy: -112.787 flat angles P-C4'-P energy: -92.555 tors. eta vs tors. theta energy: -36.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -730.934341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.934341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.934341 (E_RNA) where: Base-Base interactions energy: -335.055 where: short stacking energy: -223.951 Base-Backbone interact. energy: -0.984 local terms energy: -394.895023 where: bonds (distance) C4'-P energy: -99.898 bonds (distance) P-C4' energy: -147.414 flat angles C4'-P-C4' energy: -96.024 flat angles P-C4'-P energy: -77.069 tors. eta vs tors. theta energy: 25.510 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: 1, replica: 4 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -2770.584548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.584548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.584548 (E_RNA) where: Base-Base interactions energy: -1917.007 where: short stacking energy: -806.868 Base-Backbone interact. energy: -2.811 local terms energy: -850.766250 where: bonds (distance) C4'-P energy: -163.197 bonds (distance) P-C4' energy: -156.729 flat angles C4'-P-C4' energy: -190.379 flat angles P-C4'-P energy: -122.485 tors. eta vs tors. theta energy: -217.978 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: 2, replica: 8 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -2754.810992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.810992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.810992 (E_RNA) where: Base-Base interactions energy: -1903.112 where: short stacking energy: -815.665 Base-Backbone interact. energy: -4.415 local terms energy: -847.284328 where: bonds (distance) C4'-P energy: -163.227 bonds (distance) P-C4' energy: -143.323 flat angles C4'-P-C4' energy: -184.076 flat angles P-C4'-P energy: -126.908 tors. eta vs tors. theta energy: -229.750 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: 3, replica: 10 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -2600.482325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.482325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.482325 (E_RNA) where: Base-Base interactions energy: -1816.314 where: short stacking energy: -799.702 Base-Backbone interact. energy: -0.470 local terms energy: -783.697974 where: bonds (distance) C4'-P energy: -142.003 bonds (distance) P-C4' energy: -156.637 flat angles C4'-P-C4' energy: -168.683 flat angles P-C4'-P energy: -106.755 tors. eta vs tors. theta energy: -209.621 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: 7 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -2512.060797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.060797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.060797 (E_RNA) where: Base-Base interactions energy: -1731.714 where: short stacking energy: -743.367 Base-Backbone interact. energy: -1.114 local terms energy: -779.232654 where: bonds (distance) C4'-P energy: -161.382 bonds (distance) P-C4' energy: -140.661 flat angles C4'-P-C4' energy: -151.375 flat angles P-C4'-P energy: -114.614 tors. eta vs tors. theta energy: -211.201 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: 6 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -2580.839219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.839219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.839219 (E_RNA) where: Base-Base interactions energy: -1800.083 where: short stacking energy: -756.601 Base-Backbone interact. energy: 1.284 local terms energy: -782.040569 where: bonds (distance) C4'-P energy: -129.230 bonds (distance) P-C4' energy: -153.632 flat angles C4'-P-C4' energy: -161.272 flat angles P-C4'-P energy: -115.452 tors. eta vs tors. theta energy: -222.454 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: 6, replica: 5 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -2081.643520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.643520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.643520 (E_RNA) where: Base-Base interactions energy: -1396.421 where: short stacking energy: -599.931 Base-Backbone interact. energy: -1.579 local terms energy: -683.643270 where: bonds (distance) C4'-P energy: -133.758 bonds (distance) P-C4' energy: -166.587 flat angles C4'-P-C4' energy: -157.433 flat angles P-C4'-P energy: -87.682 tors. eta vs tors. theta energy: -138.184 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: 7, replica: 9 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1851.118320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.118320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.118320 (E_RNA) where: Base-Base interactions energy: -1213.928 where: short stacking energy: -552.432 Base-Backbone interact. energy: 2.624 local terms energy: -639.814468 where: bonds (distance) C4'-P energy: -143.892 bonds (distance) P-C4' energy: -141.663 flat angles C4'-P-C4' energy: -147.193 flat angles P-C4'-P energy: -78.842 tors. eta vs tors. theta energy: -128.224 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: 8, replica: 2 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1446.048129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.048129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.048129 (E_RNA) where: Base-Base interactions energy: -908.612 where: short stacking energy: -409.657 Base-Backbone interact. energy: -2.501 local terms energy: -534.935848 where: bonds (distance) C4'-P energy: -124.060 bonds (distance) P-C4' energy: -118.141 flat angles C4'-P-C4' energy: -143.919 flat angles P-C4'-P energy: -87.207 tors. eta vs tors. theta energy: -61.609 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: 9, replica: 3 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -1119.523161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.523161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.523161 (E_RNA) where: Base-Base interactions energy: -661.153 where: short stacking energy: -345.159 Base-Backbone interact. energy: -1.606 local terms energy: -456.764400 where: bonds (distance) C4'-P energy: -123.477 bonds (distance) P-C4' energy: -106.053 flat angles C4'-P-C4' energy: -123.980 flat angles P-C4'-P energy: -80.081 tors. eta vs tors. theta energy: -23.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -799.533279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.533279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.533279 (E_RNA) where: Base-Base interactions energy: -383.528 where: short stacking energy: -251.959 Base-Backbone interact. energy: 6.684 local terms energy: -422.689082 where: bonds (distance) C4'-P energy: -154.996 bonds (distance) P-C4' energy: -117.666 flat angles C4'-P-C4' energy: -95.977 flat angles P-C4'-P energy: -67.274 tors. eta vs tors. theta energy: 13.224 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: 1, replica: 8 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -2810.880473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.880473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.880473 (E_RNA) where: Base-Base interactions energy: -1931.736 where: short stacking energy: -845.837 Base-Backbone interact. energy: -5.853 local terms energy: -873.291780 where: bonds (distance) C4'-P energy: -155.300 bonds (distance) P-C4' energy: -158.523 flat angles C4'-P-C4' energy: -188.480 flat angles P-C4'-P energy: -125.494 tors. eta vs tors. theta energy: -245.494 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: 2, replica: 4 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2725.232352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.232352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.232352 (E_RNA) where: Base-Base interactions energy: -1876.626 where: short stacking energy: -790.771 Base-Backbone interact. energy: -0.246 local terms energy: -848.360879 where: bonds (distance) C4'-P energy: -156.468 bonds (distance) P-C4' energy: -179.266 flat angles C4'-P-C4' energy: -174.281 flat angles P-C4'-P energy: -115.217 tors. eta vs tors. theta energy: -223.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -2630.646571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.646571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.646571 (E_RNA) where: Base-Base interactions energy: -1812.225 where: short stacking energy: -780.543 Base-Backbone interact. energy: -0.306 local terms energy: -818.115820 where: bonds (distance) C4'-P energy: -157.413 bonds (distance) P-C4' energy: -165.905 flat angles C4'-P-C4' energy: -171.882 flat angles P-C4'-P energy: -112.224 tors. eta vs tors. theta energy: -210.692 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: 4, replica: 7 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -2497.679616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.679616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.679616 (E_RNA) where: Base-Base interactions energy: -1716.676 where: short stacking energy: -744.393 Base-Backbone interact. energy: -2.299 local terms energy: -778.704355 where: bonds (distance) C4'-P energy: -150.271 bonds (distance) P-C4' energy: -152.920 flat angles C4'-P-C4' energy: -154.620 flat angles P-C4'-P energy: -122.327 tors. eta vs tors. theta energy: -198.566 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: 6 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -2554.497109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.497109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.497109 (E_RNA) where: Base-Base interactions energy: -1775.759 where: short stacking energy: -753.276 Base-Backbone interact. energy: -4.453 local terms energy: -774.285086 where: bonds (distance) C4'-P energy: -136.432 bonds (distance) P-C4' energy: -155.043 flat angles C4'-P-C4' energy: -175.732 flat angles P-C4'-P energy: -86.866 tors. eta vs tors. theta energy: -220.212 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: 6, replica: 5 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -2112.995288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.995288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.995288 (E_RNA) where: Base-Base interactions energy: -1420.585 where: short stacking energy: -601.443 Base-Backbone interact. energy: -0.779 local terms energy: -691.631358 where: bonds (distance) C4'-P energy: -146.399 bonds (distance) P-C4' energy: -158.648 flat angles C4'-P-C4' energy: -163.776 flat angles P-C4'-P energy: -83.352 tors. eta vs tors. theta energy: -139.457 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: 7, replica: 9 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1846.813459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.813459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.813459 (E_RNA) where: Base-Base interactions energy: -1192.518 where: short stacking energy: -545.397 Base-Backbone interact. energy: -1.620 local terms energy: -652.675458 where: bonds (distance) C4'-P energy: -125.849 bonds (distance) P-C4' energy: -142.196 flat angles C4'-P-C4' energy: -159.149 flat angles P-C4'-P energy: -96.286 tors. eta vs tors. theta energy: -129.196 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: 8, replica: 2 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1474.166187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.166187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.166187 (E_RNA) where: Base-Base interactions energy: -908.221 where: short stacking energy: -426.066 Base-Backbone interact. energy: 3.183 local terms energy: -569.128195 where: bonds (distance) C4'-P energy: -136.958 bonds (distance) P-C4' energy: -138.938 flat angles C4'-P-C4' energy: -146.203 flat angles P-C4'-P energy: -82.729 tors. eta vs tors. theta energy: -64.300 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: 9, replica: 3 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -1217.838543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.838543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.838543 (E_RNA) where: Base-Base interactions energy: -739.003 where: short stacking energy: -367.297 Base-Backbone interact. energy: -0.644 local terms energy: -478.191761 where: bonds (distance) C4'-P energy: -122.858 bonds (distance) P-C4' energy: -125.803 flat angles C4'-P-C4' energy: -123.587 flat angles P-C4'-P energy: -60.589 tors. eta vs tors. theta energy: -45.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -832.576221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.576221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.576221 (E_RNA) where: Base-Base interactions energy: -438.684 where: short stacking energy: -254.996 Base-Backbone interact. energy: 0.210 local terms energy: -394.102193 where: bonds (distance) C4'-P energy: -120.713 bonds (distance) P-C4' energy: -134.360 flat angles C4'-P-C4' energy: -105.246 flat angles P-C4'-P energy: -49.314 tors. eta vs tors. theta energy: 15.531 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: 8 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -2840.019624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.019624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.019624 (E_RNA) where: Base-Base interactions energy: -1955.614 where: short stacking energy: -852.644 Base-Backbone interact. energy: -5.078 local terms energy: -879.327509 where: bonds (distance) C4'-P energy: -160.535 bonds (distance) P-C4' energy: -166.523 flat angles C4'-P-C4' energy: -184.471 flat angles P-C4'-P energy: -127.029 tors. eta vs tors. theta energy: -240.770 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: 4 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -2721.310956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.310956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.310956 (E_RNA) where: Base-Base interactions energy: -1882.016 where: short stacking energy: -798.380 Base-Backbone interact. energy: -4.799 local terms energy: -834.495193 where: bonds (distance) C4'-P energy: -151.389 bonds (distance) P-C4' energy: -143.703 flat angles C4'-P-C4' energy: -191.243 flat angles P-C4'-P energy: -124.532 tors. eta vs tors. theta energy: -223.628 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: 3, replica: 10 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -2663.159512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.159512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.159512 (E_RNA) where: Base-Base interactions energy: -1873.625 where: short stacking energy: -802.441 Base-Backbone interact. energy: -5.220 local terms energy: -784.314297 where: bonds (distance) C4'-P energy: -138.586 bonds (distance) P-C4' energy: -152.979 flat angles C4'-P-C4' energy: -163.483 flat angles P-C4'-P energy: -103.594 tors. eta vs tors. theta energy: -225.672 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: 4, replica: 6 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -2566.110960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.110960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.110960 (E_RNA) where: Base-Base interactions energy: -1759.438 where: short stacking energy: -760.923 Base-Backbone interact. energy: -2.454 local terms energy: -804.219002 where: bonds (distance) C4'-P energy: -149.726 bonds (distance) P-C4' energy: -162.520 flat angles C4'-P-C4' energy: -165.883 flat angles P-C4'-P energy: -110.317 tors. eta vs tors. theta energy: -215.774 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: 5, replica: 7 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -2407.570000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.570000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.570000 (E_RNA) where: Base-Base interactions energy: -1634.126 where: short stacking energy: -718.238 Base-Backbone interact. energy: -1.517 local terms energy: -771.927161 where: bonds (distance) C4'-P energy: -147.831 bonds (distance) P-C4' energy: -149.528 flat angles C4'-P-C4' energy: -179.019 flat angles P-C4'-P energy: -105.100 tors. eta vs tors. theta energy: -190.449 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: 6, replica: 5 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -2083.135026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.135026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.135026 (E_RNA) where: Base-Base interactions energy: -1405.306 where: short stacking energy: -581.094 Base-Backbone interact. energy: -3.213 local terms energy: -674.616658 where: bonds (distance) C4'-P energy: -141.615 bonds (distance) P-C4' energy: -156.057 flat angles C4'-P-C4' energy: -158.186 flat angles P-C4'-P energy: -77.698 tors. eta vs tors. theta energy: -141.061 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: 149 Temperature: 1.200000 Total energy: -1845.537687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.537687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.537687 (E_RNA) where: Base-Base interactions energy: -1203.986 where: short stacking energy: -569.638 Base-Backbone interact. energy: -3.232 local terms energy: -638.319050 where: bonds (distance) C4'-P energy: -130.006 bonds (distance) P-C4' energy: -152.451 flat angles C4'-P-C4' energy: -156.341 flat angles P-C4'-P energy: -87.198 tors. eta vs tors. theta energy: -112.322 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: 8, replica: 2 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1483.008494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.008494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.008494 (E_RNA) where: Base-Base interactions energy: -910.990 where: short stacking energy: -444.265 Base-Backbone interact. energy: -0.637 local terms energy: -571.381846 where: bonds (distance) C4'-P energy: -137.207 bonds (distance) P-C4' energy: -142.174 flat angles C4'-P-C4' energy: -132.310 flat angles P-C4'-P energy: -92.955 tors. eta vs tors. theta energy: -66.737 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: 3 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -1237.814424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.814424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.814424 (E_RNA) where: Base-Base interactions energy: -719.411 where: short stacking energy: -358.093 Base-Backbone interact. energy: -1.220 local terms energy: -517.183331 where: bonds (distance) C4'-P energy: -112.806 bonds (distance) P-C4' energy: -145.929 flat angles C4'-P-C4' energy: -132.698 flat angles P-C4'-P energy: -80.361 tors. eta vs tors. theta energy: -45.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -844.208478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.208478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.208478 (E_RNA) where: Base-Base interactions energy: -457.261 where: short stacking energy: -275.755 Base-Backbone interact. energy: 7.123 local terms energy: -394.070324 where: bonds (distance) C4'-P energy: -96.791 bonds (distance) P-C4' energy: -139.073 flat angles C4'-P-C4' energy: -105.062 flat angles P-C4'-P energy: -58.850 tors. eta vs tors. theta energy: 5.705 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: 150 Temperature: 0.900000 Total energy: -2811.805268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.805268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.805268 (E_RNA) where: Base-Base interactions energy: -1935.083 where: short stacking energy: -808.643 Base-Backbone interact. energy: -3.883 local terms energy: -872.839569 where: bonds (distance) C4'-P energy: -166.847 bonds (distance) P-C4' energy: -165.510 flat angles C4'-P-C4' energy: -176.836 flat angles P-C4'-P energy: -132.951 tors. eta vs tors. theta energy: -230.694 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: 2, replica: 4 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2701.164659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.164659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.164659 (E_RNA) where: Base-Base interactions energy: -1863.144 where: short stacking energy: -795.723 Base-Backbone interact. energy: -0.450 local terms energy: -837.570829 where: bonds (distance) C4'-P energy: -161.751 bonds (distance) P-C4' energy: -145.642 flat angles C4'-P-C4' energy: -177.593 flat angles P-C4'-P energy: -131.847 tors. eta vs tors. theta energy: -220.737 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: 3, replica: 10 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -2654.430484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.430484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.430484 (E_RNA) where: Base-Base interactions energy: -1864.871 where: short stacking energy: -812.185 Base-Backbone interact. energy: -3.814 local terms energy: -785.745729 where: bonds (distance) C4'-P energy: -145.432 bonds (distance) P-C4' energy: -143.998 flat angles C4'-P-C4' energy: -162.243 flat angles P-C4'-P energy: -112.073 tors. eta vs tors. theta energy: -222.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -2543.343614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.343614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.343614 (E_RNA) where: Base-Base interactions energy: -1752.452 where: short stacking energy: -742.229 Base-Backbone interact. energy: -0.752 local terms energy: -790.138921 where: bonds (distance) C4'-P energy: -136.722 bonds (distance) P-C4' energy: -151.704 flat angles C4'-P-C4' energy: -175.704 flat angles P-C4'-P energy: -109.807 tors. eta vs tors. theta energy: -216.202 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: 5, replica: 7 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -2358.885259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.885259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.885259 (E_RNA) where: Base-Base interactions energy: -1586.013 where: short stacking energy: -717.996 Base-Backbone interact. energy: -1.327 local terms energy: -771.544917 where: bonds (distance) C4'-P energy: -141.806 bonds (distance) P-C4' energy: -141.626 flat angles C4'-P-C4' energy: -167.720 flat angles P-C4'-P energy: -124.155 tors. eta vs tors. theta energy: -196.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -2114.836835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.836835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.836835 (E_RNA) where: Base-Base interactions energy: -1448.794 where: short stacking energy: -639.245 Base-Backbone interact. energy: 0.914 local terms energy: -666.956816 where: bonds (distance) C4'-P energy: -122.051 bonds (distance) P-C4' energy: -145.390 flat angles C4'-P-C4' energy: -144.951 flat angles P-C4'-P energy: -100.580 tors. eta vs tors. theta energy: -153.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1806.264583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.264583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.264583 (E_RNA) where: Base-Base interactions energy: -1227.946 where: short stacking energy: -557.787 Base-Backbone interact. energy: -2.299 local terms energy: -576.018945 where: bonds (distance) C4'-P energy: -127.494 bonds (distance) P-C4' energy: -125.123 flat angles C4'-P-C4' energy: -131.062 flat angles P-C4'-P energy: -81.847 tors. eta vs tors. theta energy: -110.492 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: 2 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1480.860359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.860359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.860359 (E_RNA) where: Base-Base interactions energy: -936.609 where: short stacking energy: -428.506 Base-Backbone interact. energy: 2.723 local terms energy: -546.974337 where: bonds (distance) C4'-P energy: -106.369 bonds (distance) P-C4' energy: -144.310 flat angles C4'-P-C4' energy: -134.308 flat angles P-C4'-P energy: -86.714 tors. eta vs tors. theta energy: -75.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -1282.626608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.626608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.626608 (E_RNA) where: Base-Base interactions energy: -761.088 where: short stacking energy: -381.677 Base-Backbone interact. energy: -4.336 local terms energy: -517.202342 where: bonds (distance) C4'-P energy: -123.000 bonds (distance) P-C4' energy: -132.254 flat angles C4'-P-C4' energy: -126.669 flat angles P-C4'-P energy: -65.825 tors. eta vs tors. theta energy: -69.455 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: 1 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -899.009320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.009320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.009320 (E_RNA) where: Base-Base interactions energy: -444.742 where: short stacking energy: -260.414 Base-Backbone interact. energy: 13.361 local terms energy: -467.628012 where: bonds (distance) C4'-P energy: -129.301 bonds (distance) P-C4' energy: -140.187 flat angles C4'-P-C4' energy: -120.312 flat angles P-C4'-P energy: -66.981 tors. eta vs tors. theta energy: -10.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -2859.111322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.111322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.111322 (E_RNA) where: Base-Base interactions energy: -1970.932 where: short stacking energy: -827.638 Base-Backbone interact. energy: -2.437 local terms energy: -885.741757 where: bonds (distance) C4'-P energy: -156.914 bonds (distance) P-C4' energy: -185.188 flat angles C4'-P-C4' energy: -179.329 flat angles P-C4'-P energy: -133.269 tors. eta vs tors. theta energy: -231.043 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: 4 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2671.521286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.521286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.521286 (E_RNA) where: Base-Base interactions energy: -1846.687 where: short stacking energy: -797.062 Base-Backbone interact. energy: -6.052 local terms energy: -818.781855 where: bonds (distance) C4'-P energy: -144.708 bonds (distance) P-C4' energy: -166.216 flat angles C4'-P-C4' energy: -176.808 flat angles P-C4'-P energy: -110.285 tors. eta vs tors. theta energy: -220.765 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: 3, replica: 10 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -2640.680190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.680190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.680190 (E_RNA) where: Base-Base interactions energy: -1835.937 where: short stacking energy: -764.674 Base-Backbone interact. energy: -5.469 local terms energy: -799.274510 where: bonds (distance) C4'-P energy: -133.358 bonds (distance) P-C4' energy: -159.763 flat angles C4'-P-C4' energy: -177.122 flat angles P-C4'-P energy: -112.521 tors. eta vs tors. theta energy: -216.510 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: 6 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -2563.973281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.973281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.973281 (E_RNA) where: Base-Base interactions energy: -1763.976 where: short stacking energy: -758.488 Base-Backbone interact. energy: -4.071 local terms energy: -795.925800 where: bonds (distance) C4'-P energy: -141.290 bonds (distance) P-C4' energy: -162.398 flat angles C4'-P-C4' energy: -169.337 flat angles P-C4'-P energy: -102.818 tors. eta vs tors. theta energy: -220.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -2399.452565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.452565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.452565 (E_RNA) where: Base-Base interactions energy: -1604.664 where: short stacking energy: -712.068 Base-Backbone interact. energy: -1.837 local terms energy: -792.951299 where: bonds (distance) C4'-P energy: -154.601 bonds (distance) P-C4' energy: -164.810 flat angles C4'-P-C4' energy: -165.598 flat angles P-C4'-P energy: -116.570 tors. eta vs tors. theta energy: -191.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -2122.902746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.902746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.902746 (E_RNA) where: Base-Base interactions energy: -1447.403 where: short stacking energy: -620.889 Base-Backbone interact. energy: -2.304 local terms energy: -673.196029 where: bonds (distance) C4'-P energy: -137.828 bonds (distance) P-C4' energy: -144.295 flat angles C4'-P-C4' energy: -154.579 flat angles P-C4'-P energy: -89.487 tors. eta vs tors. theta energy: -147.007 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: 151 Temperature: 1.200000 Total energy: -1821.069207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.069207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.069207 (E_RNA) where: Base-Base interactions energy: -1191.182 where: short stacking energy: -572.127 Base-Backbone interact. energy: 1.739 local terms energy: -631.625486 where: bonds (distance) C4'-P energy: -101.588 bonds (distance) P-C4' energy: -129.491 flat angles C4'-P-C4' energy: -174.864 flat angles P-C4'-P energy: -94.004 tors. eta vs tors. theta energy: -131.678 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: 8, replica: 2 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1561.565364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.565364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.565364 (E_RNA) where: Base-Base interactions energy: -971.233 where: short stacking energy: -454.699 Base-Backbone interact. energy: -3.655 local terms energy: -586.676868 where: bonds (distance) C4'-P energy: -140.459 bonds (distance) P-C4' energy: -137.522 flat angles C4'-P-C4' energy: -139.289 flat angles P-C4'-P energy: -73.848 tors. eta vs tors. theta energy: -95.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -1237.306353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.306353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.306353 (E_RNA) where: Base-Base interactions energy: -782.499 where: short stacking energy: -357.419 Base-Backbone interact. energy: 7.994 local terms energy: -462.800646 where: bonds (distance) C4'-P energy: -111.965 bonds (distance) P-C4' energy: -130.443 flat angles C4'-P-C4' energy: -118.877 flat angles P-C4'-P energy: -56.496 tors. eta vs tors. theta energy: -45.019 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: 10, replica: 1 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -943.418985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.418985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.418985 (E_RNA) where: Base-Base interactions energy: -501.410 where: short stacking energy: -252.624 Base-Backbone interact. energy: -0.526 local terms energy: -441.483119 where: bonds (distance) C4'-P energy: -125.751 bonds (distance) P-C4' energy: -127.994 flat angles C4'-P-C4' energy: -128.127 flat angles P-C4'-P energy: -59.033 tors. eta vs tors. theta energy: -0.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -2819.915467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.915467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.915467 (E_RNA) where: Base-Base interactions energy: -1946.108 where: short stacking energy: -818.477 Base-Backbone interact. energy: -4.263 local terms energy: -869.544543 where: bonds (distance) C4'-P energy: -173.140 bonds (distance) P-C4' energy: -164.626 flat angles C4'-P-C4' energy: -173.971 flat angles P-C4'-P energy: -118.259 tors. eta vs tors. theta energy: -239.549 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: 2, replica: 4 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -2709.010513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.010513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.010513 (E_RNA) where: Base-Base interactions energy: -1862.727 where: short stacking energy: -798.339 Base-Backbone interact. energy: -2.960 local terms energy: -843.324102 where: bonds (distance) C4'-P energy: -143.582 bonds (distance) P-C4' energy: -177.213 flat angles C4'-P-C4' energy: -183.959 flat angles P-C4'-P energy: -125.154 tors. eta vs tors. theta energy: -213.416 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: 10 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -2615.228314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.228314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.228314 (E_RNA) where: Base-Base interactions energy: -1791.030 where: short stacking energy: -770.405 Base-Backbone interact. energy: -1.788 local terms energy: -822.410186 where: bonds (distance) C4'-P energy: -156.814 bonds (distance) P-C4' energy: -155.340 flat angles C4'-P-C4' energy: -178.041 flat angles P-C4'-P energy: -116.429 tors. eta vs tors. theta energy: -215.786 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: 4, replica: 6 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -2568.629590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.629590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.629590 (E_RNA) where: Base-Base interactions energy: -1789.897 where: short stacking energy: -749.870 Base-Backbone interact. energy: -1.190 local terms energy: -777.541910 where: bonds (distance) C4'-P energy: -138.016 bonds (distance) P-C4' energy: -148.332 flat angles C4'-P-C4' energy: -172.545 flat angles P-C4'-P energy: -107.929 tors. eta vs tors. theta energy: -210.719 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: 7 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -2337.122032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.122032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.122032 (E_RNA) where: Base-Base interactions energy: -1587.619 where: short stacking energy: -702.536 Base-Backbone interact. energy: 1.097 local terms energy: -750.600587 where: bonds (distance) C4'-P energy: -133.259 bonds (distance) P-C4' energy: -138.281 flat angles C4'-P-C4' energy: -165.490 flat angles P-C4'-P energy: -121.657 tors. eta vs tors. theta energy: -191.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -2047.961993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.961993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.961993 (E_RNA) where: Base-Base interactions energy: -1443.847 where: short stacking energy: -567.418 Base-Backbone interact. energy: -1.649 local terms energy: -602.466183 where: bonds (distance) C4'-P energy: -119.546 bonds (distance) P-C4' energy: -139.628 flat angles C4'-P-C4' energy: -140.108 flat angles P-C4'-P energy: -95.159 tors. eta vs tors. theta energy: -108.025 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: 7, replica: 9 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1822.826315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.826315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.826315 (E_RNA) where: Base-Base interactions energy: -1193.740 where: short stacking energy: -529.765 Base-Backbone interact. energy: 6.366 local terms energy: -635.452438 where: bonds (distance) C4'-P energy: -147.086 bonds (distance) P-C4' energy: -140.345 flat angles C4'-P-C4' energy: -139.791 flat angles P-C4'-P energy: -92.237 tors. eta vs tors. theta energy: -115.994 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: 8, replica: 2 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -1597.623517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.623517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.623517 (E_RNA) where: Base-Base interactions energy: -1030.897 where: short stacking energy: -477.875 Base-Backbone interact. energy: -1.412 local terms energy: -565.315427 where: bonds (distance) C4'-P energy: -109.283 bonds (distance) P-C4' energy: -134.778 flat angles C4'-P-C4' energy: -141.731 flat angles P-C4'-P energy: -85.709 tors. eta vs tors. theta energy: -93.815 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: 9, replica: 3 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -1184.439186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.439186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.439186 (E_RNA) where: Base-Base interactions energy: -723.870 where: short stacking energy: -326.306 Base-Backbone interact. energy: 2.741 local terms energy: -463.310463 where: bonds (distance) C4'-P energy: -114.614 bonds (distance) P-C4' energy: -122.899 flat angles C4'-P-C4' energy: -127.614 flat angles P-C4'-P energy: -59.751 tors. eta vs tors. theta energy: -38.433 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: 10, replica: 1 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -939.725032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.725032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.725032 (E_RNA) where: Base-Base interactions energy: -489.488 where: short stacking energy: -284.964 Base-Backbone interact. energy: -0.648 local terms energy: -449.588606 where: bonds (distance) C4'-P energy: -120.525 bonds (distance) P-C4' energy: -120.669 flat angles C4'-P-C4' energy: -121.819 flat angles P-C4'-P energy: -77.191 tors. eta vs tors. theta energy: -9.385 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: 8 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -2836.729684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.729684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.729684 (E_RNA) where: Base-Base interactions energy: -1988.578 where: short stacking energy: -839.339 Base-Backbone interact. energy: -2.297 local terms energy: -845.855069 where: bonds (distance) C4'-P energy: -148.241 bonds (distance) P-C4' energy: -172.949 flat angles C4'-P-C4' energy: -187.988 flat angles P-C4'-P energy: -112.790 tors. eta vs tors. theta energy: -223.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -2700.826479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.826479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.826479 (E_RNA) where: Base-Base interactions energy: -1889.214 where: short stacking energy: -811.165 Base-Backbone interact. energy: -3.732 local terms energy: -807.880576 where: bonds (distance) C4'-P energy: -145.072 bonds (distance) P-C4' energy: -156.253 flat angles C4'-P-C4' energy: -169.235 flat angles P-C4'-P energy: -119.869 tors. eta vs tors. theta energy: -217.451 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: 4 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -2657.918141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.918141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.918141 (E_RNA) where: Base-Base interactions energy: -1839.798 where: short stacking energy: -766.697 Base-Backbone interact. energy: -1.027 local terms energy: -817.092828 where: bonds (distance) C4'-P energy: -148.486 bonds (distance) P-C4' energy: -163.357 flat angles C4'-P-C4' energy: -179.745 flat angles P-C4'-P energy: -112.706 tors. eta vs tors. theta energy: -212.799 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: 4, replica: 6 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -2591.605597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.605597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.605597 (E_RNA) where: Base-Base interactions energy: -1774.560 where: short stacking energy: -761.067 Base-Backbone interact. energy: 0.486 local terms energy: -817.531778 where: bonds (distance) C4'-P energy: -141.632 bonds (distance) P-C4' energy: -166.662 flat angles C4'-P-C4' energy: -167.775 flat angles P-C4'-P energy: -117.825 tors. eta vs tors. theta energy: -223.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -2370.975010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.975010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.975010 (E_RNA) where: Base-Base interactions energy: -1621.040 where: short stacking energy: -743.553 Base-Backbone interact. energy: 2.868 local terms energy: -752.803109 where: bonds (distance) C4'-P energy: -133.023 bonds (distance) P-C4' energy: -151.923 flat angles C4'-P-C4' energy: -172.294 flat angles P-C4'-P energy: -108.741 tors. eta vs tors. theta energy: -186.821 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: 153 Temperature: 1.150000 Total energy: -2042.749960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.749960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.749960 (E_RNA) where: Base-Base interactions energy: -1367.124 where: short stacking energy: -596.941 Base-Backbone interact. energy: -1.442 local terms energy: -674.183605 where: bonds (distance) C4'-P energy: -123.990 bonds (distance) P-C4' energy: -141.128 flat angles C4'-P-C4' energy: -170.427 flat angles P-C4'-P energy: -104.642 tors. eta vs tors. theta energy: -133.998 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: 9 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1837.489327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.489327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.489327 (E_RNA) where: Base-Base interactions energy: -1218.518 where: short stacking energy: -539.095 Base-Backbone interact. energy: 1.781 local terms energy: -620.751972 where: bonds (distance) C4'-P energy: -142.192 bonds (distance) P-C4' energy: -145.334 flat angles C4'-P-C4' energy: -129.200 flat angles P-C4'-P energy: -86.212 tors. eta vs tors. theta energy: -117.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1563.769012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.769012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.769012 (E_RNA) where: Base-Base interactions energy: -1024.394 where: short stacking energy: -488.215 Base-Backbone interact. energy: -2.046 local terms energy: -537.328855 where: bonds (distance) C4'-P energy: -132.043 bonds (distance) P-C4' energy: -122.173 flat angles C4'-P-C4' energy: -124.115 flat angles P-C4'-P energy: -77.417 tors. eta vs tors. theta energy: -81.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -1191.307582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.307582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.307582 (E_RNA) where: Base-Base interactions energy: -673.080 where: short stacking energy: -351.360 Base-Backbone interact. energy: 0.775 local terms energy: -519.002685 where: bonds (distance) C4'-P energy: -125.770 bonds (distance) P-C4' energy: -127.267 flat angles C4'-P-C4' energy: -128.457 flat angles P-C4'-P energy: -94.549 tors. eta vs tors. theta energy: -42.959 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: 1 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -882.093382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.093382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.093382 (E_RNA) where: Base-Base interactions energy: -448.365 where: short stacking energy: -242.964 Base-Backbone interact. energy: -2.838 local terms energy: -430.890443 where: bonds (distance) C4'-P energy: -115.888 bonds (distance) P-C4' energy: -122.069 flat angles C4'-P-C4' energy: -125.728 flat angles P-C4'-P energy: -71.699 tors. eta vs tors. theta energy: 4.494 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: 1, replica: 8 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -2804.709693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.709693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.709693 (E_RNA) where: Base-Base interactions energy: -1950.832 where: short stacking energy: -817.566 Base-Backbone interact. energy: -5.301 local terms energy: -848.576807 where: bonds (distance) C4'-P energy: -152.886 bonds (distance) P-C4' energy: -163.269 flat angles C4'-P-C4' energy: -192.667 flat angles P-C4'-P energy: -126.277 tors. eta vs tors. theta energy: -213.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2740.489613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.489613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.489613 (E_RNA) where: Base-Base interactions energy: -1921.160 where: short stacking energy: -803.487 Base-Backbone interact. energy: -2.737 local terms energy: -816.592701 where: bonds (distance) C4'-P energy: -145.673 bonds (distance) P-C4' energy: -159.842 flat angles C4'-P-C4' energy: -176.350 flat angles P-C4'-P energy: -119.442 tors. eta vs tors. theta energy: -215.285 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: 6 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -2673.510515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.510515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.510515 (E_RNA) where: Base-Base interactions energy: -1856.425 where: short stacking energy: -806.691 Base-Backbone interact. energy: 0.809 local terms energy: -817.895025 where: bonds (distance) C4'-P energy: -135.890 bonds (distance) P-C4' energy: -153.158 flat angles C4'-P-C4' energy: -174.659 flat angles P-C4'-P energy: -119.958 tors. eta vs tors. theta energy: -234.229 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: 4, replica: 4 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -2522.982316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.982316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.982316 (E_RNA) where: Base-Base interactions energy: -1752.668 where: short stacking energy: -739.949 Base-Backbone interact. energy: 3.452 local terms energy: -773.765932 where: bonds (distance) C4'-P energy: -147.282 bonds (distance) P-C4' energy: -148.349 flat angles C4'-P-C4' energy: -172.709 flat angles P-C4'-P energy: -113.064 tors. eta vs tors. theta energy: -192.361 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: 7 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -2362.566336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.566336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.566336 (E_RNA) where: Base-Base interactions energy: -1618.212 where: short stacking energy: -736.427 Base-Backbone interact. energy: 1.444 local terms energy: -745.798148 where: bonds (distance) C4'-P energy: -128.117 bonds (distance) P-C4' energy: -147.033 flat angles C4'-P-C4' energy: -163.161 flat angles P-C4'-P energy: -92.505 tors. eta vs tors. theta energy: -214.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -2086.750804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.750804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.750804 (E_RNA) where: Base-Base interactions energy: -1430.930 where: short stacking energy: -597.864 Base-Backbone interact. energy: -2.007 local terms energy: -653.814190 where: bonds (distance) C4'-P energy: -130.852 bonds (distance) P-C4' energy: -135.581 flat angles C4'-P-C4' energy: -142.169 flat angles P-C4'-P energy: -104.548 tors. eta vs tors. theta energy: -140.664 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: 7, replica: 9 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1914.353465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.353465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.353465 (E_RNA) where: Base-Base interactions energy: -1276.995 where: short stacking energy: -570.981 Base-Backbone interact. energy: -2.708 local terms energy: -634.650272 where: bonds (distance) C4'-P energy: -116.615 bonds (distance) P-C4' energy: -136.208 flat angles C4'-P-C4' energy: -145.161 flat angles P-C4'-P energy: -99.509 tors. eta vs tors. theta energy: -137.159 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: 2 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1571.962051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.962051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.962051 (E_RNA) where: Base-Base interactions energy: -1006.369 where: short stacking energy: -428.019 Base-Backbone interact. energy: -2.468 local terms energy: -563.124940 where: bonds (distance) C4'-P energy: -137.074 bonds (distance) P-C4' energy: -137.099 flat angles C4'-P-C4' energy: -141.679 flat angles P-C4'-P energy: -85.126 tors. eta vs tors. theta energy: -62.146 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: 9, replica: 3 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -1207.851455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.851455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.851455 (E_RNA) where: Base-Base interactions energy: -699.982 where: short stacking energy: -324.004 Base-Backbone interact. energy: -4.197 local terms energy: -503.672736 where: bonds (distance) C4'-P energy: -114.202 bonds (distance) P-C4' energy: -155.834 flat angles C4'-P-C4' energy: -120.239 flat angles P-C4'-P energy: -91.181 tors. eta vs tors. theta energy: -22.217 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: 1 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -933.828265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.828265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.828265 (E_RNA) where: Base-Base interactions energy: -482.300 where: short stacking energy: -275.475 Base-Backbone interact. energy: -0.878 local terms energy: -450.650464 where: bonds (distance) C4'-P energy: -128.242 bonds (distance) P-C4' energy: -118.445 flat angles C4'-P-C4' energy: -104.684 flat angles P-C4'-P energy: -89.073 tors. eta vs tors. theta energy: -10.207 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: 8 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -2799.725117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.725117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.725117 (E_RNA) where: Base-Base interactions energy: -1949.404 where: short stacking energy: -860.450 Base-Backbone interact. energy: -3.077 local terms energy: -847.244100 where: bonds (distance) C4'-P energy: -146.775 bonds (distance) P-C4' energy: -151.909 flat angles C4'-P-C4' energy: -177.810 flat angles P-C4'-P energy: -120.039 tors. eta vs tors. theta energy: -250.711 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: 2, replica: 10 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -2757.140711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.140711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.140711 (E_RNA) where: Base-Base interactions energy: -1949.693 where: short stacking energy: -828.725 Base-Backbone interact. energy: -1.756 local terms energy: -805.691621 where: bonds (distance) C4'-P energy: -163.609 bonds (distance) P-C4' energy: -155.050 flat angles C4'-P-C4' energy: -171.808 flat angles P-C4'-P energy: -109.328 tors. eta vs tors. theta energy: -205.897 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: 6 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -2714.045786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.045786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.045786 (E_RNA) where: Base-Base interactions energy: -1884.791 where: short stacking energy: -785.382 Base-Backbone interact. energy: -2.275 local terms energy: -826.979710 where: bonds (distance) C4'-P energy: -145.506 bonds (distance) P-C4' energy: -157.623 flat angles C4'-P-C4' energy: -168.615 flat angles P-C4'-P energy: -125.964 tors. eta vs tors. theta energy: -229.270 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: 155 Temperature: 1.050000 Total energy: -2498.274585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.274585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.274585 (E_RNA) where: Base-Base interactions energy: -1733.685 where: short stacking energy: -700.813 Base-Backbone interact. energy: -4.301 local terms energy: -760.289085 where: bonds (distance) C4'-P energy: -129.845 bonds (distance) P-C4' energy: -153.785 flat angles C4'-P-C4' energy: -163.952 flat angles P-C4'-P energy: -115.193 tors. eta vs tors. theta energy: -197.515 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: 7 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -2324.848623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.848623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.848623 (E_RNA) where: Base-Base interactions energy: -1610.036 where: short stacking energy: -706.559 Base-Backbone interact. energy: -0.765 local terms energy: -714.048282 where: bonds (distance) C4'-P energy: -139.863 bonds (distance) P-C4' energy: -127.810 flat angles C4'-P-C4' energy: -168.014 flat angles P-C4'-P energy: -107.539 tors. eta vs tors. theta energy: -170.823 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: 6, replica: 5 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -2088.273297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.273297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.273297 (E_RNA) where: Base-Base interactions energy: -1407.696 where: short stacking energy: -608.731 Base-Backbone interact. energy: -1.838 local terms energy: -678.738995 where: bonds (distance) C4'-P energy: -124.241 bonds (distance) P-C4' energy: -145.904 flat angles C4'-P-C4' energy: -151.112 flat angles P-C4'-P energy: -96.277 tors. eta vs tors. theta energy: -161.205 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: 155 Temperature: 1.200000 Total energy: -1833.000362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.000362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.000362 (E_RNA) where: Base-Base interactions energy: -1230.532 where: short stacking energy: -548.412 Base-Backbone interact. energy: 1.759 local terms energy: -604.227327 where: bonds (distance) C4'-P energy: -144.987 bonds (distance) P-C4' energy: -134.401 flat angles C4'-P-C4' energy: -131.646 flat angles P-C4'-P energy: -79.635 tors. eta vs tors. theta energy: -113.557 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: 2 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -1550.680403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.680403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.680403 (E_RNA) where: Base-Base interactions energy: -990.747 where: short stacking energy: -453.451 Base-Backbone interact. energy: -2.694 local terms energy: -557.239148 where: bonds (distance) C4'-P energy: -128.720 bonds (distance) P-C4' energy: -115.898 flat angles C4'-P-C4' energy: -145.520 flat angles P-C4'-P energy: -76.552 tors. eta vs tors. theta energy: -90.550 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: 3 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -1203.373269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.373269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.373269 (E_RNA) where: Base-Base interactions energy: -702.240 where: short stacking energy: -322.446 Base-Backbone interact. energy: 3.126 local terms energy: -504.259461 where: bonds (distance) C4'-P energy: -132.842 bonds (distance) P-C4' energy: -135.962 flat angles C4'-P-C4' energy: -131.632 flat angles P-C4'-P energy: -72.383 tors. eta vs tors. theta energy: -31.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -822.516123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.516123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.516123 (E_RNA) where: Base-Base interactions energy: -400.527 where: short stacking energy: -244.519 Base-Backbone interact. energy: 0.651 local terms energy: -422.640279 where: bonds (distance) C4'-P energy: -146.071 bonds (distance) P-C4' energy: -132.126 flat angles C4'-P-C4' energy: -107.648 flat angles P-C4'-P energy: -40.247 tors. eta vs tors. theta energy: 3.451 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: 1, replica: 8 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -2812.868542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.868542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.868542 (E_RNA) where: Base-Base interactions energy: -1935.855 where: short stacking energy: -829.955 Base-Backbone interact. energy: -6.970 local terms energy: -870.043101 where: bonds (distance) C4'-P energy: -148.203 bonds (distance) P-C4' energy: -177.565 flat angles C4'-P-C4' energy: -190.232 flat angles P-C4'-P energy: -112.080 tors. eta vs tors. theta energy: -241.962 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: 10 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -2691.265423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.265423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.265423 (E_RNA) where: Base-Base interactions energy: -1863.472 where: short stacking energy: -794.895 Base-Backbone interact. energy: -1.537 local terms energy: -826.255850 where: bonds (distance) C4'-P energy: -150.003 bonds (distance) P-C4' energy: -154.349 flat angles C4'-P-C4' energy: -187.627 flat angles P-C4'-P energy: -120.501 tors. eta vs tors. theta energy: -213.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -2699.618604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.618604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.618604 (E_RNA) where: Base-Base interactions energy: -1872.873 where: short stacking energy: -788.869 Base-Backbone interact. energy: -3.499 local terms energy: -823.246213 where: bonds (distance) C4'-P energy: -153.059 bonds (distance) P-C4' energy: -153.092 flat angles C4'-P-C4' energy: -174.872 flat angles P-C4'-P energy: -111.573 tors. eta vs tors. theta energy: -230.649 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: 4 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -2524.086093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.086093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.086093 (E_RNA) where: Base-Base interactions energy: -1732.267 where: short stacking energy: -722.312 Base-Backbone interact. energy: -3.247 local terms energy: -788.572010 where: bonds (distance) C4'-P energy: -152.177 bonds (distance) P-C4' energy: -155.420 flat angles C4'-P-C4' energy: -178.971 flat angles P-C4'-P energy: -100.727 tors. eta vs tors. theta energy: -201.277 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: 5, replica: 7 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -2322.381215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.381215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.381215 (E_RNA) where: Base-Base interactions energy: -1574.436 where: short stacking energy: -704.399 Base-Backbone interact. energy: -4.499 local terms energy: -743.446014 where: bonds (distance) C4'-P energy: -119.770 bonds (distance) P-C4' energy: -148.269 flat angles C4'-P-C4' energy: -178.465 flat angles P-C4'-P energy: -98.113 tors. eta vs tors. theta energy: -198.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -2142.666726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.666726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.666726 (E_RNA) where: Base-Base interactions energy: -1441.313 where: short stacking energy: -644.697 Base-Backbone interact. energy: -2.785 local terms energy: -698.569203 where: bonds (distance) C4'-P energy: -159.541 bonds (distance) P-C4' energy: -134.565 flat angles C4'-P-C4' energy: -141.175 flat angles P-C4'-P energy: -105.920 tors. eta vs tors. theta energy: -157.368 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: 7, replica: 9 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1824.007178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.007178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.007178 (E_RNA) where: Base-Base interactions energy: -1213.857 where: short stacking energy: -546.679 Base-Backbone interact. energy: 3.272 local terms energy: -613.422120 where: bonds (distance) C4'-P energy: -128.549 bonds (distance) P-C4' energy: -126.576 flat angles C4'-P-C4' energy: -133.332 flat angles P-C4'-P energy: -109.396 tors. eta vs tors. theta energy: -115.570 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: 2 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1524.638966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.638966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.638966 (E_RNA) where: Base-Base interactions energy: -969.776 where: short stacking energy: -456.500 Base-Backbone interact. energy: 5.677 local terms energy: -560.539679 where: bonds (distance) C4'-P energy: -138.989 bonds (distance) P-C4' energy: -136.807 flat angles C4'-P-C4' energy: -130.038 flat angles P-C4'-P energy: -77.366 tors. eta vs tors. theta energy: -77.340 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: 9, replica: 3 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -1208.395486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.395486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.395486 (E_RNA) where: Base-Base interactions energy: -728.723 where: short stacking energy: -340.441 Base-Backbone interact. energy: -3.503 local terms energy: -476.169655 where: bonds (distance) C4'-P energy: -115.416 bonds (distance) P-C4' energy: -141.471 flat angles C4'-P-C4' energy: -122.710 flat angles P-C4'-P energy: -71.554 tors. eta vs tors. theta energy: -25.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -907.762873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.762873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.762873 (E_RNA) where: Base-Base interactions energy: -468.731 where: short stacking energy: -283.297 Base-Backbone interact. energy: 0.441 local terms energy: -439.472315 where: bonds (distance) C4'-P energy: -123.378 bonds (distance) P-C4' energy: -139.975 flat angles C4'-P-C4' energy: -120.627 flat angles P-C4'-P energy: -62.608 tors. eta vs tors. theta energy: 7.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -2822.145423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.145423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.145423 (E_RNA) where: Base-Base interactions energy: -1942.051 where: short stacking energy: -817.198 Base-Backbone interact. energy: -1.444 local terms energy: -878.650606 where: bonds (distance) C4'-P energy: -166.930 bonds (distance) P-C4' energy: -169.876 flat angles C4'-P-C4' energy: -194.601 flat angles P-C4'-P energy: -113.999 tors. eta vs tors. theta energy: -233.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2743.436272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.436272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.436272 (E_RNA) where: Base-Base interactions energy: -1919.634 where: short stacking energy: -812.322 Base-Backbone interact. energy: -1.252 local terms energy: -822.550386 where: bonds (distance) C4'-P energy: -158.893 bonds (distance) P-C4' energy: -156.229 flat angles C4'-P-C4' energy: -167.249 flat angles P-C4'-P energy: -114.011 tors. eta vs tors. theta energy: -226.169 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: 6 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -2718.228152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.228152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.228152 (E_RNA) where: Base-Base interactions energy: -1893.700 where: short stacking energy: -803.189 Base-Backbone interact. energy: 0.004 local terms energy: -824.532879 where: bonds (distance) C4'-P energy: -139.999 bonds (distance) P-C4' energy: -154.454 flat angles C4'-P-C4' energy: -180.363 flat angles P-C4'-P energy: -124.514 tors. eta vs tors. theta energy: -225.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -2521.421862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.421862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.421862 (E_RNA) where: Base-Base interactions energy: -1760.939 where: short stacking energy: -737.499 Base-Backbone interact. energy: 3.367 local terms energy: -763.850519 where: bonds (distance) C4'-P energy: -145.024 bonds (distance) P-C4' energy: -151.938 flat angles C4'-P-C4' energy: -157.407 flat angles P-C4'-P energy: -114.319 tors. eta vs tors. theta energy: -195.163 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: 5, replica: 7 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -2395.961096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.961096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.961096 (E_RNA) where: Base-Base interactions energy: -1642.140 where: short stacking energy: -729.282 Base-Backbone interact. energy: 2.041 local terms energy: -755.861503 where: bonds (distance) C4'-P energy: -121.789 bonds (distance) P-C4' energy: -156.214 flat angles C4'-P-C4' energy: -159.224 flat angles P-C4'-P energy: -110.263 tors. eta vs tors. theta energy: -208.371 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: 6, replica: 5 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -2129.983807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.983807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.983807 (E_RNA) where: Base-Base interactions energy: -1423.905 where: short stacking energy: -615.413 Base-Backbone interact. energy: 0.812 local terms energy: -706.890632 where: bonds (distance) C4'-P energy: -158.323 bonds (distance) P-C4' energy: -140.104 flat angles C4'-P-C4' energy: -153.361 flat angles P-C4'-P energy: -95.008 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: 7, replica: 9 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1900.549154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.549154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.549154 (E_RNA) where: Base-Base interactions energy: -1284.388 where: short stacking energy: -584.955 Base-Backbone interact. energy: -0.240 local terms energy: -615.920801 where: bonds (distance) C4'-P energy: -118.730 bonds (distance) P-C4' energy: -138.170 flat angles C4'-P-C4' energy: -139.400 flat angles P-C4'-P energy: -92.681 tors. eta vs tors. theta energy: -126.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1693.595916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.595916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.595916 (E_RNA) where: Base-Base interactions energy: -1105.376 where: short stacking energy: -483.903 Base-Backbone interact. energy: -0.340 local terms energy: -587.879868 where: bonds (distance) C4'-P energy: -143.574 bonds (distance) P-C4' energy: -111.985 flat angles C4'-P-C4' energy: -146.420 flat angles P-C4'-P energy: -90.153 tors. eta vs tors. theta energy: -95.747 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: 3 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -1198.665937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.665937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.665937 (E_RNA) where: Base-Base interactions energy: -718.397 where: short stacking energy: -380.093 Base-Backbone interact. energy: -6.804 local terms energy: -473.465648 where: bonds (distance) C4'-P energy: -122.805 bonds (distance) P-C4' energy: -135.431 flat angles C4'-P-C4' energy: -113.479 flat angles P-C4'-P energy: -51.939 tors. eta vs tors. theta energy: -49.811 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: 10, replica: 1 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -845.085174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.085174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.085174 (E_RNA) where: Base-Base interactions energy: -404.212 where: short stacking energy: -236.481 Base-Backbone interact. energy: -0.094 local terms energy: -440.779086 where: bonds (distance) C4'-P energy: -135.238 bonds (distance) P-C4' energy: -134.183 flat angles C4'-P-C4' energy: -115.865 flat angles P-C4'-P energy: -68.484 tors. eta vs tors. theta energy: 12.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -2831.624125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.624125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.624125 (E_RNA) where: Base-Base interactions energy: -1980.294 where: short stacking energy: -844.481 Base-Backbone interact. energy: -3.758 local terms energy: -847.572081 where: bonds (distance) C4'-P energy: -155.481 bonds (distance) P-C4' energy: -155.513 flat angles C4'-P-C4' energy: -176.679 flat angles P-C4'-P energy: -117.312 tors. eta vs tors. theta energy: -242.587 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: 2, replica: 10 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2753.188971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.188971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.188971 (E_RNA) where: Base-Base interactions energy: -1930.591 where: short stacking energy: -810.424 Base-Backbone interact. energy: -0.502 local terms energy: -822.095145 where: bonds (distance) C4'-P energy: -150.767 bonds (distance) P-C4' energy: -158.071 flat angles C4'-P-C4' energy: -173.301 flat angles P-C4'-P energy: -127.843 tors. eta vs tors. theta energy: -212.114 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: 3, replica: 6 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -2740.541443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.541443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.541443 (E_RNA) where: Base-Base interactions energy: -1914.077 where: short stacking energy: -804.620 Base-Backbone interact. energy: -3.256 local terms energy: -823.208498 where: bonds (distance) C4'-P energy: -137.301 bonds (distance) P-C4' energy: -166.424 flat angles C4'-P-C4' energy: -169.395 flat angles P-C4'-P energy: -112.105 tors. eta vs tors. theta energy: -237.983 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: 4, replica: 4 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -2521.613121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.613121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.613121 (E_RNA) where: Base-Base interactions energy: -1767.510 where: short stacking energy: -704.703 Base-Backbone interact. energy: -0.248 local terms energy: -753.855139 where: bonds (distance) C4'-P energy: -143.280 bonds (distance) P-C4' energy: -151.179 flat angles C4'-P-C4' energy: -162.777 flat angles P-C4'-P energy: -120.767 tors. eta vs tors. theta energy: -175.852 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: 5, replica: 7 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -2341.403840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.403840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.403840 (E_RNA) where: Base-Base interactions energy: -1579.390 where: short stacking energy: -697.621 Base-Backbone interact. energy: 8.183 local terms energy: -770.196748 where: bonds (distance) C4'-P energy: -141.795 bonds (distance) P-C4' energy: -154.569 flat angles C4'-P-C4' energy: -171.546 flat angles P-C4'-P energy: -103.632 tors. eta vs tors. theta energy: -198.654 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: 158 Temperature: 1.150000 Total energy: -2082.304123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.304123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.304123 (E_RNA) where: Base-Base interactions energy: -1391.602 where: short stacking energy: -625.419 Base-Backbone interact. energy: -3.160 local terms energy: -687.542671 where: bonds (distance) C4'-P energy: -158.566 bonds (distance) P-C4' energy: -137.681 flat angles C4'-P-C4' energy: -153.286 flat angles P-C4'-P energy: -81.050 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: 7, replica: 9 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1915.636248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.636248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.636248 (E_RNA) where: Base-Base interactions energy: -1283.766 where: short stacking energy: -547.503 Base-Backbone interact. energy: -1.715 local terms energy: -630.154703 where: bonds (distance) C4'-P energy: -129.937 bonds (distance) P-C4' energy: -125.638 flat angles C4'-P-C4' energy: -159.237 flat angles P-C4'-P energy: -92.972 tors. eta vs tors. theta energy: -122.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1689.866886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.866886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.866886 (E_RNA) where: Base-Base interactions energy: -1077.428 where: short stacking energy: -475.116 Base-Backbone interact. energy: 0.898 local terms energy: -613.336274 where: bonds (distance) C4'-P energy: -134.743 bonds (distance) P-C4' energy: -152.941 flat angles C4'-P-C4' energy: -132.825 flat angles P-C4'-P energy: -99.767 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: 3 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -1166.349613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.349613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.349613 (E_RNA) where: Base-Base interactions energy: -645.961 where: short stacking energy: -313.678 Base-Backbone interact. energy: 0.891 local terms energy: -521.280378 where: bonds (distance) C4'-P energy: -131.820 bonds (distance) P-C4' energy: -151.450 flat angles C4'-P-C4' energy: -133.976 flat angles P-C4'-P energy: -72.408 tors. eta vs tors. theta energy: -31.628 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: 10, replica: 1 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -855.301260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.301260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.301260 (E_RNA) where: Base-Base interactions energy: -394.181 where: short stacking energy: -236.725 Base-Backbone interact. energy: -2.187 local terms energy: -458.933331 where: bonds (distance) C4'-P energy: -122.530 bonds (distance) P-C4' energy: -150.497 flat angles C4'-P-C4' energy: -113.515 flat angles P-C4'-P energy: -51.595 tors. eta vs tors. theta energy: -20.797 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: 1, replica: 8 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -2797.177089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.177089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.177089 (E_RNA) where: Base-Base interactions energy: -1930.813 where: short stacking energy: -824.245 Base-Backbone interact. energy: -3.456 local terms energy: -862.908013 where: bonds (distance) C4'-P energy: -152.651 bonds (distance) P-C4' energy: -163.666 flat angles C4'-P-C4' energy: -178.360 flat angles P-C4'-P energy: -132.896 tors. eta vs tors. theta energy: -235.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -2805.871238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.871238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.871238 (E_RNA) where: Base-Base interactions energy: -1952.416 where: short stacking energy: -845.601 Base-Backbone interact. energy: -1.258 local terms energy: -852.198215 where: bonds (distance) C4'-P energy: -157.486 bonds (distance) P-C4' energy: -152.548 flat angles C4'-P-C4' energy: -175.742 flat angles P-C4'-P energy: -124.912 tors. eta vs tors. theta energy: -241.511 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: 3, replica: 10 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -2701.762656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.762656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.762656 (E_RNA) where: Base-Base interactions energy: -1887.125 where: short stacking energy: -795.705 Base-Backbone interact. energy: -2.337 local terms energy: -812.300913 where: bonds (distance) C4'-P energy: -142.073 bonds (distance) P-C4' energy: -162.013 flat angles C4'-P-C4' energy: -180.532 flat angles P-C4'-P energy: -100.093 tors. eta vs tors. theta energy: -227.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -2567.936699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.936699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.936699 (E_RNA) where: Base-Base interactions energy: -1804.664 where: short stacking energy: -749.449 Base-Backbone interact. energy: -3.936 local terms energy: -759.336341 where: bonds (distance) C4'-P energy: -145.237 bonds (distance) P-C4' energy: -148.134 flat angles C4'-P-C4' energy: -166.965 flat angles P-C4'-P energy: -107.473 tors. eta vs tors. theta energy: -191.528 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: 5, replica: 7 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -2300.910740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.910740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.910740 (E_RNA) where: Base-Base interactions energy: -1546.151 where: short stacking energy: -674.048 Base-Backbone interact. energy: -1.672 local terms energy: -753.088116 where: bonds (distance) C4'-P energy: -142.038 bonds (distance) P-C4' energy: -155.876 flat angles C4'-P-C4' energy: -151.656 flat angles P-C4'-P energy: -115.979 tors. eta vs tors. theta energy: -187.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -2177.802809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.802809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.802809 (E_RNA) where: Base-Base interactions energy: -1465.019 where: short stacking energy: -641.941 Base-Backbone interact. energy: 0.362 local terms energy: -713.145583 where: bonds (distance) C4'-P energy: -142.485 bonds (distance) P-C4' energy: -144.469 flat angles C4'-P-C4' energy: -167.025 flat angles P-C4'-P energy: -111.411 tors. eta vs tors. theta energy: -147.755 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: 9 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1977.561767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.561767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.561767 (E_RNA) where: Base-Base interactions energy: -1335.979 where: short stacking energy: -593.248 Base-Backbone interact. energy: 0.062 local terms energy: -641.645137 where: bonds (distance) C4'-P energy: -123.212 bonds (distance) P-C4' energy: -116.536 flat angles C4'-P-C4' energy: -156.913 flat angles P-C4'-P energy: -106.855 tors. eta vs tors. theta energy: -138.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1625.589846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.589846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.589846 (E_RNA) where: Base-Base interactions energy: -1013.731 where: short stacking energy: -460.143 Base-Backbone interact. energy: 1.533 local terms energy: -613.391145 where: bonds (distance) C4'-P energy: -136.878 bonds (distance) P-C4' energy: -139.025 flat angles C4'-P-C4' energy: -129.876 flat angles P-C4'-P energy: -111.203 tors. eta vs tors. theta energy: -96.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -1207.008441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.008441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.008441 (E_RNA) where: Base-Base interactions energy: -716.925 where: short stacking energy: -370.938 Base-Backbone interact. energy: -3.858 local terms energy: -486.225157 where: bonds (distance) C4'-P energy: -130.525 bonds (distance) P-C4' energy: -125.882 flat angles C4'-P-C4' energy: -121.646 flat angles P-C4'-P energy: -85.418 tors. eta vs tors. theta energy: -22.754 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: 10, replica: 1 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -747.331783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.331783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.331783 (E_RNA) where: Base-Base interactions energy: -362.936 where: short stacking energy: -206.926 Base-Backbone interact. energy: -4.061 local terms energy: -380.335402 where: bonds (distance) C4'-P energy: -134.884 bonds (distance) P-C4' energy: -120.261 flat angles C4'-P-C4' energy: -78.269 flat angles P-C4'-P energy: -69.503 tors. eta vs tors. theta energy: 22.581 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: 1, replica: 8 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -2826.924609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.924609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.924609 (E_RNA) where: Base-Base interactions energy: -1959.536 where: short stacking energy: -831.024 Base-Backbone interact. energy: -4.764 local terms energy: -862.624594 where: bonds (distance) C4'-P energy: -155.833 bonds (distance) P-C4' energy: -161.132 flat angles C4'-P-C4' energy: -188.926 flat angles P-C4'-P energy: -114.415 tors. eta vs tors. theta energy: -242.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -2800.002894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.002894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.002894 (E_RNA) where: Base-Base interactions energy: -1914.585 where: short stacking energy: -818.394 Base-Backbone interact. energy: -3.325 local terms energy: -882.093143 where: bonds (distance) C4'-P energy: -173.583 bonds (distance) P-C4' energy: -161.625 flat angles C4'-P-C4' energy: -181.133 flat angles P-C4'-P energy: -124.867 tors. eta vs tors. theta energy: -240.886 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: 3, replica: 10 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -2642.693039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.693039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.693039 (E_RNA) where: Base-Base interactions energy: -1826.357 where: short stacking energy: -788.892 Base-Backbone interact. energy: 3.021 local terms energy: -819.357555 where: bonds (distance) C4'-P energy: -157.941 bonds (distance) P-C4' energy: -154.850 flat angles C4'-P-C4' energy: -179.654 flat angles P-C4'-P energy: -114.860 tors. eta vs tors. theta energy: -212.053 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: 4 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -2543.171477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.171477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.171477 (E_RNA) where: Base-Base interactions energy: -1773.986 where: short stacking energy: -762.203 Base-Backbone interact. energy: 0.235 local terms energy: -769.419796 where: bonds (distance) C4'-P energy: -144.762 bonds (distance) P-C4' energy: -143.077 flat angles C4'-P-C4' energy: -172.975 flat angles P-C4'-P energy: -104.508 tors. eta vs tors. theta energy: -204.098 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: 5, replica: 7 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -2276.204403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.204403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.204403 (E_RNA) where: Base-Base interactions energy: -1553.495 where: short stacking energy: -679.637 Base-Backbone interact. energy: -3.109 local terms energy: -719.600418 where: bonds (distance) C4'-P energy: -146.741 bonds (distance) P-C4' energy: -157.679 flat angles C4'-P-C4' energy: -166.448 flat angles P-C4'-P energy: -78.853 tors. eta vs tors. theta energy: -169.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -2117.851465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.851465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.851465 (E_RNA) where: Base-Base interactions energy: -1438.935 where: short stacking energy: -609.481 Base-Backbone interact. energy: 2.086 local terms energy: -681.002766 where: bonds (distance) C4'-P energy: -135.797 bonds (distance) P-C4' energy: -149.296 flat angles C4'-P-C4' energy: -148.475 flat angles P-C4'-P energy: -92.216 tors. eta vs tors. theta energy: -155.219 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: 7, replica: 9 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1953.495086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.495086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.495086 (E_RNA) where: Base-Base interactions energy: -1278.333 where: short stacking energy: -579.614 Base-Backbone interact. energy: -1.866 local terms energy: -673.296123 where: bonds (distance) C4'-P energy: -163.446 bonds (distance) P-C4' energy: -144.813 flat angles C4'-P-C4' energy: -133.633 flat angles P-C4'-P energy: -102.001 tors. eta vs tors. theta energy: -129.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1664.786116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.786116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.786116 (E_RNA) where: Base-Base interactions energy: -1056.810 where: short stacking energy: -470.511 Base-Backbone interact. energy: 0.405 local terms energy: -608.381935 where: bonds (distance) C4'-P energy: -148.186 bonds (distance) P-C4' energy: -135.145 flat angles C4'-P-C4' energy: -143.701 flat angles P-C4'-P energy: -101.094 tors. eta vs tors. theta energy: -80.255 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: 9, replica: 3 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -1042.656418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.656418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.656418 (E_RNA) where: Base-Base interactions energy: -580.581 where: short stacking energy: -319.210 Base-Backbone interact. energy: -2.060 local terms energy: -460.015946 where: bonds (distance) C4'-P energy: -140.875 bonds (distance) P-C4' energy: -128.335 flat angles C4'-P-C4' energy: -123.960 flat angles P-C4'-P energy: -44.866 tors. eta vs tors. theta energy: -21.981 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: 1 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -758.851344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.851344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.851344 (E_RNA) where: Base-Base interactions energy: -339.121 where: short stacking energy: -210.547 Base-Backbone interact. energy: 3.390 local terms energy: -423.120459 where: bonds (distance) C4'-P energy: -107.750 bonds (distance) P-C4' energy: -143.366 flat angles C4'-P-C4' energy: -118.339 flat angles P-C4'-P energy: -60.168 tors. eta vs tors. theta energy: 6.502 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: 1, replica: 8 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -2848.292285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.292285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.292285 (E_RNA) where: Base-Base interactions energy: -1979.974 where: short stacking energy: -841.420 Base-Backbone interact. energy: -1.399 local terms energy: -866.918828 where: bonds (distance) C4'-P energy: -167.934 bonds (distance) P-C4' energy: -161.615 flat angles C4'-P-C4' energy: -188.368 flat angles P-C4'-P energy: -119.377 tors. eta vs tors. theta energy: -229.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -2761.113702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.113702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.113702 (E_RNA) where: Base-Base interactions energy: -1891.205 where: short stacking energy: -824.599 Base-Backbone interact. energy: -3.599 local terms energy: -866.309199 where: bonds (distance) C4'-P energy: -167.495 bonds (distance) P-C4' energy: -158.749 flat angles C4'-P-C4' energy: -182.821 flat angles P-C4'-P energy: -113.749 tors. eta vs tors. theta energy: -243.496 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: 3, replica: 10 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -2644.919003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.919003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.919003 (E_RNA) where: Base-Base interactions energy: -1840.565 where: short stacking energy: -779.006 Base-Backbone interact. energy: -3.972 local terms energy: -800.382705 where: bonds (distance) C4'-P energy: -144.425 bonds (distance) P-C4' energy: -152.329 flat angles C4'-P-C4' energy: -175.820 flat angles P-C4'-P energy: -114.410 tors. eta vs tors. theta energy: -213.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -2514.821515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.821515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.821515 (E_RNA) where: Base-Base interactions energy: -1774.600 where: short stacking energy: -737.518 Base-Backbone interact. energy: 0.467 local terms energy: -740.688271 where: bonds (distance) C4'-P energy: -129.186 bonds (distance) P-C4' energy: -156.730 flat angles C4'-P-C4' energy: -166.461 flat angles P-C4'-P energy: -99.786 tors. eta vs tors. theta energy: -188.525 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: 5, replica: 7 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -2308.965676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.965676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.965676 (E_RNA) where: Base-Base interactions energy: -1561.371 where: short stacking energy: -689.520 Base-Backbone interact. energy: -3.312 local terms energy: -744.282155 where: bonds (distance) C4'-P energy: -147.620 bonds (distance) P-C4' energy: -146.515 flat angles C4'-P-C4' energy: -172.012 flat angles P-C4'-P energy: -101.542 tors. eta vs tors. theta energy: -176.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -2128.478891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.478891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.478891 (E_RNA) where: Base-Base interactions energy: -1433.835 where: short stacking energy: -630.230 Base-Backbone interact. energy: -4.706 local terms energy: -689.937779 where: bonds (distance) C4'-P energy: -138.956 bonds (distance) P-C4' energy: -145.981 flat angles C4'-P-C4' energy: -158.739 flat angles P-C4'-P energy: -106.455 tors. eta vs tors. theta energy: -139.806 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: 7, replica: 9 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1933.861279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.861279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.861279 (E_RNA) where: Base-Base interactions energy: -1313.450 where: short stacking energy: -581.725 Base-Backbone interact. energy: 1.464 local terms energy: -621.874978 where: bonds (distance) C4'-P energy: -134.008 bonds (distance) P-C4' energy: -129.700 flat angles C4'-P-C4' energy: -142.399 flat angles P-C4'-P energy: -92.975 tors. eta vs tors. theta energy: -122.792 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: 2 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1607.353493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.353493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.353493 (E_RNA) where: Base-Base interactions energy: -1016.104 where: short stacking energy: -464.287 Base-Backbone interact. energy: -1.582 local terms energy: -589.667267 where: bonds (distance) C4'-P energy: -125.398 bonds (distance) P-C4' energy: -124.931 flat angles C4'-P-C4' energy: -148.661 flat angles P-C4'-P energy: -92.481 tors. eta vs tors. theta energy: -98.196 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: 3 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -1099.900267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.900267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.900267 (E_RNA) where: Base-Base interactions energy: -653.028 where: short stacking energy: -330.191 Base-Backbone interact. energy: 1.912 local terms energy: -448.785054 where: bonds (distance) C4'-P energy: -118.097 bonds (distance) P-C4' energy: -132.204 flat angles C4'-P-C4' energy: -113.882 flat angles P-C4'-P energy: -67.934 tors. eta vs tors. theta energy: -16.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -774.907954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.907954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.907954 (E_RNA) where: Base-Base interactions energy: -348.472 where: short stacking energy: -219.505 Base-Backbone interact. energy: -0.114 local terms energy: -426.322292 where: bonds (distance) C4'-P energy: -137.381 bonds (distance) P-C4' energy: -132.975 flat angles C4'-P-C4' energy: -100.754 flat angles P-C4'-P energy: -64.815 tors. eta vs tors. theta energy: 9.604 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: 8 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -2853.929641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.929641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.929641 (E_RNA) where: Base-Base interactions energy: -1983.269 where: short stacking energy: -856.502 Base-Backbone interact. energy: -4.832 local terms energy: -865.827849 where: bonds (distance) C4'-P energy: -163.151 bonds (distance) P-C4' energy: -157.341 flat angles C4'-P-C4' energy: -183.723 flat angles P-C4'-P energy: -117.080 tors. eta vs tors. theta energy: -244.533 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: 6 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -2769.925927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.925927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.925927 (E_RNA) where: Base-Base interactions energy: -1909.867 where: short stacking energy: -817.743 Base-Backbone interact. energy: -1.906 local terms energy: -858.152936 where: bonds (distance) C4'-P energy: -156.501 bonds (distance) P-C4' energy: -170.768 flat angles C4'-P-C4' energy: -184.421 flat angles P-C4'-P energy: -118.504 tors. eta vs tors. theta energy: -227.960 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: 4 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -2649.262879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.262879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.262879 (E_RNA) where: Base-Base interactions energy: -1847.606 where: short stacking energy: -780.633 Base-Backbone interact. energy: -3.193 local terms energy: -798.464014 where: bonds (distance) C4'-P energy: -147.527 bonds (distance) P-C4' energy: -154.943 flat angles C4'-P-C4' energy: -177.404 flat angles P-C4'-P energy: -104.912 tors. eta vs tors. theta energy: -213.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -2587.259528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.259528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.259528 (E_RNA) where: Base-Base interactions energy: -1812.295 where: short stacking energy: -772.434 Base-Backbone interact. energy: 1.671 local terms energy: -776.635256 where: bonds (distance) C4'-P energy: -146.453 bonds (distance) P-C4' energy: -152.381 flat angles C4'-P-C4' energy: -166.377 flat angles P-C4'-P energy: -98.696 tors. eta vs tors. theta energy: -212.730 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: 5, replica: 7 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -2389.715147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.715147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.715147 (E_RNA) where: Base-Base interactions energy: -1626.609 where: short stacking energy: -726.920 Base-Backbone interact. energy: -0.278 local terms energy: -762.828138 where: bonds (distance) C4'-P energy: -133.940 bonds (distance) P-C4' energy: -155.559 flat angles C4'-P-C4' energy: -168.317 flat angles P-C4'-P energy: -116.630 tors. eta vs tors. theta energy: -188.382 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: 6, replica: 5 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -2162.230744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.230744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.230744 (E_RNA) where: Base-Base interactions energy: -1460.646 where: short stacking energy: -653.298 Base-Backbone interact. energy: 1.017 local terms energy: -702.601326 where: bonds (distance) C4'-P energy: -128.830 bonds (distance) P-C4' energy: -146.916 flat angles C4'-P-C4' energy: -164.871 flat angles P-C4'-P energy: -94.329 tors. eta vs tors. theta energy: -167.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1912.658108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.658108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.658108 (E_RNA) where: Base-Base interactions energy: -1308.057 where: short stacking energy: -580.770 Base-Backbone interact. energy: 0.687 local terms energy: -605.288256 where: bonds (distance) C4'-P energy: -129.845 bonds (distance) P-C4' energy: -142.925 flat angles C4'-P-C4' energy: -139.615 flat angles P-C4'-P energy: -62.405 tors. eta vs tors. theta energy: -130.499 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: 2 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1638.726580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.726580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.726580 (E_RNA) where: Base-Base interactions energy: -1058.480 where: short stacking energy: -493.052 Base-Backbone interact. energy: -0.727 local terms energy: -579.519696 where: bonds (distance) C4'-P energy: -119.636 bonds (distance) P-C4' energy: -132.086 flat angles C4'-P-C4' energy: -144.518 flat angles P-C4'-P energy: -81.440 tors. eta vs tors. theta energy: -101.840 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: 9, replica: 3 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -1141.308289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.308289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.308289 (E_RNA) where: Base-Base interactions energy: -632.514 where: short stacking energy: -324.253 Base-Backbone interact. energy: 0.759 local terms energy: -509.552528 where: bonds (distance) C4'-P energy: -139.624 bonds (distance) P-C4' energy: -154.758 flat angles C4'-P-C4' energy: -140.461 flat angles P-C4'-P energy: -67.397 tors. eta vs tors. theta energy: -7.313 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: 10, replica: 1 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -819.672617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.672617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.672617 (E_RNA) where: Base-Base interactions energy: -384.577 where: short stacking energy: -246.170 Base-Backbone interact. energy: 1.844 local terms energy: -436.940109 where: bonds (distance) C4'-P energy: -122.635 bonds (distance) P-C4' energy: -139.738 flat angles C4'-P-C4' energy: -121.960 flat angles P-C4'-P energy: -55.488 tors. eta vs tors. theta energy: 2.882 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: 163 Temperature: 0.900000 Total energy: -2807.602186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.602186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.602186 (E_RNA) where: Base-Base interactions energy: -1952.479 where: short stacking energy: -824.675 Base-Backbone interact. energy: -2.066 local terms energy: -853.056278 where: bonds (distance) C4'-P energy: -158.593 bonds (distance) P-C4' energy: -160.514 flat angles C4'-P-C4' energy: -181.260 flat angles P-C4'-P energy: -114.420 tors. eta vs tors. theta energy: -238.271 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: 6 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -2762.458876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.458876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.458876 (E_RNA) where: Base-Base interactions energy: -1926.281 where: short stacking energy: -849.606 Base-Backbone interact. energy: -1.877 local terms energy: -834.301581 where: bonds (distance) C4'-P energy: -158.242 bonds (distance) P-C4' energy: -148.343 flat angles C4'-P-C4' energy: -169.265 flat angles P-C4'-P energy: -118.093 tors. eta vs tors. theta energy: -240.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -2652.210126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.210126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.210126 (E_RNA) where: Base-Base interactions energy: -1849.892 where: short stacking energy: -773.383 Base-Backbone interact. energy: -7.041 local terms energy: -795.276975 where: bonds (distance) C4'-P energy: -143.954 bonds (distance) P-C4' energy: -158.018 flat angles C4'-P-C4' energy: -168.682 flat angles P-C4'-P energy: -112.010 tors. eta vs tors. theta energy: -212.613 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: 10 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -2607.409465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.409465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.409465 (E_RNA) where: Base-Base interactions energy: -1830.770 where: short stacking energy: -754.799 Base-Backbone interact. energy: -3.853 local terms energy: -772.786329 where: bonds (distance) C4'-P energy: -143.782 bonds (distance) P-C4' energy: -150.956 flat angles C4'-P-C4' energy: -175.788 flat angles P-C4'-P energy: -83.260 tors. eta vs tors. theta energy: -219.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -2369.946752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.946752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.946752 (E_RNA) where: Base-Base interactions energy: -1609.273 where: short stacking energy: -696.313 Base-Backbone interact. energy: -1.636 local terms energy: -759.038313 where: bonds (distance) C4'-P energy: -142.102 bonds (distance) P-C4' energy: -156.015 flat angles C4'-P-C4' energy: -166.064 flat angles P-C4'-P energy: -105.897 tors. eta vs tors. theta energy: -188.959 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: 6, replica: 5 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -2097.539218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.539218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.539218 (E_RNA) where: Base-Base interactions energy: -1417.855 where: short stacking energy: -618.497 Base-Backbone interact. energy: 2.189 local terms energy: -681.873450 where: bonds (distance) C4'-P energy: -150.281 bonds (distance) P-C4' energy: -143.243 flat angles C4'-P-C4' energy: -155.699 flat angles P-C4'-P energy: -93.760 tors. eta vs tors. theta energy: -138.890 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: 7, replica: 9 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1931.473681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.473681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.473681 (E_RNA) where: Base-Base interactions energy: -1315.441 where: short stacking energy: -570.273 Base-Backbone interact. energy: -2.437 local terms energy: -613.596087 where: bonds (distance) C4'-P energy: -133.636 bonds (distance) P-C4' energy: -131.255 flat angles C4'-P-C4' energy: -142.181 flat angles P-C4'-P energy: -66.270 tors. eta vs tors. theta energy: -140.254 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: 8, replica: 2 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1646.837364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.837364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.837364 (E_RNA) where: Base-Base interactions energy: -1057.646 where: short stacking energy: -479.756 Base-Backbone interact. energy: -2.408 local terms energy: -586.782709 where: bonds (distance) C4'-P energy: -133.708 bonds (distance) P-C4' energy: -144.795 flat angles C4'-P-C4' energy: -116.290 flat angles P-C4'-P energy: -94.807 tors. eta vs tors. theta energy: -97.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -1193.069237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.069237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.069237 (E_RNA) where: Base-Base interactions energy: -686.215 where: short stacking energy: -336.082 Base-Backbone interact. energy: -1.744 local terms energy: -505.110362 where: bonds (distance) C4'-P energy: -131.642 bonds (distance) P-C4' energy: -146.742 flat angles C4'-P-C4' energy: -124.665 flat angles P-C4'-P energy: -63.831 tors. eta vs tors. theta energy: -38.231 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: 10, replica: 1 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -819.187746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.187746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.187746 (E_RNA) where: Base-Base interactions energy: -380.633 where: short stacking energy: -215.848 Base-Backbone interact. energy: -2.668 local terms energy: -435.886808 where: bonds (distance) C4'-P energy: -127.473 bonds (distance) P-C4' energy: -133.503 flat angles C4'-P-C4' energy: -109.400 flat angles P-C4'-P energy: -70.406 tors. eta vs tors. theta energy: 4.896 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: 1, replica: 8 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -2827.358142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.358142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.358142 (E_RNA) where: Base-Base interactions energy: -1952.973 where: short stacking energy: -835.375 Base-Backbone interact. energy: -2.852 local terms energy: -871.532587 where: bonds (distance) C4'-P energy: -169.967 bonds (distance) P-C4' energy: -157.704 flat angles C4'-P-C4' energy: -187.382 flat angles P-C4'-P energy: -118.420 tors. eta vs tors. theta energy: -238.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2819.953062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.953062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.953062 (E_RNA) where: Base-Base interactions energy: -1953.325 where: short stacking energy: -843.313 Base-Backbone interact. energy: -0.645 local terms energy: -865.982294 where: bonds (distance) C4'-P energy: -141.736 bonds (distance) P-C4' energy: -162.315 flat angles C4'-P-C4' energy: -180.149 flat angles P-C4'-P energy: -140.171 tors. eta vs tors. theta energy: -241.611 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: 3, replica: 4 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -2706.093760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.093760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.093760 (E_RNA) where: Base-Base interactions energy: -1866.819 where: short stacking energy: -764.055 Base-Backbone interact. energy: -2.216 local terms energy: -837.058557 where: bonds (distance) C4'-P energy: -167.876 bonds (distance) P-C4' energy: -145.195 flat angles C4'-P-C4' energy: -177.587 flat angles P-C4'-P energy: -133.443 tors. eta vs tors. theta energy: -212.958 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: 4, replica: 10 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -2590.278859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.278859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.278859 (E_RNA) where: Base-Base interactions energy: -1814.494 where: short stacking energy: -778.869 Base-Backbone interact. energy: 1.892 local terms energy: -777.677387 where: bonds (distance) C4'-P energy: -159.082 bonds (distance) P-C4' energy: -143.312 flat angles C4'-P-C4' energy: -164.478 flat angles P-C4'-P energy: -97.873 tors. eta vs tors. theta energy: -212.932 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: 5, replica: 7 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -2318.721616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.721616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.721616 (E_RNA) where: Base-Base interactions energy: -1567.315 where: short stacking energy: -698.834 Base-Backbone interact. energy: 2.759 local terms energy: -754.165965 where: bonds (distance) C4'-P energy: -149.982 bonds (distance) P-C4' energy: -151.667 flat angles C4'-P-C4' energy: -159.261 flat angles P-C4'-P energy: -116.161 tors. eta vs tors. theta energy: -177.094 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: 164 Temperature: 1.150000 Total energy: -2183.843253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.843253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.843253 (E_RNA) where: Base-Base interactions energy: -1518.745 where: short stacking energy: -675.278 Base-Backbone interact. energy: 1.049 local terms energy: -666.146757 where: bonds (distance) C4'-P energy: -122.045 bonds (distance) P-C4' energy: -132.182 flat angles C4'-P-C4' energy: -156.044 flat angles P-C4'-P energy: -91.037 tors. eta vs tors. theta energy: -164.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1954.374601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.374601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.374601 (E_RNA) where: Base-Base interactions energy: -1319.042 where: short stacking energy: -574.699 Base-Backbone interact. energy: -0.800 local terms energy: -634.532923 where: bonds (distance) C4'-P energy: -129.257 bonds (distance) P-C4' energy: -135.423 flat angles C4'-P-C4' energy: -131.663 flat angles P-C4'-P energy: -107.800 tors. eta vs tors. theta energy: -130.390 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: 8, replica: 2 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1616.132588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.132588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.132588 (E_RNA) where: Base-Base interactions energy: -1062.643 where: short stacking energy: -481.876 Base-Backbone interact. energy: 1.087 local terms energy: -554.576574 where: bonds (distance) C4'-P energy: -124.469 bonds (distance) P-C4' energy: -131.426 flat angles C4'-P-C4' energy: -130.306 flat angles P-C4'-P energy: -83.416 tors. eta vs tors. theta energy: -84.960 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: 3 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -1279.077979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.077979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.077979 (E_RNA) where: Base-Base interactions energy: -790.721 where: short stacking energy: -364.911 Base-Backbone interact. energy: -3.426 local terms energy: -484.931755 where: bonds (distance) C4'-P energy: -121.211 bonds (distance) P-C4' energy: -125.323 flat angles C4'-P-C4' energy: -116.309 flat angles P-C4'-P energy: -65.951 tors. eta vs tors. theta energy: -56.138 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: 1 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -812.974866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.974866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.974866 (E_RNA) where: Base-Base interactions energy: -405.627 where: short stacking energy: -232.952 Base-Backbone interact. energy: 7.176 local terms energy: -414.523319 where: bonds (distance) C4'-P energy: -146.189 bonds (distance) P-C4' energy: -121.888 flat angles C4'-P-C4' energy: -115.846 flat angles P-C4'-P energy: -60.386 tors. eta vs tors. theta energy: 29.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -2852.296878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.296878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.296878 (E_RNA) where: Base-Base interactions energy: -1976.803 where: short stacking energy: -839.463 Base-Backbone interact. energy: -6.119 local terms energy: -869.374838 where: bonds (distance) C4'-P energy: -151.416 bonds (distance) P-C4' energy: -167.533 flat angles C4'-P-C4' energy: -182.176 flat angles P-C4'-P energy: -127.686 tors. eta vs tors. theta energy: -240.565 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: 2, replica: 6 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2790.900308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.900308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.900308 (E_RNA) where: Base-Base interactions energy: -1920.954 where: short stacking energy: -839.844 Base-Backbone interact. energy: -2.550 local terms energy: -867.395444 where: bonds (distance) C4'-P energy: -159.236 bonds (distance) P-C4' energy: -161.816 flat angles C4'-P-C4' energy: -195.229 flat angles P-C4'-P energy: -107.077 tors. eta vs tors. theta energy: -244.038 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: 3, replica: 4 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -2724.962066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.962066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.962066 (E_RNA) where: Base-Base interactions energy: -1920.423 where: short stacking energy: -794.568 Base-Backbone interact. energy: -2.009 local terms energy: -802.530379 where: bonds (distance) C4'-P energy: -141.218 bonds (distance) P-C4' energy: -171.832 flat angles C4'-P-C4' energy: -173.038 flat angles P-C4'-P energy: -103.489 tors. eta vs tors. theta energy: -212.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -2576.406167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.406167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.406167 (E_RNA) where: Base-Base interactions energy: -1789.085 where: short stacking energy: -795.581 Base-Backbone interact. energy: -3.765 local terms energy: -783.556233 where: bonds (distance) C4'-P energy: -146.234 bonds (distance) P-C4' energy: -155.073 flat angles C4'-P-C4' energy: -177.012 flat angles P-C4'-P energy: -93.096 tors. eta vs tors. theta energy: -212.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -2407.740677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.740677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.740677 (E_RNA) where: Base-Base interactions energy: -1652.752 where: short stacking energy: -738.909 Base-Backbone interact. energy: -0.433 local terms energy: -754.555645 where: bonds (distance) C4'-P energy: -128.777 bonds (distance) P-C4' energy: -149.123 flat angles C4'-P-C4' energy: -162.015 flat angles P-C4'-P energy: -120.967 tors. eta vs tors. theta energy: -193.673 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: 5 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -2150.504113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.504113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.504113 (E_RNA) where: Base-Base interactions energy: -1481.332 where: short stacking energy: -638.397 Base-Backbone interact. energy: 2.505 local terms energy: -671.677696 where: bonds (distance) C4'-P energy: -139.445 bonds (distance) P-C4' energy: -139.261 flat angles C4'-P-C4' energy: -158.518 flat angles P-C4'-P energy: -83.044 tors. eta vs tors. theta energy: -151.410 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: 9 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1925.427838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.427838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.427838 (E_RNA) where: Base-Base interactions energy: -1268.085 where: short stacking energy: -573.920 Base-Backbone interact. energy: -5.152 local terms energy: -652.190255 where: bonds (distance) C4'-P energy: -133.740 bonds (distance) P-C4' energy: -153.736 flat angles C4'-P-C4' energy: -136.154 flat angles P-C4'-P energy: -107.700 tors. eta vs tors. theta energy: -120.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1591.203661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.203661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.203661 (E_RNA) where: Base-Base interactions energy: -1028.084 where: short stacking energy: -462.324 Base-Backbone interact. energy: -2.173 local terms energy: -560.947313 where: bonds (distance) C4'-P energy: -120.486 bonds (distance) P-C4' energy: -144.180 flat angles C4'-P-C4' energy: -127.501 flat angles P-C4'-P energy: -82.187 tors. eta vs tors. theta energy: -86.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -1135.452301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.452301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.452301 (E_RNA) where: Base-Base interactions energy: -643.008 where: short stacking energy: -353.711 Base-Backbone interact. energy: 0.374 local terms energy: -492.818644 where: bonds (distance) C4'-P energy: -122.986 bonds (distance) P-C4' energy: -132.020 flat angles C4'-P-C4' energy: -115.456 flat angles P-C4'-P energy: -67.745 tors. eta vs tors. theta energy: -54.612 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: 10, replica: 1 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -799.678068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.678068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.678068 (E_RNA) where: Base-Base interactions energy: -405.034 where: short stacking energy: -227.958 Base-Backbone interact. energy: 0.977 local terms energy: -395.620652 where: bonds (distance) C4'-P energy: -121.071 bonds (distance) P-C4' energy: -121.701 flat angles C4'-P-C4' energy: -110.752 flat angles P-C4'-P energy: -60.420 tors. eta vs tors. theta energy: 18.323 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: 1, replica: 6 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -2898.798535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.798535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.798535 (E_RNA) where: Base-Base interactions energy: -2004.383 where: short stacking energy: -878.340 Base-Backbone interact. energy: -1.819 local terms energy: -892.596104 where: bonds (distance) C4'-P energy: -153.981 bonds (distance) P-C4' energy: -166.532 flat angles C4'-P-C4' energy: -191.132 flat angles P-C4'-P energy: -130.075 tors. eta vs tors. theta energy: -250.876 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: 166 Temperature: 0.950000 Total energy: -2794.297803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.297803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.297803 (E_RNA) where: Base-Base interactions energy: -1916.839 where: short stacking energy: -813.593 Base-Backbone interact. energy: -10.851 local terms energy: -866.607694 where: bonds (distance) C4'-P energy: -147.536 bonds (distance) P-C4' energy: -164.972 flat angles C4'-P-C4' energy: -187.032 flat angles P-C4'-P energy: -134.003 tors. eta vs tors. theta energy: -233.065 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: 4 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -2620.950116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.950116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.950116 (E_RNA) where: Base-Base interactions energy: -1847.983 where: short stacking energy: -776.356 Base-Backbone interact. energy: -1.532 local terms energy: -771.434488 where: bonds (distance) C4'-P energy: -126.155 bonds (distance) P-C4' energy: -155.536 flat angles C4'-P-C4' energy: -167.027 flat angles P-C4'-P energy: -111.251 tors. eta vs tors. theta energy: -211.466 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: 4, replica: 10 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -2576.515508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.515508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.515508 (E_RNA) where: Base-Base interactions energy: -1799.518 where: short stacking energy: -772.415 Base-Backbone interact. energy: -3.942 local terms energy: -773.055622 where: bonds (distance) C4'-P energy: -123.104 bonds (distance) P-C4' energy: -148.544 flat angles C4'-P-C4' energy: -176.685 flat angles P-C4'-P energy: -114.911 tors. eta vs tors. theta energy: -209.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -2353.134337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.134337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.134337 (E_RNA) where: Base-Base interactions energy: -1612.903 where: short stacking energy: -728.751 Base-Backbone interact. energy: 1.003 local terms energy: -741.234524 where: bonds (distance) C4'-P energy: -141.324 bonds (distance) P-C4' energy: -151.412 flat angles C4'-P-C4' energy: -153.797 flat angles P-C4'-P energy: -96.810 tors. eta vs tors. theta energy: -197.891 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: 166 Temperature: 1.150000 Total energy: -2204.018556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.018556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.018556 (E_RNA) where: Base-Base interactions energy: -1469.886 where: short stacking energy: -629.282 Base-Backbone interact. energy: -2.165 local terms energy: -731.967332 where: bonds (distance) C4'-P energy: -154.817 bonds (distance) P-C4' energy: -149.544 flat angles C4'-P-C4' energy: -148.665 flat angles P-C4'-P energy: -119.086 tors. eta vs tors. theta energy: -159.855 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: 7, replica: 9 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1965.988900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.988900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.988900 (E_RNA) where: Base-Base interactions energy: -1295.053 where: short stacking energy: -551.825 Base-Backbone interact. energy: -2.710 local terms energy: -668.225978 where: bonds (distance) C4'-P energy: -132.281 bonds (distance) P-C4' energy: -133.069 flat angles C4'-P-C4' energy: -151.100 flat angles P-C4'-P energy: -109.188 tors. eta vs tors. theta energy: -142.588 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: 8, replica: 2 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1585.029163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.029163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.029163 (E_RNA) where: Base-Base interactions energy: -1005.643 where: short stacking energy: -482.119 Base-Backbone interact. energy: -0.401 local terms energy: -578.984540 where: bonds (distance) C4'-P energy: -126.387 bonds (distance) P-C4' energy: -137.097 flat angles C4'-P-C4' energy: -144.966 flat angles P-C4'-P energy: -78.310 tors. eta vs tors. theta energy: -92.225 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: 9, replica: 3 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -1121.090690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.090690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.090690 (E_RNA) where: Base-Base interactions energy: -656.084 where: short stacking energy: -326.864 Base-Backbone interact. energy: 1.467 local terms energy: -466.473471 where: bonds (distance) C4'-P energy: -135.077 bonds (distance) P-C4' energy: -136.618 flat angles C4'-P-C4' energy: -116.338 flat angles P-C4'-P energy: -61.665 tors. eta vs tors. theta energy: -16.775 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: 1 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -778.648049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.648049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.648049 (E_RNA) where: Base-Base interactions energy: -366.860 where: short stacking energy: -251.593 Base-Backbone interact. energy: 3.961 local terms energy: -415.748665 where: bonds (distance) C4'-P energy: -100.275 bonds (distance) P-C4' energy: -129.904 flat angles C4'-P-C4' energy: -121.974 flat angles P-C4'-P energy: -65.531 tors. eta vs tors. theta energy: 1.935 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: 1, replica: 6 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -2911.983185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.983185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.983185 (E_RNA) where: Base-Base interactions energy: -2026.205 where: short stacking energy: -884.126 Base-Backbone interact. energy: -1.215 local terms energy: -884.562994 where: bonds (distance) C4'-P energy: -166.755 bonds (distance) P-C4' energy: -155.506 flat angles C4'-P-C4' energy: -186.086 flat angles P-C4'-P energy: -127.727 tors. eta vs tors. theta energy: -248.490 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: 8 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -2815.659130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.659130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.659130 (E_RNA) where: Base-Base interactions energy: -1973.992 where: short stacking energy: -814.002 Base-Backbone interact. energy: -2.957 local terms energy: -838.710172 where: bonds (distance) C4'-P energy: -148.521 bonds (distance) P-C4' energy: -163.728 flat angles C4'-P-C4' energy: -185.277 flat angles P-C4'-P energy: -108.589 tors. eta vs tors. theta energy: -232.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -2645.157246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.157246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.157246 (E_RNA) where: Base-Base interactions energy: -1871.582 where: short stacking energy: -786.747 Base-Backbone interact. energy: -0.935 local terms energy: -772.640618 where: bonds (distance) C4'-P energy: -140.341 bonds (distance) P-C4' energy: -135.126 flat angles C4'-P-C4' energy: -175.589 flat angles P-C4'-P energy: -115.758 tors. eta vs tors. theta energy: -205.827 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: 10 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -2516.522303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.522303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.522303 (E_RNA) where: Base-Base interactions energy: -1735.661 where: short stacking energy: -748.215 Base-Backbone interact. energy: -3.275 local terms energy: -777.585970 where: bonds (distance) C4'-P energy: -149.838 bonds (distance) P-C4' energy: -142.694 flat angles C4'-P-C4' energy: -181.248 flat angles P-C4'-P energy: -101.105 tors. eta vs tors. theta energy: -202.701 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: 7 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -2364.222683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.222683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.222683 (E_RNA) where: Base-Base interactions energy: -1605.671 where: short stacking energy: -726.879 Base-Backbone interact. energy: -4.639 local terms energy: -753.912187 where: bonds (distance) C4'-P energy: -136.583 bonds (distance) P-C4' energy: -141.491 flat angles C4'-P-C4' energy: -173.836 flat angles P-C4'-P energy: -108.276 tors. eta vs tors. theta energy: -193.726 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: 6, replica: 5 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -2227.016818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.016818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.016818 (E_RNA) where: Base-Base interactions energy: -1562.456 where: short stacking energy: -631.682 Base-Backbone interact. energy: -1.666 local terms energy: -662.895016 where: bonds (distance) C4'-P energy: -135.081 bonds (distance) P-C4' energy: -116.065 flat angles C4'-P-C4' energy: -153.552 flat angles P-C4'-P energy: -99.512 tors. eta vs tors. theta energy: -158.684 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: 7, replica: 9 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1969.794163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.794163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.794163 (E_RNA) where: Base-Base interactions energy: -1293.576 where: short stacking energy: -570.037 Base-Backbone interact. energy: 4.969 local terms energy: -681.187117 where: bonds (distance) C4'-P energy: -143.446 bonds (distance) P-C4' energy: -139.876 flat angles C4'-P-C4' energy: -161.209 flat angles P-C4'-P energy: -93.967 tors. eta vs tors. theta energy: -142.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1628.052269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.052269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.052269 (E_RNA) where: Base-Base interactions energy: -1058.582 where: short stacking energy: -478.319 Base-Backbone interact. energy: -3.747 local terms energy: -565.723489 where: bonds (distance) C4'-P energy: -110.234 bonds (distance) P-C4' energy: -127.198 flat angles C4'-P-C4' energy: -136.036 flat angles P-C4'-P energy: -80.953 tors. eta vs tors. theta energy: -111.302 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: 3 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -1019.008620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.008620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.008620 (E_RNA) where: Base-Base interactions energy: -558.145 where: short stacking energy: -310.820 Base-Backbone interact. energy: 4.896 local terms energy: -465.760156 where: bonds (distance) C4'-P energy: -128.488 bonds (distance) P-C4' energy: -135.100 flat angles C4'-P-C4' energy: -111.969 flat angles P-C4'-P energy: -70.142 tors. eta vs tors. theta energy: -20.061 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: 1 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -921.409711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.409711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.409711 (E_RNA) where: Base-Base interactions energy: -491.077 where: short stacking energy: -260.919 Base-Backbone interact. energy: 0.396 local terms energy: -430.729090 where: bonds (distance) C4'-P energy: -112.390 bonds (distance) P-C4' energy: -130.598 flat angles C4'-P-C4' energy: -112.851 flat angles P-C4'-P energy: -74.766 tors. eta vs tors. theta energy: -0.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -2893.369711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.369711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.369711 (E_RNA) where: Base-Base interactions energy: -1984.386 where: short stacking energy: -884.991 Base-Backbone interact. energy: -2.032 local terms energy: -906.951910 where: bonds (distance) C4'-P energy: -172.154 bonds (distance) P-C4' energy: -169.807 flat angles C4'-P-C4' energy: -192.636 flat angles P-C4'-P energy: -115.384 tors. eta vs tors. theta energy: -256.971 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: 2, replica: 8 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -2766.540779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.540779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.540779 (E_RNA) where: Base-Base interactions energy: -1949.036 where: short stacking energy: -836.703 Base-Backbone interact. energy: -1.121 local terms energy: -816.384455 where: bonds (distance) C4'-P energy: -146.548 bonds (distance) P-C4' energy: -144.214 flat angles C4'-P-C4' energy: -169.329 flat angles P-C4'-P energy: -120.382 tors. eta vs tors. theta energy: -235.912 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: 3, replica: 4 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -2640.795465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.795465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.795465 (E_RNA) where: Base-Base interactions energy: -1853.805 where: short stacking energy: -774.838 Base-Backbone interact. energy: -4.790 local terms energy: -782.200636 where: bonds (distance) C4'-P energy: -141.810 bonds (distance) P-C4' energy: -155.371 flat angles C4'-P-C4' energy: -163.670 flat angles P-C4'-P energy: -117.692 tors. eta vs tors. theta energy: -203.658 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: 4, replica: 10 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -2538.868695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.868695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.868695 (E_RNA) where: Base-Base interactions energy: -1764.577 where: short stacking energy: -761.178 Base-Backbone interact. energy: -0.122 local terms energy: -774.169538 where: bonds (distance) C4'-P energy: -147.797 bonds (distance) P-C4' energy: -135.067 flat angles C4'-P-C4' energy: -176.389 flat angles P-C4'-P energy: -112.511 tors. eta vs tors. theta energy: -202.407 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: 7 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -2395.183583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.183583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.183583 (E_RNA) where: Base-Base interactions energy: -1648.327 where: short stacking energy: -726.903 Base-Backbone interact. energy: -3.068 local terms energy: -743.788565 where: bonds (distance) C4'-P energy: -141.373 bonds (distance) P-C4' energy: -138.886 flat angles C4'-P-C4' energy: -160.792 flat angles P-C4'-P energy: -102.812 tors. eta vs tors. theta energy: -199.926 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: 5 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -2181.843573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.843573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.843573 (E_RNA) where: Base-Base interactions energy: -1501.067 where: short stacking energy: -645.423 Base-Backbone interact. energy: -3.892 local terms energy: -676.885343 where: bonds (distance) C4'-P energy: -143.419 bonds (distance) P-C4' energy: -132.309 flat angles C4'-P-C4' energy: -155.630 flat angles P-C4'-P energy: -100.306 tors. eta vs tors. theta energy: -145.221 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: 9 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -2022.761878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.761878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.761878 (E_RNA) where: Base-Base interactions energy: -1366.409 where: short stacking energy: -584.109 Base-Backbone interact. energy: -2.884 local terms energy: -653.469488 where: bonds (distance) C4'-P energy: -124.293 bonds (distance) P-C4' energy: -136.732 flat angles C4'-P-C4' energy: -156.359 flat angles P-C4'-P energy: -103.016 tors. eta vs tors. theta energy: -133.070 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: 8, replica: 2 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1594.919281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.919281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.919281 (E_RNA) where: Base-Base interactions energy: -1006.220 where: short stacking energy: -458.523 Base-Backbone interact. energy: -2.756 local terms energy: -585.942657 where: bonds (distance) C4'-P energy: -131.514 bonds (distance) P-C4' energy: -155.332 flat angles C4'-P-C4' energy: -131.302 flat angles P-C4'-P energy: -74.723 tors. eta vs tors. theta energy: -93.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -1073.521699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.521699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.521699 (E_RNA) where: Base-Base interactions energy: -563.474 where: short stacking energy: -308.767 Base-Backbone interact. energy: -0.427 local terms energy: -509.621112 where: bonds (distance) C4'-P energy: -125.904 bonds (distance) P-C4' energy: -138.867 flat angles C4'-P-C4' energy: -150.148 flat angles P-C4'-P energy: -79.523 tors. eta vs tors. theta energy: -15.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -914.255858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.255858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.255858 (E_RNA) where: Base-Base interactions energy: -481.631 where: short stacking energy: -270.870 Base-Backbone interact. energy: 4.939 local terms energy: -437.563610 where: bonds (distance) C4'-P energy: -120.736 bonds (distance) P-C4' energy: -114.642 flat angles C4'-P-C4' energy: -126.564 flat angles P-C4'-P energy: -80.921 tors. eta vs tors. theta energy: 5.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -2868.178187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.178187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.178187 (E_RNA) where: Base-Base interactions energy: -1956.056 where: short stacking energy: -865.245 Base-Backbone interact. energy: -2.878 local terms energy: -909.244587 where: bonds (distance) C4'-P energy: -175.562 bonds (distance) P-C4' energy: -175.922 flat angles C4'-P-C4' energy: -189.775 flat angles P-C4'-P energy: -123.531 tors. eta vs tors. theta energy: -244.454 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: 2, replica: 8 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -2738.948979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.948979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.948979 (E_RNA) where: Base-Base interactions energy: -1883.817 where: short stacking energy: -789.975 Base-Backbone interact. energy: -0.305 local terms energy: -854.827391 where: bonds (distance) C4'-P energy: -161.826 bonds (distance) P-C4' energy: -153.159 flat angles C4'-P-C4' energy: -188.215 flat angles P-C4'-P energy: -125.834 tors. eta vs tors. theta energy: -225.794 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: 4 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -2689.356351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.356351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.356351 (E_RNA) where: Base-Base interactions energy: -1885.567 where: short stacking energy: -781.393 Base-Backbone interact. energy: -4.814 local terms energy: -798.975093 where: bonds (distance) C4'-P energy: -146.099 bonds (distance) P-C4' energy: -156.077 flat angles C4'-P-C4' energy: -173.535 flat angles P-C4'-P energy: -117.671 tors. eta vs tors. theta energy: -205.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -2514.444390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.444390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.444390 (E_RNA) where: Base-Base interactions energy: -1771.225 where: short stacking energy: -768.600 Base-Backbone interact. energy: 2.897 local terms energy: -746.116695 where: bonds (distance) C4'-P energy: -122.864 bonds (distance) P-C4' energy: -159.368 flat angles C4'-P-C4' energy: -168.398 flat angles P-C4'-P energy: -102.483 tors. eta vs tors. theta energy: -193.004 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: 7 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -2401.000511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.000511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.000511 (E_RNA) where: Base-Base interactions energy: -1641.577 where: short stacking energy: -729.011 Base-Backbone interact. energy: -5.557 local terms energy: -753.866465 where: bonds (distance) C4'-P energy: -162.915 bonds (distance) P-C4' energy: -137.561 flat angles C4'-P-C4' energy: -150.968 flat angles P-C4'-P energy: -99.267 tors. eta vs tors. theta energy: -203.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -2220.319307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.319307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.319307 (E_RNA) where: Base-Base interactions energy: -1570.281 where: short stacking energy: -673.596 Base-Backbone interact. energy: -3.956 local terms energy: -646.082593 where: bonds (distance) C4'-P energy: -122.289 bonds (distance) P-C4' energy: -121.631 flat angles C4'-P-C4' energy: -164.196 flat angles P-C4'-P energy: -87.260 tors. eta vs tors. theta energy: -150.708 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: 9 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1964.008667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.008667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.008667 (E_RNA) where: Base-Base interactions energy: -1342.472 where: short stacking energy: -598.727 Base-Backbone interact. energy: -2.774 local terms energy: -618.762082 where: bonds (distance) C4'-P energy: -108.700 bonds (distance) P-C4' energy: -123.267 flat angles C4'-P-C4' energy: -148.581 flat angles P-C4'-P energy: -93.187 tors. eta vs tors. theta energy: -145.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1536.384224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.384224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.384224 (E_RNA) where: Base-Base interactions energy: -980.198 where: short stacking energy: -467.155 Base-Backbone interact. energy: 4.692 local terms energy: -560.878143 where: bonds (distance) C4'-P energy: -114.669 bonds (distance) P-C4' energy: -127.269 flat angles C4'-P-C4' energy: -153.299 flat angles P-C4'-P energy: -79.304 tors. eta vs tors. theta energy: -86.338 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: 9, replica: 3 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -1012.636000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.636000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.636000 (E_RNA) where: Base-Base interactions energy: -536.114 where: short stacking energy: -291.752 Base-Backbone interact. energy: 5.111 local terms energy: -481.632784 where: bonds (distance) C4'-P energy: -128.173 bonds (distance) P-C4' energy: -129.586 flat angles C4'-P-C4' energy: -136.074 flat angles P-C4'-P energy: -78.852 tors. eta vs tors. theta energy: -8.948 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: 1 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -900.057060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.057060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.057060 (E_RNA) where: Base-Base interactions energy: -484.179 where: short stacking energy: -273.207 Base-Backbone interact. energy: 1.933 local terms energy: -417.810952 where: bonds (distance) C4'-P energy: -125.022 bonds (distance) P-C4' energy: -124.187 flat angles C4'-P-C4' energy: -88.171 flat angles P-C4'-P energy: -72.244 tors. eta vs tors. theta energy: -8.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -2876.334582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.334582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.334582 (E_RNA) where: Base-Base interactions energy: -1984.828 where: short stacking energy: -868.912 Base-Backbone interact. energy: -0.078 local terms energy: -891.428111 where: bonds (distance) C4'-P energy: -157.911 bonds (distance) P-C4' energy: -164.747 flat angles C4'-P-C4' energy: -197.358 flat angles P-C4'-P energy: -117.309 tors. eta vs tors. theta energy: -254.104 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: 170 Temperature: 0.950000 Total energy: -2762.165229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.165229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.165229 (E_RNA) where: Base-Base interactions energy: -1921.588 where: short stacking energy: -817.376 Base-Backbone interact. energy: -4.452 local terms energy: -836.125188 where: bonds (distance) C4'-P energy: -158.700 bonds (distance) P-C4' energy: -150.957 flat angles C4'-P-C4' energy: -180.154 flat angles P-C4'-P energy: -118.453 tors. eta vs tors. theta energy: -227.862 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: 3, replica: 4 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -2643.171524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.171524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.171524 (E_RNA) where: Base-Base interactions energy: -1849.617 where: short stacking energy: -789.570 Base-Backbone interact. energy: -3.795 local terms energy: -789.759698 where: bonds (distance) C4'-P energy: -139.015 bonds (distance) P-C4' energy: -151.820 flat angles C4'-P-C4' energy: -167.875 flat angles P-C4'-P energy: -107.005 tors. eta vs tors. theta energy: -224.044 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: 10 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -2482.597754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.597754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.597754 (E_RNA) where: Base-Base interactions energy: -1720.374 where: short stacking energy: -739.469 Base-Backbone interact. energy: -2.811 local terms energy: -759.412013 where: bonds (distance) C4'-P energy: -133.364 bonds (distance) P-C4' energy: -155.812 flat angles C4'-P-C4' energy: -167.004 flat angles P-C4'-P energy: -114.768 tors. eta vs tors. theta energy: -188.465 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: 7 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -2407.402135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.402135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.402135 (E_RNA) where: Base-Base interactions energy: -1647.401 where: short stacking energy: -730.253 Base-Backbone interact. energy: -6.735 local terms energy: -753.266459 where: bonds (distance) C4'-P energy: -122.237 bonds (distance) P-C4' energy: -150.000 flat angles C4'-P-C4' energy: -162.773 flat angles P-C4'-P energy: -106.786 tors. eta vs tors. theta energy: -211.470 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: 5 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -2172.306642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.306642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.306642 (E_RNA) where: Base-Base interactions energy: -1471.395 where: short stacking energy: -619.336 Base-Backbone interact. energy: 2.466 local terms energy: -703.377168 where: bonds (distance) C4'-P energy: -131.560 bonds (distance) P-C4' energy: -141.102 flat angles C4'-P-C4' energy: -148.656 flat angles P-C4'-P energy: -105.184 tors. eta vs tors. theta energy: -176.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1928.328380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.328380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.328380 (E_RNA) where: Base-Base interactions energy: -1268.061 where: short stacking energy: -557.467 Base-Backbone interact. energy: 2.379 local terms energy: -662.646613 where: bonds (distance) C4'-P energy: -136.764 bonds (distance) P-C4' energy: -163.883 flat angles C4'-P-C4' energy: -154.033 flat angles P-C4'-P energy: -83.983 tors. eta vs tors. theta energy: -123.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1527.300028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.300028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.300028 (E_RNA) where: Base-Base interactions energy: -959.175 where: short stacking energy: -444.785 Base-Backbone interact. energy: -0.878 local terms energy: -567.247218 where: bonds (distance) C4'-P energy: -122.195 bonds (distance) P-C4' energy: -160.652 flat angles C4'-P-C4' energy: -135.998 flat angles P-C4'-P energy: -89.198 tors. eta vs tors. theta energy: -59.205 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: 9, replica: 3 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -1069.719756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.719756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.719756 (E_RNA) where: Base-Base interactions energy: -582.819 where: short stacking energy: -323.502 Base-Backbone interact. energy: -0.525 local terms energy: -486.376621 where: bonds (distance) C4'-P energy: -116.304 bonds (distance) P-C4' energy: -145.539 flat angles C4'-P-C4' energy: -110.924 flat angles P-C4'-P energy: -60.003 tors. eta vs tors. theta energy: -53.607 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: 1 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -883.541059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.541059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.541059 (E_RNA) where: Base-Base interactions energy: -438.923 where: short stacking energy: -273.713 Base-Backbone interact. energy: 4.882 local terms energy: -449.500936 where: bonds (distance) C4'-P energy: -129.105 bonds (distance) P-C4' energy: -139.912 flat angles C4'-P-C4' energy: -108.200 flat angles P-C4'-P energy: -68.766 tors. eta vs tors. theta energy: -3.517 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: 1, replica: 6 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -2883.967890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.967890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.967890 (E_RNA) where: Base-Base interactions energy: -2005.817 where: short stacking energy: -882.073 Base-Backbone interact. energy: -2.278 local terms energy: -875.872447 where: bonds (distance) C4'-P energy: -158.636 bonds (distance) P-C4' energy: -160.375 flat angles C4'-P-C4' energy: -190.537 flat angles P-C4'-P energy: -119.874 tors. eta vs tors. theta energy: -246.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -2750.481380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.481380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.481380 (E_RNA) where: Base-Base interactions energy: -1895.138 where: short stacking energy: -798.789 Base-Backbone interact. energy: -4.458 local terms energy: -850.884504 where: bonds (distance) C4'-P energy: -148.804 bonds (distance) P-C4' energy: -163.224 flat angles C4'-P-C4' energy: -185.313 flat angles P-C4'-P energy: -128.240 tors. eta vs tors. theta energy: -225.304 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: 3, replica: 4 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -2644.434841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.434841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.434841 (E_RNA) where: Base-Base interactions energy: -1845.696 where: short stacking energy: -803.762 Base-Backbone interact. energy: -1.431 local terms energy: -797.307602 where: bonds (distance) C4'-P energy: -142.429 bonds (distance) P-C4' energy: -162.123 flat angles C4'-P-C4' energy: -173.510 flat angles P-C4'-P energy: -117.761 tors. eta vs tors. theta energy: -201.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -2547.603223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.603223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.603223 (E_RNA) where: Base-Base interactions energy: -1745.930 where: short stacking energy: -740.134 Base-Backbone interact. energy: -1.344 local terms energy: -800.329777 where: bonds (distance) C4'-P energy: -149.678 bonds (distance) P-C4' energy: -173.326 flat angles C4'-P-C4' energy: -166.093 flat angles P-C4'-P energy: -98.562 tors. eta vs tors. theta energy: -212.672 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: 7 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -2420.798071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.798071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.798071 (E_RNA) where: Base-Base interactions energy: -1617.947 where: short stacking energy: -724.318 Base-Backbone interact. energy: 2.831 local terms energy: -805.682076 where: bonds (distance) C4'-P energy: -161.776 bonds (distance) P-C4' energy: -156.978 flat angles C4'-P-C4' energy: -175.482 flat angles P-C4'-P energy: -118.313 tors. eta vs tors. theta energy: -193.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -2189.474519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.474519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.474519 (E_RNA) where: Base-Base interactions energy: -1479.307 where: short stacking energy: -668.035 Base-Backbone interact. energy: -0.317 local terms energy: -709.851296 where: bonds (distance) C4'-P energy: -153.649 bonds (distance) P-C4' energy: -138.896 flat angles C4'-P-C4' energy: -162.318 flat angles P-C4'-P energy: -75.153 tors. eta vs tors. theta energy: -179.837 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: 171 Temperature: 1.200000 Total energy: -2016.136207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.136207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.136207 (E_RNA) where: Base-Base interactions energy: -1360.893 where: short stacking energy: -628.446 Base-Backbone interact. energy: -0.984 local terms energy: -654.259672 where: bonds (distance) C4'-P energy: -123.420 bonds (distance) P-C4' energy: -145.116 flat angles C4'-P-C4' energy: -146.880 flat angles P-C4'-P energy: -81.308 tors. eta vs tors. theta energy: -157.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1507.636662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.636662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.636662 (E_RNA) where: Base-Base interactions energy: -940.568 where: short stacking energy: -454.012 Base-Backbone interact. energy: -3.313 local terms energy: -563.755320 where: bonds (distance) C4'-P energy: -127.191 bonds (distance) P-C4' energy: -130.300 flat angles C4'-P-C4' energy: -147.634 flat angles P-C4'-P energy: -78.258 tors. eta vs tors. theta energy: -80.373 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: 3 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -957.312562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.312562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.312562 (E_RNA) where: Base-Base interactions energy: -513.574 where: short stacking energy: -290.664 Base-Backbone interact. energy: -0.334 local terms energy: -443.404272 where: bonds (distance) C4'-P energy: -126.488 bonds (distance) P-C4' energy: -147.471 flat angles C4'-P-C4' energy: -121.556 flat angles P-C4'-P energy: -45.918 tors. eta vs tors. theta energy: -1.971 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: 10, replica: 1 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -970.103176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.103176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.103176 (E_RNA) where: Base-Base interactions energy: -515.825 where: short stacking energy: -288.021 Base-Backbone interact. energy: -1.479 local terms energy: -452.799396 where: bonds (distance) C4'-P energy: -114.739 bonds (distance) P-C4' energy: -143.922 flat angles C4'-P-C4' energy: -112.606 flat angles P-C4'-P energy: -74.564 tors. eta vs tors. theta energy: -6.969 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: 6 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -2899.446073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.446073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.446073 (E_RNA) where: Base-Base interactions energy: -1999.877 where: short stacking energy: -866.463 Base-Backbone interact. energy: -3.235 local terms energy: -896.333752 where: bonds (distance) C4'-P energy: -161.640 bonds (distance) P-C4' energy: -174.536 flat angles C4'-P-C4' energy: -175.461 flat angles P-C4'-P energy: -131.810 tors. eta vs tors. theta energy: -252.886 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: 8 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -2761.818493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.818493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.818493 (E_RNA) where: Base-Base interactions energy: -1922.509 where: short stacking energy: -806.889 Base-Backbone interact. energy: -1.739 local terms energy: -837.570184 where: bonds (distance) C4'-P energy: -151.805 bonds (distance) P-C4' energy: -163.162 flat angles C4'-P-C4' energy: -178.291 flat angles P-C4'-P energy: -109.489 tors. eta vs tors. theta energy: -234.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -2644.036661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.036661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.036661 (E_RNA) where: Base-Base interactions energy: -1840.413 where: short stacking energy: -773.861 Base-Backbone interact. energy: -4.614 local terms energy: -799.009917 where: bonds (distance) C4'-P energy: -155.585 bonds (distance) P-C4' energy: -148.662 flat angles C4'-P-C4' energy: -183.779 flat angles P-C4'-P energy: -110.064 tors. eta vs tors. theta energy: -200.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -2541.412609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.412609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.412609 (E_RNA) where: Base-Base interactions energy: -1789.018 where: short stacking energy: -766.797 Base-Backbone interact. energy: -3.716 local terms energy: -748.678767 where: bonds (distance) C4'-P energy: -140.524 bonds (distance) P-C4' energy: -135.872 flat angles C4'-P-C4' energy: -154.324 flat angles P-C4'-P energy: -114.447 tors. eta vs tors. theta energy: -203.512 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: 5, replica: 7 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -2428.399639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.399639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.399639 (E_RNA) where: Base-Base interactions energy: -1693.419 where: short stacking energy: -761.036 Base-Backbone interact. energy: -0.941 local terms energy: -734.039751 where: bonds (distance) C4'-P energy: -131.056 bonds (distance) P-C4' energy: -130.733 flat angles C4'-P-C4' energy: -152.817 flat angles P-C4'-P energy: -107.436 tors. eta vs tors. theta energy: -211.998 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: 5 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -2239.125322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.125322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.125322 (E_RNA) where: Base-Base interactions energy: -1526.331 where: short stacking energy: -644.840 Base-Backbone interact. energy: 3.297 local terms energy: -716.091728 where: bonds (distance) C4'-P energy: -142.433 bonds (distance) P-C4' energy: -148.334 flat angles C4'-P-C4' energy: -161.862 flat angles P-C4'-P energy: -95.758 tors. eta vs tors. theta energy: -167.704 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: 9 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -2000.776162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.776162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.776162 (E_RNA) where: Base-Base interactions energy: -1361.176 where: short stacking energy: -589.840 Base-Backbone interact. energy: -3.140 local terms energy: -636.459511 where: bonds (distance) C4'-P energy: -146.858 bonds (distance) P-C4' energy: -134.938 flat angles C4'-P-C4' energy: -140.491 flat angles P-C4'-P energy: -86.101 tors. eta vs tors. theta energy: -128.072 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: 8, replica: 2 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1503.125926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.125926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.125926 (E_RNA) where: Base-Base interactions energy: -917.454 where: short stacking energy: -433.391 Base-Backbone interact. energy: -3.135 local terms energy: -582.537301 where: bonds (distance) C4'-P energy: -136.908 bonds (distance) P-C4' energy: -141.973 flat angles C4'-P-C4' energy: -129.156 flat angles P-C4'-P energy: -92.733 tors. eta vs tors. theta energy: -81.767 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: 9, replica: 3 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -922.633304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.633304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.633304 (E_RNA) where: Base-Base interactions energy: -495.029 where: short stacking energy: -307.743 Base-Backbone interact. energy: -1.604 local terms energy: -425.999907 where: bonds (distance) C4'-P energy: -126.049 bonds (distance) P-C4' energy: -115.588 flat angles C4'-P-C4' energy: -121.075 flat angles P-C4'-P energy: -59.937 tors. eta vs tors. theta energy: -3.351 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: 1 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -961.138934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.138934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.138934 (E_RNA) where: Base-Base interactions energy: -487.388 where: short stacking energy: -268.555 Base-Backbone interact. energy: -3.116 local terms energy: -470.634957 where: bonds (distance) C4'-P energy: -126.591 bonds (distance) P-C4' energy: -122.500 flat angles C4'-P-C4' energy: -120.232 flat angles P-C4'-P energy: -70.897 tors. eta vs tors. theta energy: -30.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -2862.005408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.005408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.005408 (E_RNA) where: Base-Base interactions energy: -1980.697 where: short stacking energy: -845.865 Base-Backbone interact. energy: -2.886 local terms energy: -878.423275 where: bonds (distance) C4'-P energy: -162.995 bonds (distance) P-C4' energy: -173.035 flat angles C4'-P-C4' energy: -180.495 flat angles P-C4'-P energy: -110.580 tors. eta vs tors. theta energy: -251.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2746.947436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.947436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.947436 (E_RNA) where: Base-Base interactions energy: -1914.630 where: short stacking energy: -783.609 Base-Backbone interact. energy: -5.790 local terms energy: -826.527590 where: bonds (distance) C4'-P energy: -150.729 bonds (distance) P-C4' energy: -146.399 flat angles C4'-P-C4' energy: -180.406 flat angles P-C4'-P energy: -119.047 tors. eta vs tors. theta energy: -229.946 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: 4 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -2647.989371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.989371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.989371 (E_RNA) where: Base-Base interactions energy: -1850.380 where: short stacking energy: -795.510 Base-Backbone interact. energy: -3.415 local terms energy: -794.194737 where: bonds (distance) C4'-P energy: -148.169 bonds (distance) P-C4' energy: -152.836 flat angles C4'-P-C4' energy: -163.604 flat angles P-C4'-P energy: -120.519 tors. eta vs tors. theta energy: -209.066 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: 10 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -2490.177099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.177099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.177099 (E_RNA) where: Base-Base interactions energy: -1723.681 where: short stacking energy: -743.981 Base-Backbone interact. energy: -1.963 local terms energy: -764.533349 where: bonds (distance) C4'-P energy: -158.703 bonds (distance) P-C4' energy: -136.662 flat angles C4'-P-C4' energy: -157.559 flat angles P-C4'-P energy: -113.516 tors. eta vs tors. theta energy: -198.093 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: 7 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -2448.286317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.286317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.286317 (E_RNA) where: Base-Base interactions energy: -1665.676 where: short stacking energy: -737.519 Base-Backbone interact. energy: 0.539 local terms energy: -783.148837 where: bonds (distance) C4'-P energy: -133.600 bonds (distance) P-C4' energy: -153.566 flat angles C4'-P-C4' energy: -172.739 flat angles P-C4'-P energy: -105.715 tors. eta vs tors. theta energy: -217.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -2216.480409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.480409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.480409 (E_RNA) where: Base-Base interactions energy: -1524.719 where: short stacking energy: -652.562 Base-Backbone interact. energy: -1.235 local terms energy: -690.526567 where: bonds (distance) C4'-P energy: -140.321 bonds (distance) P-C4' energy: -141.712 flat angles C4'-P-C4' energy: -153.201 flat angles P-C4'-P energy: -105.279 tors. eta vs tors. theta energy: -150.013 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: 7, replica: 9 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -2022.409694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.409694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.409694 (E_RNA) where: Base-Base interactions energy: -1371.467 where: short stacking energy: -589.488 Base-Backbone interact. energy: 2.614 local terms energy: -653.556301 where: bonds (distance) C4'-P energy: -135.023 bonds (distance) P-C4' energy: -134.560 flat angles C4'-P-C4' energy: -158.620 flat angles P-C4'-P energy: -75.464 tors. eta vs tors. theta energy: -149.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1500.893144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.893144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.893144 (E_RNA) where: Base-Base interactions energy: -935.371 where: short stacking energy: -474.223 Base-Backbone interact. energy: -2.441 local terms energy: -563.081315 where: bonds (distance) C4'-P energy: -127.682 bonds (distance) P-C4' energy: -128.408 flat angles C4'-P-C4' energy: -122.216 flat angles P-C4'-P energy: -81.893 tors. eta vs tors. theta energy: -102.882 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: 9, replica: 3 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -966.350075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.350075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.350075 (E_RNA) where: Base-Base interactions energy: -512.324 where: short stacking energy: -302.443 Base-Backbone interact. energy: -1.352 local terms energy: -452.674818 where: bonds (distance) C4'-P energy: -124.233 bonds (distance) P-C4' energy: -123.650 flat angles C4'-P-C4' energy: -117.639 flat angles P-C4'-P energy: -78.733 tors. eta vs tors. theta energy: -8.419 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: 10, replica: 1 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -945.365410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.365410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.365410 (E_RNA) where: Base-Base interactions energy: -526.287 where: short stacking energy: -283.964 Base-Backbone interact. energy: 4.006 local terms energy: -423.084149 where: bonds (distance) C4'-P energy: -126.129 bonds (distance) P-C4' energy: -117.185 flat angles C4'-P-C4' energy: -106.210 flat angles P-C4'-P energy: -65.127 tors. eta vs tors. theta energy: -8.433 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: 6 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -2888.103412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.103412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.103412 (E_RNA) where: Base-Base interactions energy: -2007.308 where: short stacking energy: -861.262 Base-Backbone interact. energy: 2.200 local terms energy: -882.995138 where: bonds (distance) C4'-P energy: -156.711 bonds (distance) P-C4' energy: -173.504 flat angles C4'-P-C4' energy: -196.296 flat angles P-C4'-P energy: -113.214 tors. eta vs tors. theta energy: -243.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2740.262993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.262993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.262993 (E_RNA) where: Base-Base interactions energy: -1902.249 where: short stacking energy: -814.615 Base-Backbone interact. energy: -0.489 local terms energy: -837.524192 where: bonds (distance) C4'-P energy: -138.089 bonds (distance) P-C4' energy: -158.302 flat angles C4'-P-C4' energy: -173.007 flat angles P-C4'-P energy: -129.495 tors. eta vs tors. theta energy: -238.632 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: 3, replica: 4 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -2665.829392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.829392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.829392 (E_RNA) where: Base-Base interactions energy: -1856.938 where: short stacking energy: -775.198 Base-Backbone interact. energy: -2.421 local terms energy: -806.470157 where: bonds (distance) C4'-P energy: -148.399 bonds (distance) P-C4' energy: -164.917 flat angles C4'-P-C4' energy: -172.508 flat angles P-C4'-P energy: -111.970 tors. eta vs tors. theta energy: -208.676 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: 10 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -2531.273511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.273511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.273511 (E_RNA) where: Base-Base interactions energy: -1738.150 where: short stacking energy: -778.248 Base-Backbone interact. energy: 3.468 local terms energy: -796.591373 where: bonds (distance) C4'-P energy: -143.178 bonds (distance) P-C4' energy: -139.868 flat angles C4'-P-C4' energy: -187.478 flat angles P-C4'-P energy: -110.616 tors. eta vs tors. theta energy: -215.451 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: 7 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -2429.719447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.719447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.719447 (E_RNA) where: Base-Base interactions energy: -1676.425 where: short stacking energy: -757.098 Base-Backbone interact. energy: 0.608 local terms energy: -753.902802 where: bonds (distance) C4'-P energy: -127.339 bonds (distance) P-C4' energy: -138.191 flat angles C4'-P-C4' energy: -164.756 flat angles P-C4'-P energy: -107.204 tors. eta vs tors. theta energy: -216.413 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: 6, replica: 5 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -2161.607130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.607130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.607130 (E_RNA) where: Base-Base interactions energy: -1464.708 where: short stacking energy: -626.328 Base-Backbone interact. energy: -0.427 local terms energy: -696.472400 where: bonds (distance) C4'-P energy: -139.269 bonds (distance) P-C4' energy: -150.444 flat angles C4'-P-C4' energy: -145.273 flat angles P-C4'-P energy: -94.942 tors. eta vs tors. theta energy: -166.544 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: 7, replica: 9 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1964.296207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.296207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.296207 (E_RNA) where: Base-Base interactions energy: -1321.771 where: short stacking energy: -590.652 Base-Backbone interact. energy: -0.396 local terms energy: -642.129708 where: bonds (distance) C4'-P energy: -136.085 bonds (distance) P-C4' energy: -148.128 flat angles C4'-P-C4' energy: -146.104 flat angles P-C4'-P energy: -78.382 tors. eta vs tors. theta energy: -133.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -1513.082408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.082408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.082408 (E_RNA) where: Base-Base interactions energy: -945.590 where: short stacking energy: -449.378 Base-Backbone interact. energy: 6.211 local terms energy: -573.703824 where: bonds (distance) C4'-P energy: -137.359 bonds (distance) P-C4' energy: -135.790 flat angles C4'-P-C4' energy: -144.234 flat angles P-C4'-P energy: -84.572 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: 9, replica: 1 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -997.263091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.263091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.263091 (E_RNA) where: Base-Base interactions energy: -534.330 where: short stacking energy: -285.076 Base-Backbone interact. energy: 2.436 local terms energy: -465.369882 where: bonds (distance) C4'-P energy: -134.524 bonds (distance) P-C4' energy: -112.036 flat angles C4'-P-C4' energy: -128.246 flat angles P-C4'-P energy: -85.472 tors. eta vs tors. theta energy: -5.092 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: 3 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -938.724244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.724244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.724244 (E_RNA) where: Base-Base interactions energy: -512.348 where: short stacking energy: -255.596 Base-Backbone interact. energy: 7.296 local terms energy: -433.671950 where: bonds (distance) C4'-P energy: -122.841 bonds (distance) P-C4' energy: -135.062 flat angles C4'-P-C4' energy: -101.356 flat angles P-C4'-P energy: -66.761 tors. eta vs tors. theta energy: -7.653 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: 6 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -2846.697803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.697803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.697803 (E_RNA) where: Base-Base interactions energy: -1964.906 where: short stacking energy: -857.255 Base-Backbone interact. energy: -4.223 local terms energy: -877.568315 where: bonds (distance) C4'-P energy: -139.006 bonds (distance) P-C4' energy: -173.926 flat angles C4'-P-C4' energy: -196.197 flat angles P-C4'-P energy: -128.331 tors. eta vs tors. theta energy: -240.108 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: 2, replica: 8 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2782.904922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.904922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.904922 (E_RNA) where: Base-Base interactions energy: -1924.746 where: short stacking energy: -804.789 Base-Backbone interact. energy: -5.453 local terms energy: -852.705781 where: bonds (distance) C4'-P energy: -149.897 bonds (distance) P-C4' energy: -158.493 flat angles C4'-P-C4' energy: -183.519 flat angles P-C4'-P energy: -119.398 tors. eta vs tors. theta energy: -241.398 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: 3, replica: 4 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -2629.714197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.714197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.714197 (E_RNA) where: Base-Base interactions energy: -1837.882 where: short stacking energy: -780.056 Base-Backbone interact. energy: 1.884 local terms energy: -793.716006 where: bonds (distance) C4'-P energy: -147.708 bonds (distance) P-C4' energy: -157.066 flat angles C4'-P-C4' energy: -166.127 flat angles P-C4'-P energy: -113.457 tors. eta vs tors. theta energy: -209.358 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: 10 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -2530.537460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.537460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.537460 (E_RNA) where: Base-Base interactions energy: -1728.770 where: short stacking energy: -756.537 Base-Backbone interact. energy: -0.380 local terms energy: -801.387314 where: bonds (distance) C4'-P energy: -153.924 bonds (distance) P-C4' energy: -162.941 flat angles C4'-P-C4' energy: -169.147 flat angles P-C4'-P energy: -111.199 tors. eta vs tors. theta energy: -204.176 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: 7 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -2395.551305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.551305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.551305 (E_RNA) where: Base-Base interactions energy: -1643.897 where: short stacking energy: -711.961 Base-Backbone interact. energy: -4.502 local terms energy: -747.152109 where: bonds (distance) C4'-P energy: -135.654 bonds (distance) P-C4' energy: -147.168 flat angles C4'-P-C4' energy: -152.936 flat angles P-C4'-P energy: -111.346 tors. eta vs tors. theta energy: -200.048 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: 6, replica: 5 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -2209.060451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.060451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.060451 (E_RNA) where: Base-Base interactions energy: -1514.809 where: short stacking energy: -652.390 Base-Backbone interact. energy: 3.049 local terms energy: -697.300583 where: bonds (distance) C4'-P energy: -146.659 bonds (distance) P-C4' energy: -133.342 flat angles C4'-P-C4' energy: -155.523 flat angles P-C4'-P energy: -96.970 tors. eta vs tors. theta energy: -164.806 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: 7, replica: 9 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -2031.096355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.096355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.096355 (E_RNA) where: Base-Base interactions energy: -1347.100 where: short stacking energy: -602.746 Base-Backbone interact. energy: -3.163 local terms energy: -680.834105 where: bonds (distance) C4'-P energy: -153.874 bonds (distance) P-C4' energy: -143.349 flat angles C4'-P-C4' energy: -145.994 flat angles P-C4'-P energy: -106.050 tors. eta vs tors. theta energy: -131.568 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: 8, replica: 2 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -1550.949105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.949105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.949105 (E_RNA) where: Base-Base interactions energy: -1009.060 where: short stacking energy: -484.251 Base-Backbone interact. energy: -2.323 local terms energy: -539.566791 where: bonds (distance) C4'-P energy: -119.147 bonds (distance) P-C4' energy: -131.071 flat angles C4'-P-C4' energy: -141.009 flat angles P-C4'-P energy: -61.855 tors. eta vs tors. theta energy: -86.485 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: 1 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -1074.160104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.160104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.160104 (E_RNA) where: Base-Base interactions energy: -574.301 where: short stacking energy: -313.392 Base-Backbone interact. energy: -2.977 local terms energy: -496.881787 where: bonds (distance) C4'-P energy: -143.863 bonds (distance) P-C4' energy: -136.100 flat angles C4'-P-C4' energy: -131.155 flat angles P-C4'-P energy: -57.088 tors. eta vs tors. theta energy: -28.676 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: 3 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -919.757454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.757454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.757454 (E_RNA) where: Base-Base interactions energy: -505.579 where: short stacking energy: -252.959 Base-Backbone interact. energy: 17.546 local terms energy: -431.724718 where: bonds (distance) C4'-P energy: -139.244 bonds (distance) P-C4' energy: -125.097 flat angles C4'-P-C4' energy: -114.338 flat angles P-C4'-P energy: -58.419 tors. eta vs tors. theta energy: 5.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -2900.362636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.362636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.362636 (E_RNA) where: Base-Base interactions energy: -1977.792 where: short stacking energy: -859.842 Base-Backbone interact. energy: -2.084 local terms energy: -920.486783 where: bonds (distance) C4'-P energy: -156.515 bonds (distance) P-C4' energy: -169.315 flat angles C4'-P-C4' energy: -192.912 flat angles P-C4'-P energy: -146.794 tors. eta vs tors. theta energy: -254.951 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: 2, replica: 8 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2784.550490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.550490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.550490 (E_RNA) where: Base-Base interactions energy: -1921.858 where: short stacking energy: -825.909 Base-Backbone interact. energy: -1.360 local terms energy: -861.332436 where: bonds (distance) C4'-P energy: -157.624 bonds (distance) P-C4' energy: -166.642 flat angles C4'-P-C4' energy: -174.983 flat angles P-C4'-P energy: -119.633 tors. eta vs tors. theta energy: -242.450 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: 3, replica: 4 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2652.366118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.366118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.366118 (E_RNA) where: Base-Base interactions energy: -1849.263 where: short stacking energy: -768.200 Base-Backbone interact. energy: -0.234 local terms energy: -802.868800 where: bonds (distance) C4'-P energy: -160.799 bonds (distance) P-C4' energy: -149.778 flat angles C4'-P-C4' energy: -181.217 flat angles P-C4'-P energy: -95.040 tors. eta vs tors. theta energy: -216.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -2552.337785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.337785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.337785 (E_RNA) where: Base-Base interactions energy: -1784.953 where: short stacking energy: -754.675 Base-Backbone interact. energy: -3.646 local terms energy: -763.738826 where: bonds (distance) C4'-P energy: -145.176 bonds (distance) P-C4' energy: -139.445 flat angles C4'-P-C4' energy: -168.901 flat angles P-C4'-P energy: -107.390 tors. eta vs tors. theta energy: -202.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -2397.280653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.280653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.280653 (E_RNA) where: Base-Base interactions energy: -1650.445 where: short stacking energy: -713.972 Base-Backbone interact. energy: -2.539 local terms energy: -744.295857 where: bonds (distance) C4'-P energy: -153.260 bonds (distance) P-C4' energy: -123.790 flat angles C4'-P-C4' energy: -167.268 flat angles P-C4'-P energy: -109.630 tors. eta vs tors. theta energy: -190.348 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: 6, replica: 5 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -2252.936777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.936777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.936777 (E_RNA) where: Base-Base interactions energy: -1542.857 where: short stacking energy: -685.307 Base-Backbone interact. energy: -1.253 local terms energy: -708.826491 where: bonds (distance) C4'-P energy: -142.744 bonds (distance) P-C4' energy: -141.788 flat angles C4'-P-C4' energy: -151.164 flat angles P-C4'-P energy: -97.356 tors. eta vs tors. theta energy: -175.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -2012.815731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.815731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.815731 (E_RNA) where: Base-Base interactions energy: -1354.514 where: short stacking energy: -606.875 Base-Backbone interact. energy: -3.243 local terms energy: -655.059177 where: bonds (distance) C4'-P energy: -140.373 bonds (distance) P-C4' energy: -113.734 flat angles C4'-P-C4' energy: -155.507 flat angles P-C4'-P energy: -102.560 tors. eta vs tors. theta energy: -142.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1533.218424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.218424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.218424 (E_RNA) where: Base-Base interactions energy: -980.133 where: short stacking energy: -467.470 Base-Backbone interact. energy: 0.528 local terms energy: -553.612809 where: bonds (distance) C4'-P energy: -130.790 bonds (distance) P-C4' energy: -128.713 flat angles C4'-P-C4' energy: -156.400 flat angles P-C4'-P energy: -74.890 tors. eta vs tors. theta energy: -62.819 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: 9, replica: 1 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -1077.604415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.604415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.604415 (E_RNA) where: Base-Base interactions energy: -601.272 where: short stacking energy: -348.404 Base-Backbone interact. energy: -2.382 local terms energy: -473.949453 where: bonds (distance) C4'-P energy: -128.476 bonds (distance) P-C4' energy: -131.261 flat angles C4'-P-C4' energy: -97.150 flat angles P-C4'-P energy: -77.883 tors. eta vs tors. theta energy: -39.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -866.922262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.922262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.922262 (E_RNA) where: Base-Base interactions energy: -459.578 where: short stacking energy: -245.638 Base-Backbone interact. energy: 0.818 local terms energy: -408.162173 where: bonds (distance) C4'-P energy: -110.265 bonds (distance) P-C4' energy: -130.067 flat angles C4'-P-C4' energy: -117.808 flat angles P-C4'-P energy: -63.967 tors. eta vs tors. theta energy: 13.945 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: 1, replica: 6 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -2872.661293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.661293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.661293 (E_RNA) where: Base-Base interactions energy: -2004.023 where: short stacking energy: -853.787 Base-Backbone interact. energy: -5.144 local terms energy: -863.494306 where: bonds (distance) C4'-P energy: -156.802 bonds (distance) P-C4' energy: -165.298 flat angles C4'-P-C4' energy: -176.656 flat angles P-C4'-P energy: -118.304 tors. eta vs tors. theta energy: -246.434 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: 177 Temperature: 0.950000 Total energy: -2785.033228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.033228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.033228 (E_RNA) where: Base-Base interactions energy: -1939.396 where: short stacking energy: -835.228 Base-Backbone interact. energy: 3.405 local terms energy: -849.042228 where: bonds (distance) C4'-P energy: -145.509 bonds (distance) P-C4' energy: -156.106 flat angles C4'-P-C4' energy: -178.851 flat angles P-C4'-P energy: -120.750 tors. eta vs tors. theta energy: -247.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -2626.927373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.927373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.927373 (E_RNA) where: Base-Base interactions energy: -1857.368 where: short stacking energy: -780.170 Base-Backbone interact. energy: -0.424 local terms energy: -769.135458 where: bonds (distance) C4'-P energy: -140.041 bonds (distance) P-C4' energy: -145.977 flat angles C4'-P-C4' energy: -166.479 flat angles P-C4'-P energy: -114.202 tors. eta vs tors. theta energy: -202.437 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: 4, replica: 10 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -2566.441993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.441993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.441993 (E_RNA) where: Base-Base interactions energy: -1808.784 where: short stacking energy: -734.144 Base-Backbone interact. energy: -1.231 local terms energy: -756.427912 where: bonds (distance) C4'-P energy: -142.082 bonds (distance) P-C4' energy: -155.115 flat angles C4'-P-C4' energy: -160.161 flat angles P-C4'-P energy: -93.716 tors. eta vs tors. theta energy: -205.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -2387.313839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.313839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.313839 (E_RNA) where: Base-Base interactions energy: -1629.970 where: short stacking energy: -722.070 Base-Backbone interact. energy: -2.694 local terms energy: -754.649589 where: bonds (distance) C4'-P energy: -142.494 bonds (distance) P-C4' energy: -148.237 flat angles C4'-P-C4' energy: -165.935 flat angles P-C4'-P energy: -105.780 tors. eta vs tors. theta energy: -192.204 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: 6, replica: 5 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -2211.060356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.060356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.060356 (E_RNA) where: Base-Base interactions energy: -1506.130 where: short stacking energy: -668.140 Base-Backbone interact. energy: 0.161 local terms energy: -705.091302 where: bonds (distance) C4'-P energy: -142.108 bonds (distance) P-C4' energy: -141.442 flat angles C4'-P-C4' energy: -155.225 flat angles P-C4'-P energy: -85.200 tors. eta vs tors. theta energy: -181.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -2011.432257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.432257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.432257 (E_RNA) where: Base-Base interactions energy: -1372.903 where: short stacking energy: -577.371 Base-Backbone interact. energy: 1.711 local terms energy: -640.239901 where: bonds (distance) C4'-P energy: -117.869 bonds (distance) P-C4' energy: -143.505 flat angles C4'-P-C4' energy: -143.513 flat angles P-C4'-P energy: -105.352 tors. eta vs tors. theta energy: -130.000 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: 8, replica: 2 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1573.781621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.781621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.781621 (E_RNA) where: Base-Base interactions energy: -1052.521 where: short stacking energy: -515.141 Base-Backbone interact. energy: 6.991 local terms energy: -528.251428 where: bonds (distance) C4'-P energy: -117.403 bonds (distance) P-C4' energy: -116.688 flat angles C4'-P-C4' energy: -142.560 flat angles P-C4'-P energy: -55.358 tors. eta vs tors. theta energy: -96.243 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: 9, replica: 1 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -1132.767862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.767862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.767862 (E_RNA) where: Base-Base interactions energy: -634.591 where: short stacking energy: -370.356 Base-Backbone interact. energy: 2.853 local terms energy: -501.030430 where: bonds (distance) C4'-P energy: -126.843 bonds (distance) P-C4' energy: -141.949 flat angles C4'-P-C4' energy: -122.838 flat angles P-C4'-P energy: -71.274 tors. eta vs tors. theta energy: -38.127 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: 10, replica: 3 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -892.170571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.170571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.170571 (E_RNA) where: Base-Base interactions energy: -453.237 where: short stacking energy: -279.742 Base-Backbone interact. energy: -1.268 local terms energy: -437.665100 where: bonds (distance) C4'-P energy: -125.760 bonds (distance) P-C4' energy: -120.828 flat angles C4'-P-C4' energy: -113.780 flat angles P-C4'-P energy: -70.730 tors. eta vs tors. theta energy: -6.568 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: 6 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -2865.481801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.481801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.481801 (E_RNA) where: Base-Base interactions energy: -1961.368 where: short stacking energy: -835.779 Base-Backbone interact. energy: -2.263 local terms energy: -901.850883 where: bonds (distance) C4'-P energy: -163.049 bonds (distance) P-C4' energy: -167.103 flat angles C4'-P-C4' energy: -195.514 flat angles P-C4'-P energy: -121.443 tors. eta vs tors. theta energy: -254.741 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: 2, replica: 8 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2750.935997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.935997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.935997 (E_RNA) where: Base-Base interactions energy: -1896.868 where: short stacking energy: -823.162 Base-Backbone interact. energy: -4.837 local terms energy: -849.231151 where: bonds (distance) C4'-P energy: -143.434 bonds (distance) P-C4' energy: -159.416 flat angles C4'-P-C4' energy: -183.502 flat angles P-C4'-P energy: -117.996 tors. eta vs tors. theta energy: -244.883 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: 4 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -2637.990709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.990709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.990709 (E_RNA) where: Base-Base interactions energy: -1844.181 where: short stacking energy: -769.245 Base-Backbone interact. energy: -0.934 local terms energy: -792.875265 where: bonds (distance) C4'-P energy: -154.054 bonds (distance) P-C4' energy: -157.070 flat angles C4'-P-C4' energy: -169.500 flat angles P-C4'-P energy: -106.665 tors. eta vs tors. theta energy: -205.587 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: 10 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -2563.179203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.179203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.179203 (E_RNA) where: Base-Base interactions energy: -1777.376 where: short stacking energy: -778.320 Base-Backbone interact. energy: -3.963 local terms energy: -781.839863 where: bonds (distance) C4'-P energy: -149.201 bonds (distance) P-C4' energy: -150.318 flat angles C4'-P-C4' energy: -160.189 flat angles P-C4'-P energy: -110.271 tors. eta vs tors. theta energy: -211.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -2374.738465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.738465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.738465 (E_RNA) where: Base-Base interactions energy: -1605.703 where: short stacking energy: -678.776 Base-Backbone interact. energy: 4.129 local terms energy: -773.164923 where: bonds (distance) C4'-P energy: -142.746 bonds (distance) P-C4' energy: -170.120 flat angles C4'-P-C4' energy: -154.240 flat angles P-C4'-P energy: -102.313 tors. eta vs tors. theta energy: -203.745 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: 6, replica: 5 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -2216.007496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.007496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.007496 (E_RNA) where: Base-Base interactions energy: -1539.975 where: short stacking energy: -661.774 Base-Backbone interact. energy: -1.282 local terms energy: -674.750260 where: bonds (distance) C4'-P energy: -138.700 bonds (distance) P-C4' energy: -138.640 flat angles C4'-P-C4' energy: -138.812 flat angles P-C4'-P energy: -87.141 tors. eta vs tors. theta energy: -171.457 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: 7, replica: 9 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1965.294805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.294805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.294805 (E_RNA) where: Base-Base interactions energy: -1329.679 where: short stacking energy: -588.133 Base-Backbone interact. energy: -3.179 local terms energy: -632.437079 where: bonds (distance) C4'-P energy: -147.628 bonds (distance) P-C4' energy: -124.927 flat angles C4'-P-C4' energy: -147.318 flat angles P-C4'-P energy: -67.893 tors. eta vs tors. theta energy: -144.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1598.884832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.884832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.884832 (E_RNA) where: Base-Base interactions energy: -1053.165 where: short stacking energy: -505.313 Base-Backbone interact. energy: 1.590 local terms energy: -547.309969 where: bonds (distance) C4'-P energy: -123.189 bonds (distance) P-C4' energy: -121.641 flat angles C4'-P-C4' energy: -128.840 flat angles P-C4'-P energy: -81.995 tors. eta vs tors. theta energy: -91.645 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: 9, replica: 1 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -1101.878601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.878601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.878601 (E_RNA) where: Base-Base interactions energy: -615.387 where: short stacking energy: -345.093 Base-Backbone interact. energy: -2.033 local terms energy: -484.458709 where: bonds (distance) C4'-P energy: -125.175 bonds (distance) P-C4' energy: -134.634 flat angles C4'-P-C4' energy: -110.920 flat angles P-C4'-P energy: -74.849 tors. eta vs tors. theta energy: -38.881 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: 3 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -892.456205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.456205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.456205 (E_RNA) where: Base-Base interactions energy: -455.110 where: short stacking energy: -269.495 Base-Backbone interact. energy: 2.719 local terms energy: -440.065109 where: bonds (distance) C4'-P energy: -125.346 bonds (distance) P-C4' energy: -143.625 flat angles C4'-P-C4' energy: -122.562 flat angles P-C4'-P energy: -54.605 tors. eta vs tors. theta energy: 6.073 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: 6 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -2888.436006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.436006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.436006 (E_RNA) where: Base-Base interactions energy: -1996.552 where: short stacking energy: -845.248 Base-Backbone interact. energy: 0.235 local terms energy: -892.118756 where: bonds (distance) C4'-P energy: -178.385 bonds (distance) P-C4' energy: -160.604 flat angles C4'-P-C4' energy: -194.212 flat angles P-C4'-P energy: -113.650 tors. eta vs tors. theta energy: -245.266 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: 2, replica: 8 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2751.990212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.990212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.990212 (E_RNA) where: Base-Base interactions energy: -1900.827 where: short stacking energy: -789.786 Base-Backbone interact. energy: -6.125 local terms energy: -845.037723 where: bonds (distance) C4'-P energy: -150.298 bonds (distance) P-C4' energy: -162.334 flat angles C4'-P-C4' energy: -184.287 flat angles P-C4'-P energy: -124.148 tors. eta vs tors. theta energy: -223.971 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: 3, replica: 4 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -2619.317129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.317129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.317129 (E_RNA) where: Base-Base interactions energy: -1831.591 where: short stacking energy: -733.443 Base-Backbone interact. energy: -2.288 local terms energy: -785.437929 where: bonds (distance) C4'-P energy: -146.347 bonds (distance) P-C4' energy: -134.595 flat angles C4'-P-C4' energy: -180.580 flat angles P-C4'-P energy: -117.175 tors. eta vs tors. theta energy: -206.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -2570.586237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.586237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.586237 (E_RNA) where: Base-Base interactions energy: -1793.537 where: short stacking energy: -770.549 Base-Backbone interact. energy: -0.093 local terms energy: -776.956096 where: bonds (distance) C4'-P energy: -140.554 bonds (distance) P-C4' energy: -152.961 flat angles C4'-P-C4' energy: -167.644 flat angles P-C4'-P energy: -97.702 tors. eta vs tors. theta energy: -218.096 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: 7 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -2383.732335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.732335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.732335 (E_RNA) where: Base-Base interactions energy: -1619.390 where: short stacking energy: -735.696 Base-Backbone interact. energy: -2.364 local terms energy: -761.978559 where: bonds (distance) C4'-P energy: -151.825 bonds (distance) P-C4' energy: -131.018 flat angles C4'-P-C4' energy: -166.600 flat angles P-C4'-P energy: -119.145 tors. eta vs tors. theta energy: -193.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -2197.052160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.052160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.052160 (E_RNA) where: Base-Base interactions energy: -1471.982 where: short stacking energy: -621.964 Base-Backbone interact. energy: -3.817 local terms energy: -721.253192 where: bonds (distance) C4'-P energy: -144.669 bonds (distance) P-C4' energy: -147.832 flat angles C4'-P-C4' energy: -151.629 flat angles P-C4'-P energy: -101.397 tors. eta vs tors. theta energy: -175.727 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: 179 Temperature: 1.200000 Total energy: -1995.403181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.403181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.403181 (E_RNA) where: Base-Base interactions energy: -1309.197 where: short stacking energy: -581.725 Base-Backbone interact. energy: -0.127 local terms energy: -686.079781 where: bonds (distance) C4'-P energy: -147.959 bonds (distance) P-C4' energy: -134.694 flat angles C4'-P-C4' energy: -153.180 flat angles P-C4'-P energy: -99.793 tors. eta vs tors. theta energy: -150.454 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: 8, replica: 2 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1637.380832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.380832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.380832 (E_RNA) where: Base-Base interactions energy: -1042.814 where: short stacking energy: -492.194 Base-Backbone interact. energy: -4.410 local terms energy: -590.156452 where: bonds (distance) C4'-P energy: -124.252 bonds (distance) P-C4' energy: -142.053 flat angles C4'-P-C4' energy: -130.122 flat angles P-C4'-P energy: -101.271 tors. eta vs tors. theta energy: -92.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -1120.631520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.631520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.631520 (E_RNA) where: Base-Base interactions energy: -679.529 where: short stacking energy: -357.990 Base-Backbone interact. energy: 8.796 local terms energy: -449.898899 where: bonds (distance) C4'-P energy: -111.609 bonds (distance) P-C4' energy: -100.898 flat angles C4'-P-C4' energy: -119.464 flat angles P-C4'-P energy: -80.464 tors. eta vs tors. theta energy: -37.464 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: 10, replica: 3 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -850.124749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.124749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.124749 (E_RNA) where: Base-Base interactions energy: -417.309 where: short stacking energy: -229.658 Base-Backbone interact. energy: 6.531 local terms energy: -439.346185 where: bonds (distance) C4'-P energy: -152.786 bonds (distance) P-C4' energy: -136.770 flat angles C4'-P-C4' energy: -109.135 flat angles P-C4'-P energy: -54.344 tors. eta vs tors. theta energy: 13.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -2876.407361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.407361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.407361 (E_RNA) where: Base-Base interactions energy: -1997.719 where: short stacking energy: -877.018 Base-Backbone interact. energy: -1.513 local terms energy: -877.175399 where: bonds (distance) C4'-P energy: -163.715 bonds (distance) P-C4' energy: -167.619 flat angles C4'-P-C4' energy: -183.234 flat angles P-C4'-P energy: -117.391 tors. eta vs tors. theta energy: -245.217 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: 2, replica: 8 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2753.102998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.102998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.102998 (E_RNA) where: Base-Base interactions energy: -1913.176 where: short stacking energy: -820.819 Base-Backbone interact. energy: -6.688 local terms energy: -833.239352 where: bonds (distance) C4'-P energy: -150.010 bonds (distance) P-C4' energy: -151.251 flat angles C4'-P-C4' energy: -190.098 flat angles P-C4'-P energy: -109.164 tors. eta vs tors. theta energy: -232.716 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: 3, replica: 10 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -2617.972411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.972411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.972411 (E_RNA) where: Base-Base interactions energy: -1813.688 where: short stacking energy: -792.253 Base-Backbone interact. energy: -1.228 local terms energy: -803.056680 where: bonds (distance) C4'-P energy: -164.864 bonds (distance) P-C4' energy: -147.848 flat angles C4'-P-C4' energy: -159.488 flat angles P-C4'-P energy: -120.384 tors. eta vs tors. theta energy: -210.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -2557.862652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.862652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.862652 (E_RNA) where: Base-Base interactions energy: -1778.071 where: short stacking energy: -732.510 Base-Backbone interact. energy: -2.053 local terms energy: -777.738584 where: bonds (distance) C4'-P energy: -140.169 bonds (distance) P-C4' energy: -150.639 flat angles C4'-P-C4' energy: -174.891 flat angles P-C4'-P energy: -113.888 tors. eta vs tors. theta energy: -198.152 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: 7 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -2359.270457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.270457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.270457 (E_RNA) where: Base-Base interactions energy: -1610.881 where: short stacking energy: -740.397 Base-Backbone interact. energy: -3.035 local terms energy: -745.354159 where: bonds (distance) C4'-P energy: -125.359 bonds (distance) P-C4' energy: -152.977 flat angles C4'-P-C4' energy: -163.666 flat angles P-C4'-P energy: -98.225 tors. eta vs tors. theta energy: -205.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -2225.471960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.471960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.471960 (E_RNA) where: Base-Base interactions energy: -1527.925 where: short stacking energy: -661.115 Base-Backbone interact. energy: -2.680 local terms energy: -694.867483 where: bonds (distance) C4'-P energy: -139.003 bonds (distance) P-C4' energy: -143.864 flat angles C4'-P-C4' energy: -154.579 flat angles P-C4'-P energy: -89.336 tors. eta vs tors. theta energy: -168.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1997.868222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.868222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.868222 (E_RNA) where: Base-Base interactions energy: -1326.652 where: short stacking energy: -563.352 Base-Backbone interact. energy: -0.980 local terms energy: -670.236571 where: bonds (distance) C4'-P energy: -148.742 bonds (distance) P-C4' energy: -129.728 flat angles C4'-P-C4' energy: -143.539 flat angles P-C4'-P energy: -119.174 tors. eta vs tors. theta energy: -129.054 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: 8, replica: 2 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1584.969068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.969068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.969068 (E_RNA) where: Base-Base interactions energy: -1013.090 where: short stacking energy: -448.559 Base-Backbone interact. energy: -1.311 local terms energy: -570.567691 where: bonds (distance) C4'-P energy: -131.616 bonds (distance) P-C4' energy: -129.906 flat angles C4'-P-C4' energy: -128.881 flat angles P-C4'-P energy: -86.232 tors. eta vs tors. theta energy: -93.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -1166.808578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.808578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.808578 (E_RNA) where: Base-Base interactions energy: -676.466 where: short stacking energy: -343.506 Base-Backbone interact. energy: 1.772 local terms energy: -492.114503 where: bonds (distance) C4'-P energy: -119.930 bonds (distance) P-C4' energy: -141.510 flat angles C4'-P-C4' energy: -124.394 flat angles P-C4'-P energy: -70.074 tors. eta vs tors. theta energy: -36.206 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: 3 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -782.150461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.150461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.150461 (E_RNA) where: Base-Base interactions energy: -346.198 where: short stacking energy: -204.967 Base-Backbone interact. energy: 4.006 local terms energy: -439.958923 where: bonds (distance) C4'-P energy: -125.930 bonds (distance) P-C4' energy: -134.046 flat angles C4'-P-C4' energy: -104.737 flat angles P-C4'-P energy: -74.840 tors. eta vs tors. theta energy: -0.406 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: 1, replica: 6 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -2885.256586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.256586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.256586 (E_RNA) where: Base-Base interactions energy: -1976.727 where: short stacking energy: -861.344 Base-Backbone interact. energy: -6.242 local terms energy: -902.288027 where: bonds (distance) C4'-P energy: -166.735 bonds (distance) P-C4' energy: -175.096 flat angles C4'-P-C4' energy: -174.592 flat angles P-C4'-P energy: -126.415 tors. eta vs tors. theta energy: -259.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -2768.802423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.802423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.802423 (E_RNA) where: Base-Base interactions energy: -1955.574 where: short stacking energy: -818.914 Base-Backbone interact. energy: -4.590 local terms energy: -808.638723 where: bonds (distance) C4'-P energy: -157.739 bonds (distance) P-C4' energy: -136.756 flat angles C4'-P-C4' energy: -171.588 flat angles P-C4'-P energy: -109.258 tors. eta vs tors. theta energy: -233.299 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: 3, replica: 10 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -2583.884055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.884055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.884055 (E_RNA) where: Base-Base interactions energy: -1762.742 where: short stacking energy: -785.928 Base-Backbone interact. energy: -5.531 local terms energy: -815.610618 where: bonds (distance) C4'-P energy: -170.558 bonds (distance) P-C4' energy: -150.093 flat angles C4'-P-C4' energy: -175.337 flat angles P-C4'-P energy: -104.419 tors. eta vs tors. theta energy: -215.205 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: 7 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -2467.680804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.680804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.680804 (E_RNA) where: Base-Base interactions energy: -1690.951 where: short stacking energy: -765.340 Base-Backbone interact. energy: -0.529 local terms energy: -776.200762 where: bonds (distance) C4'-P energy: -135.919 bonds (distance) P-C4' energy: -154.165 flat angles C4'-P-C4' energy: -169.725 flat angles P-C4'-P energy: -119.175 tors. eta vs tors. theta energy: -197.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -2488.625565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.625565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.625565 (E_RNA) where: Base-Base interactions energy: -1725.582 where: short stacking energy: -707.026 Base-Backbone interact. energy: -4.340 local terms energy: -758.703700 where: bonds (distance) C4'-P energy: -135.575 bonds (distance) P-C4' energy: -146.326 flat angles C4'-P-C4' energy: -169.386 flat angles P-C4'-P energy: -111.687 tors. eta vs tors. theta energy: -195.729 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: 6, replica: 5 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -2191.505701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.505701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.505701 (E_RNA) where: Base-Base interactions energy: -1471.640 where: short stacking energy: -634.913 Base-Backbone interact. energy: -5.103 local terms energy: -714.761839 where: bonds (distance) C4'-P energy: -131.147 bonds (distance) P-C4' energy: -154.977 flat angles C4'-P-C4' energy: -160.825 flat angles P-C4'-P energy: -101.786 tors. eta vs tors. theta energy: -166.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1992.542654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.542654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.542654 (E_RNA) where: Base-Base interactions energy: -1355.787 where: short stacking energy: -612.864 Base-Backbone interact. energy: -2.174 local terms energy: -634.581102 where: bonds (distance) C4'-P energy: -139.167 bonds (distance) P-C4' energy: -133.457 flat angles C4'-P-C4' energy: -154.751 flat angles P-C4'-P energy: -76.563 tors. eta vs tors. theta energy: -130.643 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: 2 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1598.271749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.271749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.271749 (E_RNA) where: Base-Base interactions energy: -995.955 where: short stacking energy: -425.506 Base-Backbone interact. energy: -0.905 local terms energy: -601.411152 where: bonds (distance) C4'-P energy: -151.263 bonds (distance) P-C4' energy: -148.932 flat angles C4'-P-C4' energy: -153.133 flat angles P-C4'-P energy: -70.935 tors. eta vs tors. theta energy: -77.148 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: 9, replica: 1 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -1190.583349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.583349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.583349 (E_RNA) where: Base-Base interactions energy: -704.865 where: short stacking energy: -367.097 Base-Backbone interact. energy: -1.299 local terms energy: -484.418970 where: bonds (distance) C4'-P energy: -118.882 bonds (distance) P-C4' energy: -133.585 flat angles C4'-P-C4' energy: -96.367 flat angles P-C4'-P energy: -88.837 tors. eta vs tors. theta energy: -46.748 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: 10, replica: 3 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -699.439125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.439125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.439125 (E_RNA) where: Base-Base interactions energy: -287.761 where: short stacking energy: -210.945 Base-Backbone interact. energy: -1.479 local terms energy: -410.199649 where: bonds (distance) C4'-P energy: -118.032 bonds (distance) P-C4' energy: -125.941 flat angles C4'-P-C4' energy: -122.276 flat angles P-C4'-P energy: -50.354 tors. eta vs tors. theta energy: 6.402 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: 6 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -2887.323999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.323999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.323999 (E_RNA) where: Base-Base interactions energy: -2002.590 where: short stacking energy: -864.238 Base-Backbone interact. energy: -0.598 local terms energy: -884.135707 where: bonds (distance) C4'-P energy: -166.123 bonds (distance) P-C4' energy: -160.810 flat angles C4'-P-C4' energy: -180.995 flat angles P-C4'-P energy: -130.231 tors. eta vs tors. theta energy: -245.977 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: 2, replica: 8 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2781.538237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.538237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.538237 (E_RNA) where: Base-Base interactions energy: -1911.575 where: short stacking energy: -815.377 Base-Backbone interact. energy: -5.335 local terms energy: -864.628375 where: bonds (distance) C4'-P energy: -165.787 bonds (distance) P-C4' energy: -164.378 flat angles C4'-P-C4' energy: -173.756 flat angles P-C4'-P energy: -133.388 tors. eta vs tors. theta energy: -227.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -2620.542570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.542570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.542570 (E_RNA) where: Base-Base interactions energy: -1786.977 where: short stacking energy: -808.548 Base-Backbone interact. energy: -3.522 local terms energy: -830.044308 where: bonds (distance) C4'-P energy: -156.296 bonds (distance) P-C4' energy: -146.938 flat angles C4'-P-C4' energy: -183.292 flat angles P-C4'-P energy: -122.016 tors. eta vs tors. theta energy: -221.502 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: 4, replica: 7 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -2476.480818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.480818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.480818 (E_RNA) where: Base-Base interactions energy: -1705.716 where: short stacking energy: -755.085 Base-Backbone interact. energy: -0.051 local terms energy: -770.714318 where: bonds (distance) C4'-P energy: -146.823 bonds (distance) P-C4' energy: -155.578 flat angles C4'-P-C4' energy: -160.382 flat angles P-C4'-P energy: -104.616 tors. eta vs tors. theta energy: -203.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -2438.521746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.521746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.521746 (E_RNA) where: Base-Base interactions energy: -1720.034 where: short stacking energy: -701.368 Base-Backbone interact. energy: 8.932 local terms energy: -727.420027 where: bonds (distance) C4'-P energy: -144.491 bonds (distance) P-C4' energy: -137.951 flat angles C4'-P-C4' energy: -152.574 flat angles P-C4'-P energy: -112.599 tors. eta vs tors. theta energy: -179.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -2257.650951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.650951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.650951 (E_RNA) where: Base-Base interactions energy: -1528.974 where: short stacking energy: -663.401 Base-Backbone interact. energy: -1.074 local terms energy: -727.603075 where: bonds (distance) C4'-P energy: -124.305 bonds (distance) P-C4' energy: -161.932 flat angles C4'-P-C4' energy: -162.035 flat angles P-C4'-P energy: -102.443 tors. eta vs tors. theta energy: -176.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1957.769890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.769890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.769890 (E_RNA) where: Base-Base interactions energy: -1330.587 where: short stacking energy: -565.665 Base-Backbone interact. energy: -0.300 local terms energy: -626.883215 where: bonds (distance) C4'-P energy: -113.876 bonds (distance) P-C4' energy: -155.758 flat angles C4'-P-C4' energy: -137.453 flat angles P-C4'-P energy: -89.920 tors. eta vs tors. theta energy: -129.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1675.570504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.570504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.570504 (E_RNA) where: Base-Base interactions energy: -1091.987 where: short stacking energy: -475.029 Base-Backbone interact. energy: -1.574 local terms energy: -582.010178 where: bonds (distance) C4'-P energy: -126.205 bonds (distance) P-C4' energy: -142.660 flat angles C4'-P-C4' energy: -148.553 flat angles P-C4'-P energy: -85.707 tors. eta vs tors. theta energy: -78.885 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: 9, replica: 1 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -1205.828315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.828315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.828315 (E_RNA) where: Base-Base interactions energy: -723.821 where: short stacking energy: -356.637 Base-Backbone interact. energy: 3.396 local terms energy: -485.403562 where: bonds (distance) C4'-P energy: -144.060 bonds (distance) P-C4' energy: -121.937 flat angles C4'-P-C4' energy: -126.917 flat angles P-C4'-P energy: -55.372 tors. eta vs tors. theta energy: -37.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -757.007681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.007681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.007681 (E_RNA) where: Base-Base interactions energy: -346.354 where: short stacking energy: -204.036 Base-Backbone interact. energy: 2.537 local terms energy: -413.190105 where: bonds (distance) C4'-P energy: -133.653 bonds (distance) P-C4' energy: -126.951 flat angles C4'-P-C4' energy: -99.294 flat angles P-C4'-P energy: -56.704 tors. eta vs tors. theta energy: 3.412 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: 1, replica: 6 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -2879.267911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.267911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.267911 (E_RNA) where: Base-Base interactions energy: -2000.830 where: short stacking energy: -842.602 Base-Backbone interact. energy: -3.682 local terms energy: -874.755994 where: bonds (distance) C4'-P energy: -166.438 bonds (distance) P-C4' energy: -153.540 flat angles C4'-P-C4' energy: -176.514 flat angles P-C4'-P energy: -130.825 tors. eta vs tors. theta energy: -247.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -2774.496830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.496830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.496830 (E_RNA) where: Base-Base interactions energy: -1902.979 where: short stacking energy: -795.757 Base-Backbone interact. energy: -4.822 local terms energy: -866.696152 where: bonds (distance) C4'-P energy: -154.817 bonds (distance) P-C4' energy: -155.132 flat angles C4'-P-C4' energy: -191.948 flat angles P-C4'-P energy: -122.496 tors. eta vs tors. theta energy: -242.303 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: 10 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -2620.381838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.381838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.381838 (E_RNA) where: Base-Base interactions energy: -1827.751 where: short stacking energy: -815.406 Base-Backbone interact. energy: -1.739 local terms energy: -790.892005 where: bonds (distance) C4'-P energy: -139.613 bonds (distance) P-C4' energy: -148.213 flat angles C4'-P-C4' energy: -167.180 flat angles P-C4'-P energy: -116.161 tors. eta vs tors. theta energy: -219.724 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: 4, replica: 7 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -2528.402099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.402099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.402099 (E_RNA) where: Base-Base interactions energy: -1732.853 where: short stacking energy: -746.200 Base-Backbone interact. energy: 0.827 local terms energy: -796.375251 where: bonds (distance) C4'-P energy: -140.112 bonds (distance) P-C4' energy: -158.162 flat angles C4'-P-C4' energy: -179.593 flat angles P-C4'-P energy: -107.893 tors. eta vs tors. theta energy: -210.615 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: 183 Temperature: 1.100000 Total energy: -2405.387833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.387833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.387833 (E_RNA) where: Base-Base interactions energy: -1631.154 where: short stacking energy: -694.516 Base-Backbone interact. energy: -0.168 local terms energy: -774.065501 where: bonds (distance) C4'-P energy: -154.334 bonds (distance) P-C4' energy: -168.270 flat angles C4'-P-C4' energy: -175.601 flat angles P-C4'-P energy: -94.824 tors. eta vs tors. theta energy: -181.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -2253.659972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.659972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.659972 (E_RNA) where: Base-Base interactions energy: -1536.280 where: short stacking energy: -683.712 Base-Backbone interact. energy: -0.986 local terms energy: -716.393850 where: bonds (distance) C4'-P energy: -129.400 bonds (distance) P-C4' energy: -139.416 flat angles C4'-P-C4' energy: -168.410 flat angles P-C4'-P energy: -105.759 tors. eta vs tors. theta energy: -173.409 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: 9 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1981.029018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.029018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.029018 (E_RNA) where: Base-Base interactions energy: -1358.171 where: short stacking energy: -600.301 Base-Backbone interact. energy: 2.281 local terms energy: -625.139541 where: bonds (distance) C4'-P energy: -126.228 bonds (distance) P-C4' energy: -143.844 flat angles C4'-P-C4' energy: -143.888 flat angles P-C4'-P energy: -81.968 tors. eta vs tors. theta energy: -129.212 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: 8, replica: 2 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1652.113436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.113436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.113436 (E_RNA) where: Base-Base interactions energy: -1069.389 where: short stacking energy: -487.634 Base-Backbone interact. energy: -4.719 local terms energy: -578.005817 where: bonds (distance) C4'-P energy: -122.699 bonds (distance) P-C4' energy: -159.589 flat angles C4'-P-C4' energy: -121.232 flat angles P-C4'-P energy: -70.006 tors. eta vs tors. theta energy: -104.480 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: 1 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -1260.999539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.999539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.999539 (E_RNA) where: Base-Base interactions energy: -754.451 where: short stacking energy: -358.290 Base-Backbone interact. energy: -2.320 local terms energy: -504.229271 where: bonds (distance) C4'-P energy: -126.992 bonds (distance) P-C4' energy: -121.726 flat angles C4'-P-C4' energy: -131.639 flat angles P-C4'-P energy: -89.939 tors. eta vs tors. theta energy: -33.933 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: 10, replica: 3 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -706.422424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.422424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.422424 (E_RNA) where: Base-Base interactions energy: -288.685 where: short stacking energy: -201.315 Base-Backbone interact. energy: 10.873 local terms energy: -428.609982 where: bonds (distance) C4'-P energy: -123.745 bonds (distance) P-C4' energy: -132.022 flat angles C4'-P-C4' energy: -114.485 flat angles P-C4'-P energy: -65.271 tors. eta vs tors. theta energy: 6.913 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: 1, replica: 6 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -2894.425007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.425007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.425007 (E_RNA) where: Base-Base interactions energy: -1989.604 where: short stacking energy: -867.575 Base-Backbone interact. energy: -0.877 local terms energy: -903.944089 where: bonds (distance) C4'-P energy: -165.078 bonds (distance) P-C4' energy: -156.244 flat angles C4'-P-C4' energy: -202.255 flat angles P-C4'-P energy: -123.366 tors. eta vs tors. theta energy: -257.000 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: 8 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -2758.754565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.754565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.754565 (E_RNA) where: Base-Base interactions energy: -1887.912 where: short stacking energy: -819.467 Base-Backbone interact. energy: -3.129 local terms energy: -867.713005 where: bonds (distance) C4'-P energy: -162.849 bonds (distance) P-C4' energy: -163.541 flat angles C4'-P-C4' energy: -181.146 flat angles P-C4'-P energy: -118.754 tors. eta vs tors. theta energy: -241.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -2612.894156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.894156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.894156 (E_RNA) where: Base-Base interactions energy: -1792.558 where: short stacking energy: -792.045 Base-Backbone interact. energy: -5.519 local terms energy: -814.816292 where: bonds (distance) C4'-P energy: -144.084 bonds (distance) P-C4' energy: -174.126 flat angles C4'-P-C4' energy: -181.042 flat angles P-C4'-P energy: -102.934 tors. eta vs tors. theta energy: -212.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -2526.327513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.327513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.327513 (E_RNA) where: Base-Base interactions energy: -1742.059 where: short stacking energy: -778.555 Base-Backbone interact. energy: 1.316 local terms energy: -785.584180 where: bonds (distance) C4'-P energy: -142.952 bonds (distance) P-C4' energy: -148.065 flat angles C4'-P-C4' energy: -169.343 flat angles P-C4'-P energy: -114.148 tors. eta vs tors. theta energy: -211.077 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: 4 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -2451.084697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.084697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.084697 (E_RNA) where: Base-Base interactions energy: -1724.616 where: short stacking energy: -715.014 Base-Backbone interact. energy: 0.601 local terms energy: -727.069509 where: bonds (distance) C4'-P energy: -109.066 bonds (distance) P-C4' energy: -160.931 flat angles C4'-P-C4' energy: -163.815 flat angles P-C4'-P energy: -101.317 tors. eta vs tors. theta energy: -191.940 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: 6, replica: 5 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -2237.503612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.503612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.503612 (E_RNA) where: Base-Base interactions energy: -1564.193 where: short stacking energy: -668.849 Base-Backbone interact. energy: 2.402 local terms energy: -675.712610 where: bonds (distance) C4'-P energy: -151.665 bonds (distance) P-C4' energy: -119.083 flat angles C4'-P-C4' energy: -149.165 flat angles P-C4'-P energy: -85.009 tors. eta vs tors. theta energy: -170.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1988.495087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.495087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.495087 (E_RNA) where: Base-Base interactions energy: -1364.678 where: short stacking energy: -607.547 Base-Backbone interact. energy: -2.055 local terms energy: -621.761947 where: bonds (distance) C4'-P energy: -130.867 bonds (distance) P-C4' energy: -141.330 flat angles C4'-P-C4' energy: -122.035 flat angles P-C4'-P energy: -104.412 tors. eta vs tors. theta energy: -123.117 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: 8, replica: 2 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1610.979225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.979225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.979225 (E_RNA) where: Base-Base interactions energy: -1036.519 where: short stacking energy: -480.402 Base-Backbone interact. energy: -4.182 local terms energy: -570.278690 where: bonds (distance) C4'-P energy: -132.251 bonds (distance) P-C4' energy: -123.069 flat angles C4'-P-C4' energy: -151.508 flat angles P-C4'-P energy: -66.932 tors. eta vs tors. theta energy: -96.519 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: 9, replica: 1 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -1267.373761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.373761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.373761 (E_RNA) where: Base-Base interactions energy: -779.063 where: short stacking energy: -356.324 Base-Backbone interact. energy: -0.654 local terms energy: -487.657238 where: bonds (distance) C4'-P energy: -109.184 bonds (distance) P-C4' energy: -132.689 flat angles C4'-P-C4' energy: -117.636 flat angles P-C4'-P energy: -81.617 tors. eta vs tors. theta energy: -46.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -699.755898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.755898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.755898 (E_RNA) where: Base-Base interactions energy: -310.207 where: short stacking energy: -207.826 Base-Backbone interact. energy: 2.004 local terms energy: -391.553231 where: bonds (distance) C4'-P energy: -111.717 bonds (distance) P-C4' energy: -140.696 flat angles C4'-P-C4' energy: -94.129 flat angles P-C4'-P energy: -67.080 tors. eta vs tors. theta energy: 22.070 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: 1, replica: 6 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -2871.814804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.814804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.814804 (E_RNA) where: Base-Base interactions energy: -2019.484 where: short stacking energy: -875.270 Base-Backbone interact. energy: -2.383 local terms energy: -849.947669 where: bonds (distance) C4'-P energy: -145.058 bonds (distance) P-C4' energy: -148.370 flat angles C4'-P-C4' energy: -180.887 flat angles P-C4'-P energy: -121.702 tors. eta vs tors. theta energy: -253.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2791.159114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.159114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.159114 (E_RNA) where: Base-Base interactions energy: -1922.647 where: short stacking energy: -827.768 Base-Backbone interact. energy: -5.794 local terms energy: -862.718135 where: bonds (distance) C4'-P energy: -155.142 bonds (distance) P-C4' energy: -182.662 flat angles C4'-P-C4' energy: -168.880 flat angles P-C4'-P energy: -113.544 tors. eta vs tors. theta energy: -242.490 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: 10 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -2654.330562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.330562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.330562 (E_RNA) where: Base-Base interactions energy: -1851.030 where: short stacking energy: -800.757 Base-Backbone interact. energy: -3.868 local terms energy: -799.432146 where: bonds (distance) C4'-P energy: -146.951 bonds (distance) P-C4' energy: -146.279 flat angles C4'-P-C4' energy: -176.069 flat angles P-C4'-P energy: -102.309 tors. eta vs tors. theta energy: -227.825 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: 4, replica: 7 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -2530.680281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.680281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.680281 (E_RNA) where: Base-Base interactions energy: -1723.291 where: short stacking energy: -765.100 Base-Backbone interact. energy: -5.824 local terms energy: -801.565421 where: bonds (distance) C4'-P energy: -148.378 bonds (distance) P-C4' energy: -147.858 flat angles C4'-P-C4' energy: -174.046 flat angles P-C4'-P energy: -120.964 tors. eta vs tors. theta energy: -210.319 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: 4 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -2359.512513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.512513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.512513 (E_RNA) where: Base-Base interactions energy: -1597.850 where: short stacking energy: -682.229 Base-Backbone interact. energy: -0.612 local terms energy: -761.049989 where: bonds (distance) C4'-P energy: -139.562 bonds (distance) P-C4' energy: -153.652 flat angles C4'-P-C4' energy: -176.553 flat angles P-C4'-P energy: -97.602 tors. eta vs tors. theta energy: -193.681 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: 6, replica: 5 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -2283.089618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.089618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.089618 (E_RNA) where: Base-Base interactions energy: -1543.199 where: short stacking energy: -651.733 Base-Backbone interact. energy: -1.463 local terms energy: -738.427549 where: bonds (distance) C4'-P energy: -121.220 bonds (distance) P-C4' energy: -156.529 flat angles C4'-P-C4' energy: -161.349 flat angles P-C4'-P energy: -119.872 tors. eta vs tors. theta energy: -179.457 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: 7, replica: 9 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1986.611398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.611398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.611398 (E_RNA) where: Base-Base interactions energy: -1352.771 where: short stacking energy: -590.257 Base-Backbone interact. energy: -1.425 local terms energy: -632.415660 where: bonds (distance) C4'-P energy: -120.961 bonds (distance) P-C4' energy: -122.802 flat angles C4'-P-C4' energy: -159.519 flat angles P-C4'-P energy: -93.787 tors. eta vs tors. theta energy: -135.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1605.684838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.684838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.684838 (E_RNA) where: Base-Base interactions energy: -1026.077 where: short stacking energy: -440.285 Base-Backbone interact. energy: -3.593 local terms energy: -576.014946 where: bonds (distance) C4'-P energy: -127.140 bonds (distance) P-C4' energy: -136.688 flat angles C4'-P-C4' energy: -132.074 flat angles P-C4'-P energy: -89.940 tors. eta vs tors. theta energy: -90.173 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: 9, replica: 1 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -1238.124803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.124803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.124803 (E_RNA) where: Base-Base interactions energy: -747.801 where: short stacking energy: -360.436 Base-Backbone interact. energy: -4.162 local terms energy: -486.162119 where: bonds (distance) C4'-P energy: -142.193 bonds (distance) P-C4' energy: -98.660 flat angles C4'-P-C4' energy: -135.180 flat angles P-C4'-P energy: -52.778 tors. eta vs tors. theta energy: -57.351 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: 3 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -808.759768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.759768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.759768 (E_RNA) where: Base-Base interactions energy: -386.110 where: short stacking energy: -231.885 Base-Backbone interact. energy: 0.358 local terms energy: -423.006782 where: bonds (distance) C4'-P energy: -114.352 bonds (distance) P-C4' energy: -121.709 flat angles C4'-P-C4' energy: -108.285 flat angles P-C4'-P energy: -85.054 tors. eta vs tors. theta energy: 6.394 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: 8 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -2894.238905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.238905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.238905 (E_RNA) where: Base-Base interactions energy: -2007.899 where: short stacking energy: -857.623 Base-Backbone interact. energy: -4.773 local terms energy: -881.566692 where: bonds (distance) C4'-P energy: -161.049 bonds (distance) P-C4' energy: -150.536 flat angles C4'-P-C4' energy: -191.920 flat angles P-C4'-P energy: -131.895 tors. eta vs tors. theta energy: -246.166 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: 2, replica: 6 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2816.142521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.142521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.142521 (E_RNA) where: Base-Base interactions energy: -1938.727 where: short stacking energy: -841.692 Base-Backbone interact. energy: 3.283 local terms energy: -880.697957 where: bonds (distance) C4'-P energy: -148.427 bonds (distance) P-C4' energy: -175.172 flat angles C4'-P-C4' energy: -182.250 flat angles P-C4'-P energy: -119.726 tors. eta vs tors. theta energy: -255.124 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: 10 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -2649.183516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.183516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.183516 (E_RNA) where: Base-Base interactions energy: -1832.558 where: short stacking energy: -784.895 Base-Backbone interact. energy: -2.333 local terms energy: -814.292066 where: bonds (distance) C4'-P energy: -161.365 bonds (distance) P-C4' energy: -155.839 flat angles C4'-P-C4' energy: -175.564 flat angles P-C4'-P energy: -104.645 tors. eta vs tors. theta energy: -216.879 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: 7 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -2551.103656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.103656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.103656 (E_RNA) where: Base-Base interactions energy: -1751.857 where: short stacking energy: -766.112 Base-Backbone interact. energy: -4.709 local terms energy: -794.537565 where: bonds (distance) C4'-P energy: -137.511 bonds (distance) P-C4' energy: -150.176 flat angles C4'-P-C4' energy: -177.394 flat angles P-C4'-P energy: -112.843 tors. eta vs tors. theta energy: -216.614 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: 186 Temperature: 1.100000 Total energy: -2389.666551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.666551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.666551 (E_RNA) where: Base-Base interactions energy: -1629.739 where: short stacking energy: -720.561 Base-Backbone interact. energy: 0.229 local terms energy: -760.156001 where: bonds (distance) C4'-P energy: -149.434 bonds (distance) P-C4' energy: -149.760 flat angles C4'-P-C4' energy: -166.200 flat angles P-C4'-P energy: -102.090 tors. eta vs tors. theta energy: -192.673 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: 5 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -2268.878039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.878039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.878039 (E_RNA) where: Base-Base interactions energy: -1594.390 where: short stacking energy: -680.355 Base-Backbone interact. energy: 0.888 local terms energy: -675.375105 where: bonds (distance) C4'-P energy: -145.961 bonds (distance) P-C4' energy: -114.094 flat angles C4'-P-C4' energy: -152.551 flat angles P-C4'-P energy: -99.657 tors. eta vs tors. theta energy: -163.113 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: 9 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -2058.356952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.356952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.356952 (E_RNA) where: Base-Base interactions energy: -1439.137 where: short stacking energy: -641.710 Base-Backbone interact. energy: -1.099 local terms energy: -618.120227 where: bonds (distance) C4'-P energy: -127.276 bonds (distance) P-C4' energy: -134.470 flat angles C4'-P-C4' energy: -138.784 flat angles P-C4'-P energy: -91.073 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: 8, replica: 2 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1731.106717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.106717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.106717 (E_RNA) where: Base-Base interactions energy: -1133.450 where: short stacking energy: -514.679 Base-Backbone interact. energy: 0.326 local terms energy: -597.983556 where: bonds (distance) C4'-P energy: -112.266 bonds (distance) P-C4' energy: -135.349 flat angles C4'-P-C4' energy: -142.184 flat angles P-C4'-P energy: -90.579 tors. eta vs tors. theta energy: -117.606 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: 9, replica: 1 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -1116.579990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.579990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.579990 (E_RNA) where: Base-Base interactions energy: -628.193 where: short stacking energy: -340.813 Base-Backbone interact. energy: -3.489 local terms energy: -484.898523 where: bonds (distance) C4'-P energy: -146.159 bonds (distance) P-C4' energy: -120.863 flat angles C4'-P-C4' energy: -113.284 flat angles P-C4'-P energy: -76.033 tors. eta vs tors. theta energy: -28.559 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: 10, replica: 3 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -780.039548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.039548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.039548 (E_RNA) where: Base-Base interactions energy: -329.814 where: short stacking energy: -210.829 Base-Backbone interact. energy: 2.765 local terms energy: -452.990796 where: bonds (distance) C4'-P energy: -137.807 bonds (distance) P-C4' energy: -133.310 flat angles C4'-P-C4' energy: -127.314 flat angles P-C4'-P energy: -77.495 tors. eta vs tors. theta energy: 22.935 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: 1, replica: 8 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -2849.345311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.345311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.345311 (E_RNA) where: Base-Base interactions energy: -1967.695 where: short stacking energy: -861.834 Base-Backbone interact. energy: 0.115 local terms energy: -881.764990 where: bonds (distance) C4'-P energy: -153.817 bonds (distance) P-C4' energy: -168.527 flat angles C4'-P-C4' energy: -179.838 flat angles P-C4'-P energy: -134.439 tors. eta vs tors. theta energy: -245.144 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: 2, replica: 6 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2823.881806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.881806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.881806 (E_RNA) where: Base-Base interactions energy: -1953.142 where: short stacking energy: -839.012 Base-Backbone interact. energy: -2.123 local terms energy: -868.616854 where: bonds (distance) C4'-P energy: -177.986 bonds (distance) P-C4' energy: -148.853 flat angles C4'-P-C4' energy: -181.438 flat angles P-C4'-P energy: -112.119 tors. eta vs tors. theta energy: -248.221 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: 3, replica: 10 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2627.039458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.039458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.039458 (E_RNA) where: Base-Base interactions energy: -1823.410 where: short stacking energy: -787.725 Base-Backbone interact. energy: -7.749 local terms energy: -795.880337 where: bonds (distance) C4'-P energy: -154.585 bonds (distance) P-C4' energy: -145.934 flat angles C4'-P-C4' energy: -176.639 flat angles P-C4'-P energy: -98.746 tors. eta vs tors. theta energy: -219.977 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: 4, replica: 7 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -2559.000538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.000538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.000538 (E_RNA) where: Base-Base interactions energy: -1752.066 where: short stacking energy: -778.891 Base-Backbone interact. energy: -2.508 local terms energy: -804.427207 where: bonds (distance) C4'-P energy: -146.847 bonds (distance) P-C4' energy: -142.006 flat angles C4'-P-C4' energy: -171.704 flat angles P-C4'-P energy: -124.812 tors. eta vs tors. theta energy: -219.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -2401.292260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.292260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.292260 (E_RNA) where: Base-Base interactions energy: -1664.937 where: short stacking energy: -745.524 Base-Backbone interact. energy: -1.837 local terms energy: -734.518662 where: bonds (distance) C4'-P energy: -133.757 bonds (distance) P-C4' energy: -135.499 flat angles C4'-P-C4' energy: -162.480 flat angles P-C4'-P energy: -94.207 tors. eta vs tors. theta energy: -208.576 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: 6, replica: 5 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -2223.486447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.486447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.486447 (E_RNA) where: Base-Base interactions energy: -1522.729 where: short stacking energy: -643.203 Base-Backbone interact. energy: -4.059 local terms energy: -696.698486 where: bonds (distance) C4'-P energy: -132.438 bonds (distance) P-C4' energy: -161.272 flat angles C4'-P-C4' energy: -146.201 flat angles P-C4'-P energy: -88.329 tors. eta vs tors. theta energy: -168.459 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: 9 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -2030.501525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.501525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.501525 (E_RNA) where: Base-Base interactions energy: -1378.202 where: short stacking energy: -579.964 Base-Backbone interact. energy: -3.239 local terms energy: -649.060300 where: bonds (distance) C4'-P energy: -117.260 bonds (distance) P-C4' energy: -134.787 flat angles C4'-P-C4' energy: -151.555 flat angles P-C4'-P energy: -106.683 tors. eta vs tors. theta energy: -138.774 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: 8, replica: 2 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1687.363625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.363625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.363625 (E_RNA) where: Base-Base interactions energy: -1110.185 where: short stacking energy: -502.038 Base-Backbone interact. energy: -1.348 local terms energy: -575.830640 where: bonds (distance) C4'-P energy: -131.298 bonds (distance) P-C4' energy: -129.437 flat angles C4'-P-C4' energy: -139.598 flat angles P-C4'-P energy: -72.825 tors. eta vs tors. theta energy: -102.673 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: 9, replica: 1 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -1169.191734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.191734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.191734 (E_RNA) where: Base-Base interactions energy: -634.992 where: short stacking energy: -341.173 Base-Backbone interact. energy: 0.250 local terms energy: -534.449515 where: bonds (distance) C4'-P energy: -136.753 bonds (distance) P-C4' energy: -132.513 flat angles C4'-P-C4' energy: -155.032 flat angles P-C4'-P energy: -78.894 tors. eta vs tors. theta energy: -31.258 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: 3 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -739.875768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.875768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.875768 (E_RNA) where: Base-Base interactions energy: -297.544 where: short stacking energy: -230.959 Base-Backbone interact. energy: 0.454 local terms energy: -442.786242 where: bonds (distance) C4'-P energy: -110.065 bonds (distance) P-C4' energy: -160.978 flat angles C4'-P-C4' energy: -107.317 flat angles P-C4'-P energy: -65.762 tors. eta vs tors. theta energy: 1.335 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: 1, replica: 6 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -2874.965131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.965131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.965131 (E_RNA) where: Base-Base interactions energy: -1990.591 where: short stacking energy: -856.979 Base-Backbone interact. energy: -4.084 local terms energy: -880.290239 where: bonds (distance) C4'-P energy: -149.813 bonds (distance) P-C4' energy: -168.521 flat angles C4'-P-C4' energy: -188.710 flat angles P-C4'-P energy: -119.653 tors. eta vs tors. theta energy: -253.593 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: 2, replica: 8 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -2796.634464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.634464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.634464 (E_RNA) where: Base-Base interactions energy: -1949.495 where: short stacking energy: -833.099 Base-Backbone interact. energy: -3.457 local terms energy: -843.682836 where: bonds (distance) C4'-P energy: -162.128 bonds (distance) P-C4' energy: -148.323 flat angles C4'-P-C4' energy: -173.171 flat angles P-C4'-P energy: -127.989 tors. eta vs tors. theta energy: -232.071 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: 10 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -2626.014079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.014079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.014079 (E_RNA) where: Base-Base interactions energy: -1800.312 where: short stacking energy: -771.520 Base-Backbone interact. energy: -2.746 local terms energy: -822.955728 where: bonds (distance) C4'-P energy: -169.369 bonds (distance) P-C4' energy: -151.469 flat angles C4'-P-C4' energy: -166.709 flat angles P-C4'-P energy: -124.330 tors. eta vs tors. theta energy: -211.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -2570.147478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.147478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.147478 (E_RNA) where: Base-Base interactions energy: -1744.726 where: short stacking energy: -793.044 Base-Backbone interact. energy: 7.312 local terms energy: -832.734296 where: bonds (distance) C4'-P energy: -160.029 bonds (distance) P-C4' energy: -163.630 flat angles C4'-P-C4' energy: -179.254 flat angles P-C4'-P energy: -98.121 tors. eta vs tors. theta energy: -231.700 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: 4 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -2458.666748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.666748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.666748 (E_RNA) where: Base-Base interactions energy: -1719.244 where: short stacking energy: -758.137 Base-Backbone interact. energy: -4.789 local terms energy: -734.633874 where: bonds (distance) C4'-P energy: -136.409 bonds (distance) P-C4' energy: -131.267 flat angles C4'-P-C4' energy: -158.618 flat angles P-C4'-P energy: -100.438 tors. eta vs tors. theta energy: -207.902 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: 6, replica: 5 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -2197.981093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.981093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.981093 (E_RNA) where: Base-Base interactions energy: -1494.596 where: short stacking energy: -638.145 Base-Backbone interact. energy: -0.650 local terms energy: -702.735791 where: bonds (distance) C4'-P energy: -140.658 bonds (distance) P-C4' energy: -134.672 flat angles C4'-P-C4' energy: -160.748 flat angles P-C4'-P energy: -99.381 tors. eta vs tors. theta energy: -167.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -2028.577417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.577417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.577417 (E_RNA) where: Base-Base interactions energy: -1380.577 where: short stacking energy: -605.247 Base-Backbone interact. energy: -2.745 local terms energy: -645.255719 where: bonds (distance) C4'-P energy: -144.902 bonds (distance) P-C4' energy: -138.815 flat angles C4'-P-C4' energy: -135.122 flat angles P-C4'-P energy: -85.814 tors. eta vs tors. theta energy: -140.602 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: 8, replica: 2 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1649.703973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.703973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.703973 (E_RNA) where: Base-Base interactions energy: -1072.731 where: short stacking energy: -473.513 Base-Backbone interact. energy: -1.610 local terms energy: -575.363228 where: bonds (distance) C4'-P energy: -112.703 bonds (distance) P-C4' energy: -135.843 flat angles C4'-P-C4' energy: -147.681 flat angles P-C4'-P energy: -84.338 tors. eta vs tors. theta energy: -94.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -1141.763349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.763349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.763349 (E_RNA) where: Base-Base interactions energy: -670.657 where: short stacking energy: -371.102 Base-Backbone interact. energy: -1.744 local terms energy: -469.362827 where: bonds (distance) C4'-P energy: -131.774 bonds (distance) P-C4' energy: -100.098 flat angles C4'-P-C4' energy: -132.345 flat angles P-C4'-P energy: -63.817 tors. eta vs tors. theta energy: -41.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -755.046895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.046895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.046895 (E_RNA) where: Base-Base interactions energy: -288.622 where: short stacking energy: -200.226 Base-Backbone interact. energy: 7.059 local terms energy: -473.483858 where: bonds (distance) C4'-P energy: -134.123 bonds (distance) P-C4' energy: -144.733 flat angles C4'-P-C4' energy: -110.561 flat angles P-C4'-P energy: -92.376 tors. eta vs tors. theta energy: 8.309 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: 6 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -2916.568085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.568085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.568085 (E_RNA) where: Base-Base interactions energy: -2040.683 where: short stacking energy: -860.702 Base-Backbone interact. energy: -4.874 local terms energy: -871.010309 where: bonds (distance) C4'-P energy: -160.745 bonds (distance) P-C4' energy: -154.815 flat angles C4'-P-C4' energy: -184.710 flat angles P-C4'-P energy: -130.307 tors. eta vs tors. theta energy: -240.432 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: 2, replica: 8 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -2750.573996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.573996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.573996 (E_RNA) where: Base-Base interactions energy: -1874.092 where: short stacking energy: -836.589 Base-Backbone interact. energy: -6.015 local terms energy: -870.466750 where: bonds (distance) C4'-P energy: -161.648 bonds (distance) P-C4' energy: -170.019 flat angles C4'-P-C4' energy: -175.852 flat angles P-C4'-P energy: -130.137 tors. eta vs tors. theta energy: -232.810 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: 10 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -2616.045780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.045780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.045780 (E_RNA) where: Base-Base interactions energy: -1800.603 where: short stacking energy: -803.030 Base-Backbone interact. energy: -5.483 local terms energy: -809.959325 where: bonds (distance) C4'-P energy: -150.512 bonds (distance) P-C4' energy: -158.635 flat angles C4'-P-C4' energy: -167.000 flat angles P-C4'-P energy: -121.272 tors. eta vs tors. theta energy: -212.540 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: 4, replica: 7 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -2585.213452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.213452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.213452 (E_RNA) where: Base-Base interactions energy: -1779.463 where: short stacking energy: -791.129 Base-Backbone interact. energy: 0.297 local terms energy: -806.047666 where: bonds (distance) C4'-P energy: -145.506 bonds (distance) P-C4' energy: -151.138 flat angles C4'-P-C4' energy: -170.017 flat angles P-C4'-P energy: -113.980 tors. eta vs tors. theta energy: -225.405 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: 4 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -2479.626696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.626696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.626696 (E_RNA) where: Base-Base interactions energy: -1739.105 where: short stacking energy: -728.324 Base-Backbone interact. energy: -0.085 local terms energy: -740.435877 where: bonds (distance) C4'-P energy: -144.853 bonds (distance) P-C4' energy: -141.443 flat angles C4'-P-C4' energy: -164.966 flat angles P-C4'-P energy: -85.069 tors. eta vs tors. theta energy: -204.105 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: 6, replica: 9 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -2168.428349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.428349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.428349 (E_RNA) where: Base-Base interactions energy: -1495.572 where: short stacking energy: -678.975 Base-Backbone interact. energy: -0.918 local terms energy: -671.938463 where: bonds (distance) C4'-P energy: -127.894 bonds (distance) P-C4' energy: -128.502 flat angles C4'-P-C4' energy: -146.155 flat angles P-C4'-P energy: -105.792 tors. eta vs tors. theta energy: -163.596 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: 189 Temperature: 1.200000 Total energy: -2177.874966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.874966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.874966 (E_RNA) where: Base-Base interactions energy: -1475.336 where: short stacking energy: -645.335 Base-Backbone interact. energy: 2.921 local terms energy: -705.459372 where: bonds (distance) C4'-P energy: -119.787 bonds (distance) P-C4' energy: -140.248 flat angles C4'-P-C4' energy: -169.368 flat angles P-C4'-P energy: -98.037 tors. eta vs tors. theta energy: -178.018 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: 2 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1651.732022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.732022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.732022 (E_RNA) where: Base-Base interactions energy: -1069.395 where: short stacking energy: -494.726 Base-Backbone interact. energy: -2.462 local terms energy: -579.874285 where: bonds (distance) C4'-P energy: -128.413 bonds (distance) P-C4' energy: -146.273 flat angles C4'-P-C4' energy: -139.623 flat angles P-C4'-P energy: -72.870 tors. eta vs tors. theta energy: -92.695 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: 1 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -1131.137615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.137615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.137615 (E_RNA) where: Base-Base interactions energy: -618.822 where: short stacking energy: -325.445 Base-Backbone interact. energy: 2.510 local terms energy: -514.825788 where: bonds (distance) C4'-P energy: -130.884 bonds (distance) P-C4' energy: -148.817 flat angles C4'-P-C4' energy: -136.986 flat angles P-C4'-P energy: -65.109 tors. eta vs tors. theta energy: -33.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -705.103963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.103963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.103963 (E_RNA) where: Base-Base interactions energy: -289.857 where: short stacking energy: -185.866 Base-Backbone interact. energy: -1.610 local terms energy: -413.636572 where: bonds (distance) C4'-P energy: -132.459 bonds (distance) P-C4' energy: -122.037 flat angles C4'-P-C4' energy: -118.669 flat angles P-C4'-P energy: -61.182 tors. eta vs tors. theta energy: 20.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -2893.873868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.873868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.873868 (E_RNA) where: Base-Base interactions energy: -2009.098 where: short stacking energy: -879.181 Base-Backbone interact. energy: -4.425 local terms energy: -880.351358 where: bonds (distance) C4'-P energy: -153.253 bonds (distance) P-C4' energy: -158.402 flat angles C4'-P-C4' energy: -196.108 flat angles P-C4'-P energy: -122.332 tors. eta vs tors. theta energy: -250.256 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: 2, replica: 8 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2739.401461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.401461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.401461 (E_RNA) where: Base-Base interactions energy: -1889.156 where: short stacking energy: -802.662 Base-Backbone interact. energy: -2.385 local terms energy: -847.860823 where: bonds (distance) C4'-P energy: -163.697 bonds (distance) P-C4' energy: -154.200 flat angles C4'-P-C4' energy: -175.036 flat angles P-C4'-P energy: -125.319 tors. eta vs tors. theta energy: -229.609 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: 10 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2619.215505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.215505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.215505 (E_RNA) where: Base-Base interactions energy: -1816.985 where: short stacking energy: -798.242 Base-Backbone interact. energy: 2.414 local terms energy: -804.643728 where: bonds (distance) C4'-P energy: -153.397 bonds (distance) P-C4' energy: -151.828 flat angles C4'-P-C4' energy: -164.107 flat angles P-C4'-P energy: -119.485 tors. eta vs tors. theta energy: -215.827 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: 7 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -2533.717635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.717635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.717635 (E_RNA) where: Base-Base interactions energy: -1756.728 where: short stacking energy: -738.274 Base-Backbone interact. energy: -0.333 local terms energy: -776.656950 where: bonds (distance) C4'-P energy: -142.536 bonds (distance) P-C4' energy: -145.486 flat angles C4'-P-C4' energy: -175.855 flat angles P-C4'-P energy: -100.662 tors. eta vs tors. theta energy: -212.118 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: 4 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -2408.453757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.453757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.453757 (E_RNA) where: Base-Base interactions energy: -1636.354 where: short stacking energy: -701.290 Base-Backbone interact. energy: -6.359 local terms energy: -765.740647 where: bonds (distance) C4'-P energy: -149.628 bonds (distance) P-C4' energy: -158.190 flat angles C4'-P-C4' energy: -148.416 flat angles P-C4'-P energy: -110.970 tors. eta vs tors. theta energy: -198.536 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: 6, replica: 9 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -2123.378364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.378364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.378364 (E_RNA) where: Base-Base interactions energy: -1456.034 where: short stacking energy: -636.084 Base-Backbone interact. energy: -3.902 local terms energy: -663.442073 where: bonds (distance) C4'-P energy: -123.847 bonds (distance) P-C4' energy: -135.152 flat angles C4'-P-C4' energy: -163.800 flat angles P-C4'-P energy: -92.989 tors. eta vs tors. theta energy: -147.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -2151.015822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.015822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.015822 (E_RNA) where: Base-Base interactions energy: -1437.984 where: short stacking energy: -628.004 Base-Backbone interact. energy: -3.105 local terms energy: -709.927632 where: bonds (distance) C4'-P energy: -141.964 bonds (distance) P-C4' energy: -132.608 flat angles C4'-P-C4' energy: -169.061 flat angles P-C4'-P energy: -108.931 tors. eta vs tors. theta energy: -157.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1617.391101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.391101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.391101 (E_RNA) where: Base-Base interactions energy: -1053.617 where: short stacking energy: -461.507 Base-Backbone interact. energy: 5.238 local terms energy: -569.012420 where: bonds (distance) C4'-P energy: -130.302 bonds (distance) P-C4' energy: -131.372 flat angles C4'-P-C4' energy: -135.631 flat angles P-C4'-P energy: -85.208 tors. eta vs tors. theta energy: -86.499 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: 1 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -1113.110764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.110764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.110764 (E_RNA) where: Base-Base interactions energy: -633.064 where: short stacking energy: -336.908 Base-Backbone interact. energy: -1.141 local terms energy: -478.906161 where: bonds (distance) C4'-P energy: -136.699 bonds (distance) P-C4' energy: -129.965 flat angles C4'-P-C4' energy: -117.277 flat angles P-C4'-P energy: -59.135 tors. eta vs tors. theta energy: -35.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -709.936737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.936737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.936737 (E_RNA) where: Base-Base interactions energy: -302.191 where: short stacking energy: -196.814 Base-Backbone interact. energy: 13.598 local terms energy: -421.343736 where: bonds (distance) C4'-P energy: -144.990 bonds (distance) P-C4' energy: -138.503 flat angles C4'-P-C4' energy: -105.492 flat angles P-C4'-P energy: -74.971 tors. eta vs tors. theta energy: 42.612 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: 1, replica: 6 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -2938.734696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.734696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.734696 (E_RNA) where: Base-Base interactions energy: -2056.216 where: short stacking energy: -896.566 Base-Backbone interact. energy: -2.413 local terms energy: -880.106100 where: bonds (distance) C4'-P energy: -161.934 bonds (distance) P-C4' energy: -149.038 flat angles C4'-P-C4' energy: -185.937 flat angles P-C4'-P energy: -118.828 tors. eta vs tors. theta energy: -264.370 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: 2, replica: 8 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -2751.934396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.934396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.934396 (E_RNA) where: Base-Base interactions energy: -1923.243 where: short stacking energy: -792.341 Base-Backbone interact. energy: -1.154 local terms energy: -827.536794 where: bonds (distance) C4'-P energy: -162.079 bonds (distance) P-C4' energy: -157.784 flat angles C4'-P-C4' energy: -178.762 flat angles P-C4'-P energy: -108.109 tors. eta vs tors. theta energy: -220.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -2639.717222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.717222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.717222 (E_RNA) where: Base-Base interactions energy: -1823.605 where: short stacking energy: -797.433 Base-Backbone interact. energy: -1.127 local terms energy: -814.985730 where: bonds (distance) C4'-P energy: -151.201 bonds (distance) P-C4' energy: -155.718 flat angles C4'-P-C4' energy: -178.235 flat angles P-C4'-P energy: -106.014 tors. eta vs tors. theta energy: -223.818 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: 7 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -2497.373951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.373951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.373951 (E_RNA) where: Base-Base interactions energy: -1710.332 where: short stacking energy: -764.620 Base-Backbone interact. energy: 0.418 local terms energy: -787.460183 where: bonds (distance) C4'-P energy: -142.424 bonds (distance) P-C4' energy: -140.344 flat angles C4'-P-C4' energy: -168.657 flat angles P-C4'-P energy: -118.829 tors. eta vs tors. theta energy: -217.206 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: 5, replica: 4 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -2435.872711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.872711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.872711 (E_RNA) where: Base-Base interactions energy: -1686.119 where: short stacking energy: -700.303 Base-Backbone interact. energy: -2.619 local terms energy: -747.134911 where: bonds (distance) C4'-P energy: -117.035 bonds (distance) P-C4' energy: -156.646 flat angles C4'-P-C4' energy: -163.053 flat angles P-C4'-P energy: -110.893 tors. eta vs tors. theta energy: -199.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -2064.362448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.362448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.362448 (E_RNA) where: Base-Base interactions energy: -1404.138 where: short stacking energy: -623.219 Base-Backbone interact. energy: -1.329 local terms energy: -658.896069 where: bonds (distance) C4'-P energy: -130.327 bonds (distance) P-C4' energy: -165.778 flat angles C4'-P-C4' energy: -141.428 flat angles P-C4'-P energy: -80.582 tors. eta vs tors. theta energy: -140.781 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: 7, replica: 5 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -2090.256116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.256116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.256116 (E_RNA) where: Base-Base interactions energy: -1418.885 where: short stacking energy: -618.717 Base-Backbone interact. energy: 0.035 local terms energy: -671.406640 where: bonds (distance) C4'-P energy: -149.972 bonds (distance) P-C4' energy: -118.117 flat angles C4'-P-C4' energy: -163.503 flat angles P-C4'-P energy: -86.835 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: 8, replica: 2 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1613.886752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.886752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.886752 (E_RNA) where: Base-Base interactions energy: -1035.654 where: short stacking energy: -454.607 Base-Backbone interact. energy: -2.470 local terms energy: -575.762961 where: bonds (distance) C4'-P energy: -122.086 bonds (distance) P-C4' energy: -146.975 flat angles C4'-P-C4' energy: -124.528 flat angles P-C4'-P energy: -73.658 tors. eta vs tors. theta energy: -108.517 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: 9, replica: 1 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -1127.398948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.398948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.398948 (E_RNA) where: Base-Base interactions energy: -653.770 where: short stacking energy: -334.042 Base-Backbone interact. energy: -0.453 local terms energy: -473.175705 where: bonds (distance) C4'-P energy: -141.065 bonds (distance) P-C4' energy: -136.477 flat angles C4'-P-C4' energy: -100.486 flat angles P-C4'-P energy: -63.639 tors. eta vs tors. theta energy: -31.508 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: 3 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -736.448182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.448182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.448182 (E_RNA) where: Base-Base interactions energy: -301.515 where: short stacking energy: -214.543 Base-Backbone interact. energy: -5.040 local terms energy: -429.893325 where: bonds (distance) C4'-P energy: -125.654 bonds (distance) P-C4' energy: -138.804 flat angles C4'-P-C4' energy: -108.494 flat angles P-C4'-P energy: -61.049 tors. eta vs tors. theta energy: 4.108 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: 1, replica: 6 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -2947.222995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.222995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.222995 (E_RNA) where: Base-Base interactions energy: -2035.585 where: short stacking energy: -881.187 Base-Backbone interact. energy: 0.206 local terms energy: -911.844140 where: bonds (distance) C4'-P energy: -161.401 bonds (distance) P-C4' energy: -169.170 flat angles C4'-P-C4' energy: -204.288 flat angles P-C4'-P energy: -122.090 tors. eta vs tors. theta energy: -254.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2746.825223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.825223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.825223 (E_RNA) where: Base-Base interactions energy: -1897.938 where: short stacking energy: -793.792 Base-Backbone interact. energy: -4.228 local terms energy: -844.659295 where: bonds (distance) C4'-P energy: -149.609 bonds (distance) P-C4' energy: -165.308 flat angles C4'-P-C4' energy: -183.053 flat angles P-C4'-P energy: -120.169 tors. eta vs tors. theta energy: -226.521 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: 10 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -2645.222811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.222811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.222811 (E_RNA) where: Base-Base interactions energy: -1836.517 where: short stacking energy: -789.746 Base-Backbone interact. energy: -2.815 local terms energy: -805.890455 where: bonds (distance) C4'-P energy: -145.718 bonds (distance) P-C4' energy: -151.455 flat angles C4'-P-C4' energy: -180.331 flat angles P-C4'-P energy: -104.496 tors. eta vs tors. theta energy: -223.891 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: 7 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -2560.393886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.393886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.393886 (E_RNA) where: Base-Base interactions energy: -1768.937 where: short stacking energy: -769.785 Base-Backbone interact. energy: 2.301 local terms energy: -793.758310 where: bonds (distance) C4'-P energy: -162.325 bonds (distance) P-C4' energy: -138.227 flat angles C4'-P-C4' energy: -157.282 flat angles P-C4'-P energy: -121.659 tors. eta vs tors. theta energy: -214.266 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: 4 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -2429.295744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.295744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.295744 (E_RNA) where: Base-Base interactions energy: -1679.813 where: short stacking energy: -724.483 Base-Backbone interact. energy: 0.712 local terms energy: -750.194541 where: bonds (distance) C4'-P energy: -134.799 bonds (distance) P-C4' energy: -147.888 flat angles C4'-P-C4' energy: -165.783 flat angles P-C4'-P energy: -110.981 tors. eta vs tors. theta energy: -190.743 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: 6, replica: 9 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -2066.186119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.186119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.186119 (E_RNA) where: Base-Base interactions energy: -1357.664 where: short stacking energy: -629.777 Base-Backbone interact. energy: -2.314 local terms energy: -706.207216 where: bonds (distance) C4'-P energy: -147.706 bonds (distance) P-C4' energy: -164.841 flat angles C4'-P-C4' energy: -152.056 flat angles P-C4'-P energy: -98.071 tors. eta vs tors. theta energy: -143.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -2043.797436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.797436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.797436 (E_RNA) where: Base-Base interactions energy: -1393.542 where: short stacking energy: -594.909 Base-Backbone interact. energy: -0.969 local terms energy: -649.287040 where: bonds (distance) C4'-P energy: -134.553 bonds (distance) P-C4' energy: -149.458 flat angles C4'-P-C4' energy: -132.191 flat angles P-C4'-P energy: -94.012 tors. eta vs tors. theta energy: -139.073 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: 8, replica: 2 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1553.852195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.852195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.852195 (E_RNA) where: Base-Base interactions energy: -1000.963 where: short stacking energy: -442.167 Base-Backbone interact. energy: 1.586 local terms energy: -554.475513 where: bonds (distance) C4'-P energy: -125.530 bonds (distance) P-C4' energy: -114.653 flat angles C4'-P-C4' energy: -145.469 flat angles P-C4'-P energy: -76.509 tors. eta vs tors. theta energy: -92.314 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: 1 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -1090.299412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.299412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.299412 (E_RNA) where: Base-Base interactions energy: -616.903 where: short stacking energy: -308.475 Base-Backbone interact. energy: 10.010 local terms energy: -483.406441 where: bonds (distance) C4'-P energy: -124.962 bonds (distance) P-C4' energy: -142.795 flat angles C4'-P-C4' energy: -112.149 flat angles P-C4'-P energy: -71.342 tors. eta vs tors. theta energy: -32.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -755.981141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.981141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.981141 (E_RNA) where: Base-Base interactions energy: -343.128 where: short stacking energy: -219.564 Base-Backbone interact. energy: 1.539 local terms energy: -414.391480 where: bonds (distance) C4'-P energy: -120.377 bonds (distance) P-C4' energy: -132.712 flat angles C4'-P-C4' energy: -104.076 flat angles P-C4'-P energy: -72.105 tors. eta vs tors. theta energy: 14.878 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: 1, replica: 6 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -2935.831050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.831050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.831050 (E_RNA) where: Base-Base interactions energy: -2020.468 where: short stacking energy: -857.783 Base-Backbone interact. energy: -4.735 local terms energy: -910.627588 where: bonds (distance) C4'-P energy: -152.040 bonds (distance) P-C4' energy: -163.811 flat angles C4'-P-C4' energy: -186.602 flat angles P-C4'-P energy: -141.980 tors. eta vs tors. theta energy: -266.194 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: 8 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -2727.947246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.947246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.947246 (E_RNA) where: Base-Base interactions energy: -1894.652 where: short stacking energy: -782.393 Base-Backbone interact. energy: -4.920 local terms energy: -828.375385 where: bonds (distance) C4'-P energy: -155.403 bonds (distance) P-C4' energy: -158.196 flat angles C4'-P-C4' energy: -179.696 flat angles P-C4'-P energy: -111.349 tors. eta vs tors. theta energy: -223.731 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: 10 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -2636.571474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.571474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.571474 (E_RNA) where: Base-Base interactions energy: -1834.340 where: short stacking energy: -810.305 Base-Backbone interact. energy: -3.600 local terms energy: -798.632411 where: bonds (distance) C4'-P energy: -147.944 bonds (distance) P-C4' energy: -154.579 flat angles C4'-P-C4' energy: -169.968 flat angles P-C4'-P energy: -105.846 tors. eta vs tors. theta energy: -220.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -2580.075627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.075627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.075627 (E_RNA) where: Base-Base interactions energy: -1760.974 where: short stacking energy: -787.044 Base-Backbone interact. energy: 0.675 local terms energy: -819.776410 where: bonds (distance) C4'-P energy: -138.831 bonds (distance) P-C4' energy: -162.760 flat angles C4'-P-C4' energy: -173.270 flat angles P-C4'-P energy: -122.453 tors. eta vs tors. theta energy: -222.463 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: 4 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -2453.037249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.037249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.037249 (E_RNA) where: Base-Base interactions energy: -1694.622 where: short stacking energy: -733.304 Base-Backbone interact. energy: -4.215 local terms energy: -754.199780 where: bonds (distance) C4'-P energy: -120.357 bonds (distance) P-C4' energy: -159.796 flat angles C4'-P-C4' energy: -158.128 flat angles P-C4'-P energy: -100.965 tors. eta vs tors. theta energy: -214.953 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: 9 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -2139.578951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.578951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.578951 (E_RNA) where: Base-Base interactions energy: -1457.556 where: short stacking energy: -659.650 Base-Backbone interact. energy: -4.725 local terms energy: -677.298352 where: bonds (distance) C4'-P energy: -135.109 bonds (distance) P-C4' energy: -144.819 flat angles C4'-P-C4' energy: -153.699 flat angles P-C4'-P energy: -93.975 tors. eta vs tors. theta energy: -149.697 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: 193 Temperature: 1.200000 Total energy: -2010.483832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.483832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.483832 (E_RNA) where: Base-Base interactions energy: -1357.367 where: short stacking energy: -597.029 Base-Backbone interact. energy: 0.342 local terms energy: -653.459184 where: bonds (distance) C4'-P energy: -147.752 bonds (distance) P-C4' energy: -143.272 flat angles C4'-P-C4' energy: -145.560 flat angles P-C4'-P energy: -82.804 tors. eta vs tors. theta energy: -134.070 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: 8, replica: 2 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1598.651289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.651289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.651289 (E_RNA) where: Base-Base interactions energy: -1051.370 where: short stacking energy: -480.340 Base-Backbone interact. energy: -4.937 local terms energy: -542.344671 where: bonds (distance) C4'-P energy: -148.162 bonds (distance) P-C4' energy: -123.275 flat angles C4'-P-C4' energy: -112.375 flat angles P-C4'-P energy: -79.219 tors. eta vs tors. theta energy: -79.314 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: 1 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -1185.501868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.501868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.501868 (E_RNA) where: Base-Base interactions energy: -676.483 where: short stacking energy: -352.402 Base-Backbone interact. energy: -2.289 local terms energy: -506.729280 where: bonds (distance) C4'-P energy: -121.301 bonds (distance) P-C4' energy: -131.445 flat angles C4'-P-C4' energy: -140.942 flat angles P-C4'-P energy: -83.009 tors. eta vs tors. theta energy: -30.033 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: 10, replica: 3 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -759.775790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.775790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.775790 (E_RNA) where: Base-Base interactions energy: -350.329 where: short stacking energy: -199.714 Base-Backbone interact. energy: 0.683 local terms energy: -410.129963 where: bonds (distance) C4'-P energy: -153.815 bonds (distance) P-C4' energy: -133.782 flat angles C4'-P-C4' energy: -83.483 flat angles P-C4'-P energy: -64.019 tors. eta vs tors. theta energy: 24.968 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: 6 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -2921.166414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.166414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.166414 (E_RNA) where: Base-Base interactions energy: -2016.834 where: short stacking energy: -867.222 Base-Backbone interact. energy: 0.395 local terms energy: -904.727573 where: bonds (distance) C4'-P energy: -161.305 bonds (distance) P-C4' energy: -163.523 flat angles C4'-P-C4' energy: -194.313 flat angles P-C4'-P energy: -137.158 tors. eta vs tors. theta energy: -248.429 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: 2, replica: 8 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -2753.092275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.092275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.092275 (E_RNA) where: Base-Base interactions energy: -1926.254 where: short stacking energy: -838.430 Base-Backbone interact. energy: -2.593 local terms energy: -824.245819 where: bonds (distance) C4'-P energy: -154.036 bonds (distance) P-C4' energy: -139.439 flat angles C4'-P-C4' energy: -185.265 flat angles P-C4'-P energy: -110.765 tors. eta vs tors. theta energy: -234.742 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: 10 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -2598.939805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.939805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.939805 (E_RNA) where: Base-Base interactions energy: -1798.670 where: short stacking energy: -775.273 Base-Backbone interact. energy: -1.425 local terms energy: -798.844908 where: bonds (distance) C4'-P energy: -155.759 bonds (distance) P-C4' energy: -160.092 flat angles C4'-P-C4' energy: -161.160 flat angles P-C4'-P energy: -113.360 tors. eta vs tors. theta energy: -208.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -2552.246646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.246646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.246646 (E_RNA) where: Base-Base interactions energy: -1765.111 where: short stacking energy: -781.362 Base-Backbone interact. energy: 0.038 local terms energy: -787.173556 where: bonds (distance) C4'-P energy: -138.429 bonds (distance) P-C4' energy: -142.732 flat angles C4'-P-C4' energy: -172.871 flat angles P-C4'-P energy: -110.426 tors. eta vs tors. theta energy: -222.715 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: 5, replica: 4 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -2428.365598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.365598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.365598 (E_RNA) where: Base-Base interactions energy: -1652.617 where: short stacking energy: -697.763 Base-Backbone interact. energy: -3.199 local terms energy: -772.549128 where: bonds (distance) C4'-P energy: -142.388 bonds (distance) P-C4' energy: -165.926 flat angles C4'-P-C4' energy: -141.684 flat angles P-C4'-P energy: -118.739 tors. eta vs tors. theta energy: -203.812 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: 194 Temperature: 1.150000 Total energy: -2076.726403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.726403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.726403 (E_RNA) where: Base-Base interactions energy: -1394.060 where: short stacking energy: -629.402 Base-Backbone interact. energy: 0.267 local terms energy: -682.933873 where: bonds (distance) C4'-P energy: -140.315 bonds (distance) P-C4' energy: -143.886 flat angles C4'-P-C4' energy: -154.561 flat angles P-C4'-P energy: -104.172 tors. eta vs tors. theta energy: -140.000 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: 5 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -2021.055455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.055455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.055455 (E_RNA) where: Base-Base interactions energy: -1346.464 where: short stacking energy: -595.260 Base-Backbone interact. energy: 1.255 local terms energy: -675.846170 where: bonds (distance) C4'-P energy: -124.193 bonds (distance) P-C4' energy: -151.341 flat angles C4'-P-C4' energy: -162.671 flat angles P-C4'-P energy: -84.614 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: 8, replica: 2 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1537.506780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.506780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.506780 (E_RNA) where: Base-Base interactions energy: -964.913 where: short stacking energy: -452.399 Base-Backbone interact. energy: 7.717 local terms energy: -580.310704 where: bonds (distance) C4'-P energy: -127.230 bonds (distance) P-C4' energy: -145.896 flat angles C4'-P-C4' energy: -150.755 flat angles P-C4'-P energy: -82.869 tors. eta vs tors. theta energy: -73.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -1165.355205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.355205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.355205 (E_RNA) where: Base-Base interactions energy: -668.015 where: short stacking energy: -344.943 Base-Backbone interact. energy: 0.595 local terms energy: -497.935407 where: bonds (distance) C4'-P energy: -136.762 bonds (distance) P-C4' energy: -131.009 flat angles C4'-P-C4' energy: -102.501 flat angles P-C4'-P energy: -87.420 tors. eta vs tors. theta energy: -40.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -793.862535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.862535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.862535 (E_RNA) where: Base-Base interactions energy: -358.023 where: short stacking energy: -219.792 Base-Backbone interact. energy: 2.398 local terms energy: -438.236846 where: bonds (distance) C4'-P energy: -130.465 bonds (distance) P-C4' energy: -133.120 flat angles C4'-P-C4' energy: -118.806 flat angles P-C4'-P energy: -57.650 tors. eta vs tors. theta energy: 1.803 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: 6 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -2944.213143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.213143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.213143 (E_RNA) where: Base-Base interactions energy: -2057.762 where: short stacking energy: -891.041 Base-Backbone interact. energy: -2.709 local terms energy: -883.742151 where: bonds (distance) C4'-P energy: -148.277 bonds (distance) P-C4' energy: -162.291 flat angles C4'-P-C4' energy: -189.193 flat angles P-C4'-P energy: -135.166 tors. eta vs tors. theta energy: -248.815 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: 8 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -2760.877193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.877193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.877193 (E_RNA) where: Base-Base interactions energy: -1927.205 where: short stacking energy: -803.663 Base-Backbone interact. energy: -1.770 local terms energy: -831.902642 where: bonds (distance) C4'-P energy: -161.990 bonds (distance) P-C4' energy: -155.655 flat angles C4'-P-C4' energy: -177.496 flat angles P-C4'-P energy: -110.822 tors. eta vs tors. theta energy: -225.939 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: 10 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -2644.832960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.832960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.832960 (E_RNA) where: Base-Base interactions energy: -1836.072 where: short stacking energy: -805.478 Base-Backbone interact. energy: -0.478 local terms energy: -808.283514 where: bonds (distance) C4'-P energy: -128.901 bonds (distance) P-C4' energy: -168.665 flat angles C4'-P-C4' energy: -173.316 flat angles P-C4'-P energy: -107.593 tors. eta vs tors. theta energy: -229.808 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: 4, replica: 7 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -2550.469994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.469994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.469994 (E_RNA) where: Base-Base interactions energy: -1752.223 where: short stacking energy: -803.896 Base-Backbone interact. energy: -1.831 local terms energy: -796.416294 where: bonds (distance) C4'-P energy: -127.612 bonds (distance) P-C4' energy: -143.263 flat angles C4'-P-C4' energy: -184.491 flat angles P-C4'-P energy: -116.676 tors. eta vs tors. theta energy: -224.375 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: 4 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -2424.211516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.211516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.211516 (E_RNA) where: Base-Base interactions energy: -1681.593 where: short stacking energy: -708.613 Base-Backbone interact. energy: 0.945 local terms energy: -743.563656 where: bonds (distance) C4'-P energy: -128.946 bonds (distance) P-C4' energy: -138.908 flat angles C4'-P-C4' energy: -179.200 flat angles P-C4'-P energy: -119.587 tors. eta vs tors. theta energy: -176.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -2066.851410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.851410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.851410 (E_RNA) where: Base-Base interactions energy: -1378.718 where: short stacking energy: -637.729 Base-Backbone interact. energy: 7.119 local terms energy: -695.253041 where: bonds (distance) C4'-P energy: -132.757 bonds (distance) P-C4' energy: -140.591 flat angles C4'-P-C4' energy: -163.917 flat angles P-C4'-P energy: -86.690 tors. eta vs tors. theta energy: -171.298 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: 195 Temperature: 1.200000 Total energy: -1978.046088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.046088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.046088 (E_RNA) where: Base-Base interactions energy: -1336.712 where: short stacking energy: -589.926 Base-Backbone interact. energy: -4.925 local terms energy: -636.408698 where: bonds (distance) C4'-P energy: -108.539 bonds (distance) P-C4' energy: -146.980 flat angles C4'-P-C4' energy: -145.826 flat angles P-C4'-P energy: -87.744 tors. eta vs tors. theta energy: -147.321 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: 8, replica: 2 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1616.739565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.739565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.739565 (E_RNA) where: Base-Base interactions energy: -1096.452 where: short stacking energy: -460.816 Base-Backbone interact. energy: -2.337 local terms energy: -517.950041 where: bonds (distance) C4'-P energy: -127.526 bonds (distance) P-C4' energy: -133.952 flat angles C4'-P-C4' energy: -124.039 flat angles P-C4'-P energy: -55.685 tors. eta vs tors. theta energy: -76.747 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: 1 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -1162.011774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.011774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.011774 (E_RNA) where: Base-Base interactions energy: -679.200 where: short stacking energy: -369.444 Base-Backbone interact. energy: 4.699 local terms energy: -487.510366 where: bonds (distance) C4'-P energy: -127.793 bonds (distance) P-C4' energy: -135.246 flat angles C4'-P-C4' energy: -102.202 flat angles P-C4'-P energy: -81.733 tors. eta vs tors. theta energy: -40.536 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: 10, replica: 3 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -752.237593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.237593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.237593 (E_RNA) where: Base-Base interactions energy: -338.796 where: short stacking energy: -196.759 Base-Backbone interact. energy: -2.630 local terms energy: -410.811413 where: bonds (distance) C4'-P energy: -135.625 bonds (distance) P-C4' energy: -132.671 flat angles C4'-P-C4' energy: -100.551 flat angles P-C4'-P energy: -61.309 tors. eta vs tors. theta energy: 19.344 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: 1, replica: 6 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -2895.302359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.302359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.302359 (E_RNA) where: Base-Base interactions energy: -2035.896 where: short stacking energy: -856.952 Base-Backbone interact. energy: -1.028 local terms energy: -858.378036 where: bonds (distance) C4'-P energy: -148.587 bonds (distance) P-C4' energy: -173.613 flat angles C4'-P-C4' energy: -173.622 flat angles P-C4'-P energy: -123.592 tors. eta vs tors. theta energy: -238.964 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: 196 Temperature: 0.950000 Total energy: -2739.364109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.364109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.364109 (E_RNA) where: Base-Base interactions energy: -1906.155 where: short stacking energy: -818.538 Base-Backbone interact. energy: -1.376 local terms energy: -831.832636 where: bonds (distance) C4'-P energy: -158.565 bonds (distance) P-C4' energy: -151.637 flat angles C4'-P-C4' energy: -177.014 flat angles P-C4'-P energy: -111.803 tors. eta vs tors. theta energy: -232.813 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: 7 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -2605.730177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.730177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.730177 (E_RNA) where: Base-Base interactions energy: -1789.906 where: short stacking energy: -800.335 Base-Backbone interact. energy: 0.876 local terms energy: -816.700106 where: bonds (distance) C4'-P energy: -140.226 bonds (distance) P-C4' energy: -151.124 flat angles C4'-P-C4' energy: -181.052 flat angles P-C4'-P energy: -113.679 tors. eta vs tors. theta energy: -230.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -2564.975045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.975045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.975045 (E_RNA) where: Base-Base interactions energy: -1752.696 where: short stacking energy: -764.960 Base-Backbone interact. energy: 2.722 local terms energy: -815.000958 where: bonds (distance) C4'-P energy: -140.215 bonds (distance) P-C4' energy: -171.853 flat angles C4'-P-C4' energy: -168.456 flat angles P-C4'-P energy: -122.353 tors. eta vs tors. theta energy: -212.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -2351.941215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.941215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.941215 (E_RNA) where: Base-Base interactions energy: -1590.616 where: short stacking energy: -694.002 Base-Backbone interact. energy: -2.742 local terms energy: -758.582818 where: bonds (distance) C4'-P energy: -128.623 bonds (distance) P-C4' energy: -162.711 flat angles C4'-P-C4' energy: -160.440 flat angles P-C4'-P energy: -110.789 tors. eta vs tors. theta energy: -196.020 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: 6, replica: 9 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -2069.595803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.595803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.595803 (E_RNA) where: Base-Base interactions energy: -1401.792 where: short stacking energy: -617.484 Base-Backbone interact. energy: -2.899 local terms energy: -664.905295 where: bonds (distance) C4'-P energy: -123.333 bonds (distance) P-C4' energy: -151.738 flat angles C4'-P-C4' energy: -157.154 flat angles P-C4'-P energy: -86.676 tors. eta vs tors. theta energy: -146.005 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: 196 Temperature: 1.200000 Total energy: -2022.318356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.318356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.318356 (E_RNA) where: Base-Base interactions energy: -1353.815 where: short stacking energy: -590.968 Base-Backbone interact. energy: -0.562 local terms energy: -667.941619 where: bonds (distance) C4'-P energy: -128.182 bonds (distance) P-C4' energy: -147.405 flat angles C4'-P-C4' energy: -155.209 flat angles P-C4'-P energy: -100.448 tors. eta vs tors. theta energy: -136.698 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: 2 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1680.046036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.046036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.046036 (E_RNA) where: Base-Base interactions energy: -1127.760 where: short stacking energy: -514.053 Base-Backbone interact. energy: -3.388 local terms energy: -548.897905 where: bonds (distance) C4'-P energy: -118.630 bonds (distance) P-C4' energy: -115.070 flat angles C4'-P-C4' energy: -137.663 flat angles P-C4'-P energy: -84.235 tors. eta vs tors. theta energy: -93.299 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: 9, replica: 1 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -1079.071020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.071020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.071020 (E_RNA) where: Base-Base interactions energy: -604.577 where: short stacking energy: -325.823 Base-Backbone interact. energy: 0.331 local terms energy: -474.825176 where: bonds (distance) C4'-P energy: -119.932 bonds (distance) P-C4' energy: -138.623 flat angles C4'-P-C4' energy: -130.489 flat angles P-C4'-P energy: -77.875 tors. eta vs tors. theta energy: -7.907 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: 10, replica: 3 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -752.052460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.052460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.052460 (E_RNA) where: Base-Base interactions energy: -398.302 where: short stacking energy: -220.787 Base-Backbone interact. energy: 6.206 local terms energy: -359.956136 where: bonds (distance) C4'-P energy: -126.079 bonds (distance) P-C4' energy: -127.716 flat angles C4'-P-C4' energy: -74.192 flat angles P-C4'-P energy: -64.617 tors. eta vs tors. theta energy: 32.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -2901.499417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.499417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.499417 (E_RNA) where: Base-Base interactions energy: -2008.119 where: short stacking energy: -839.813 Base-Backbone interact. energy: 0.432 local terms energy: -893.813015 where: bonds (distance) C4'-P energy: -173.857 bonds (distance) P-C4' energy: -166.572 flat angles C4'-P-C4' energy: -188.229 flat angles P-C4'-P energy: -113.236 tors. eta vs tors. theta energy: -251.920 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: 8 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -2740.533183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.533183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.533183 (E_RNA) where: Base-Base interactions energy: -1881.422 where: short stacking energy: -804.440 Base-Backbone interact. energy: -2.124 local terms energy: -856.987205 where: bonds (distance) C4'-P energy: -165.575 bonds (distance) P-C4' energy: -148.553 flat angles C4'-P-C4' energy: -199.799 flat angles P-C4'-P energy: -121.986 tors. eta vs tors. theta energy: -221.074 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: 3, replica: 7 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -2571.607398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.607398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.607398 (E_RNA) where: Base-Base interactions energy: -1767.799 where: short stacking energy: -787.252 Base-Backbone interact. energy: 0.824 local terms energy: -804.632420 where: bonds (distance) C4'-P energy: -153.159 bonds (distance) P-C4' energy: -144.129 flat angles C4'-P-C4' energy: -171.761 flat angles P-C4'-P energy: -113.209 tors. eta vs tors. theta energy: -222.374 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: 4, replica: 10 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -2533.057410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.057410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.057410 (E_RNA) where: Base-Base interactions energy: -1773.951 where: short stacking energy: -768.222 Base-Backbone interact. energy: -1.649 local terms energy: -757.457220 where: bonds (distance) C4'-P energy: -139.724 bonds (distance) P-C4' energy: -132.057 flat angles C4'-P-C4' energy: -170.136 flat angles P-C4'-P energy: -105.164 tors. eta vs tors. theta energy: -210.376 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: 197 Temperature: 1.100000 Total energy: -2452.425718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.425718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.425718 (E_RNA) where: Base-Base interactions energy: -1696.054 where: short stacking energy: -715.834 Base-Backbone interact. energy: 2.632 local terms energy: -759.004030 where: bonds (distance) C4'-P energy: -143.047 bonds (distance) P-C4' energy: -142.406 flat angles C4'-P-C4' energy: -159.735 flat angles P-C4'-P energy: -114.666 tors. eta vs tors. theta energy: -199.150 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: 6, replica: 5 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -2090.034983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.034983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.034983 (E_RNA) where: Base-Base interactions energy: -1447.697 where: short stacking energy: -599.746 Base-Backbone interact. energy: -3.562 local terms energy: -638.775992 where: bonds (distance) C4'-P energy: -121.026 bonds (distance) P-C4' energy: -127.747 flat angles C4'-P-C4' energy: -139.198 flat angles P-C4'-P energy: -97.834 tors. eta vs tors. theta energy: -152.971 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: 197 Temperature: 1.200000 Total energy: -1991.794473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.794473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.794473 (E_RNA) where: Base-Base interactions energy: -1372.151 where: short stacking energy: -604.574 Base-Backbone interact. energy: 1.498 local terms energy: -621.140554 where: bonds (distance) C4'-P energy: -132.636 bonds (distance) P-C4' energy: -113.736 flat angles C4'-P-C4' energy: -142.399 flat angles P-C4'-P energy: -85.932 tors. eta vs tors. theta energy: -146.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1657.056300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.056300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.056300 (E_RNA) where: Base-Base interactions energy: -1099.156 where: short stacking energy: -501.624 Base-Backbone interact. energy: -1.930 local terms energy: -555.971146 where: bonds (distance) C4'-P energy: -116.562 bonds (distance) P-C4' energy: -143.288 flat angles C4'-P-C4' energy: -130.189 flat angles P-C4'-P energy: -78.053 tors. eta vs tors. theta energy: -87.879 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: 1 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -1096.318976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.318976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.318976 (E_RNA) where: Base-Base interactions energy: -612.240 where: short stacking energy: -313.446 Base-Backbone interact. energy: 0.358 local terms energy: -484.437413 where: bonds (distance) C4'-P energy: -125.673 bonds (distance) P-C4' energy: -135.282 flat angles C4'-P-C4' energy: -144.745 flat angles P-C4'-P energy: -48.198 tors. eta vs tors. theta energy: -30.539 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: 3 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -677.776755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.776755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.776755 (E_RNA) where: Base-Base interactions energy: -269.696 where: short stacking energy: -175.318 Base-Backbone interact. energy: 5.167 local terms energy: -413.247944 where: bonds (distance) C4'-P energy: -117.165 bonds (distance) P-C4' energy: -139.428 flat angles C4'-P-C4' energy: -102.947 flat angles P-C4'-P energy: -80.941 tors. eta vs tors. theta energy: 27.233 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: 6 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -2915.607248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.607248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.607248 (E_RNA) where: Base-Base interactions energy: -2017.603 where: short stacking energy: -848.216 Base-Backbone interact. energy: -4.048 local terms energy: -893.956302 where: bonds (distance) C4'-P energy: -167.490 bonds (distance) P-C4' energy: -169.006 flat angles C4'-P-C4' energy: -191.330 flat angles P-C4'-P energy: -119.358 tors. eta vs tors. theta energy: -246.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2689.166007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.166007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.166007 (E_RNA) where: Base-Base interactions energy: -1849.240 where: short stacking energy: -781.803 Base-Backbone interact. energy: -4.357 local terms energy: -835.569051 where: bonds (distance) C4'-P energy: -157.958 bonds (distance) P-C4' energy: -157.285 flat angles C4'-P-C4' energy: -184.582 flat angles P-C4'-P energy: -109.446 tors. eta vs tors. theta energy: -226.299 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: 3, replica: 7 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -2628.110762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.110762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.110762 (E_RNA) where: Base-Base interactions energy: -1796.023 where: short stacking energy: -800.932 Base-Backbone interact. energy: -0.252 local terms energy: -831.835931 where: bonds (distance) C4'-P energy: -157.426 bonds (distance) P-C4' energy: -159.597 flat angles C4'-P-C4' energy: -174.720 flat angles P-C4'-P energy: -108.432 tors. eta vs tors. theta energy: -231.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -2569.886675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.886675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.886675 (E_RNA) where: Base-Base interactions energy: -1767.312 where: short stacking energy: -776.718 Base-Backbone interact. energy: -2.215 local terms energy: -800.359604 where: bonds (distance) C4'-P energy: -138.838 bonds (distance) P-C4' energy: -163.589 flat angles C4'-P-C4' energy: -171.212 flat angles P-C4'-P energy: -107.679 tors. eta vs tors. theta energy: -219.041 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: 198 Temperature: 1.100000 Total energy: -2428.537289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.537289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.537289 (E_RNA) where: Base-Base interactions energy: -1698.736 where: short stacking energy: -712.296 Base-Backbone interact. energy: -3.279 local terms energy: -726.521512 where: bonds (distance) C4'-P energy: -132.298 bonds (distance) P-C4' energy: -143.655 flat angles C4'-P-C4' energy: -158.911 flat angles P-C4'-P energy: -101.302 tors. eta vs tors. theta energy: -190.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -2108.608790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.608790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.608790 (E_RNA) where: Base-Base interactions energy: -1448.562 where: short stacking energy: -608.046 Base-Backbone interact. energy: -2.206 local terms energy: -657.840418 where: bonds (distance) C4'-P energy: -145.475 bonds (distance) P-C4' energy: -127.591 flat angles C4'-P-C4' energy: -130.617 flat angles P-C4'-P energy: -93.007 tors. eta vs tors. theta energy: -161.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1956.991987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.991987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.991987 (E_RNA) where: Base-Base interactions energy: -1306.282 where: short stacking energy: -576.654 Base-Backbone interact. energy: 0.763 local terms energy: -651.473462 where: bonds (distance) C4'-P energy: -152.298 bonds (distance) P-C4' energy: -125.449 flat angles C4'-P-C4' energy: -152.145 flat angles P-C4'-P energy: -95.548 tors. eta vs tors. theta energy: -126.034 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: 8, replica: 2 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1678.224031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.224031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.224031 (E_RNA) where: Base-Base interactions energy: -1115.410 where: short stacking energy: -498.534 Base-Backbone interact. energy: 2.664 local terms energy: -565.477757 where: bonds (distance) C4'-P energy: -131.327 bonds (distance) P-C4' energy: -138.162 flat angles C4'-P-C4' energy: -132.647 flat angles P-C4'-P energy: -83.349 tors. eta vs tors. theta energy: -79.992 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: 9, replica: 1 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -1144.722861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.722861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.722861 (E_RNA) where: Base-Base interactions energy: -640.787 where: short stacking energy: -335.647 Base-Backbone interact. energy: 6.230 local terms energy: -510.165764 where: bonds (distance) C4'-P energy: -141.985 bonds (distance) P-C4' energy: -124.423 flat angles C4'-P-C4' energy: -138.093 flat angles P-C4'-P energy: -68.043 tors. eta vs tors. theta energy: -37.622 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: 3 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -654.402129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.402129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.402129 (E_RNA) where: Base-Base interactions energy: -251.007 where: short stacking energy: -203.245 Base-Backbone interact. energy: 6.718 local terms energy: -410.112633 where: bonds (distance) C4'-P energy: -143.763 bonds (distance) P-C4' energy: -129.567 flat angles C4'-P-C4' energy: -105.991 flat angles P-C4'-P energy: -58.381 tors. eta vs tors. theta energy: 27.590 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: 6 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -2928.713576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.713576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.713576 (E_RNA) where: Base-Base interactions energy: -2029.483 where: short stacking energy: -856.481 Base-Backbone interact. energy: -5.316 local terms energy: -893.913844 where: bonds (distance) C4'-P energy: -168.290 bonds (distance) P-C4' energy: -165.011 flat angles C4'-P-C4' energy: -173.363 flat angles P-C4'-P energy: -135.088 tors. eta vs tors. theta energy: -252.162 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: 8 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -2736.281693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.281693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.281693 (E_RNA) where: Base-Base interactions energy: -1895.575 where: short stacking energy: -815.902 Base-Backbone interact. energy: -3.076 local terms energy: -837.630522 where: bonds (distance) C4'-P energy: -160.118 bonds (distance) P-C4' energy: -141.241 flat angles C4'-P-C4' energy: -182.272 flat angles P-C4'-P energy: -123.327 tors. eta vs tors. theta energy: -230.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -2625.832804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.832804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.832804 (E_RNA) where: Base-Base interactions energy: -1810.552 where: short stacking energy: -826.946 Base-Backbone interact. energy: 5.261 local terms energy: -820.541824 where: bonds (distance) C4'-P energy: -139.309 bonds (distance) P-C4' energy: -152.384 flat angles C4'-P-C4' energy: -184.111 flat angles P-C4'-P energy: -107.531 tors. eta vs tors. theta energy: -237.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -2574.684582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.684582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.684582 (E_RNA) where: Base-Base interactions energy: -1804.328 where: short stacking energy: -785.475 Base-Backbone interact. energy: -0.796 local terms energy: -769.561187 where: bonds (distance) C4'-P energy: -144.109 bonds (distance) P-C4' energy: -135.345 flat angles C4'-P-C4' energy: -163.999 flat angles P-C4'-P energy: -111.042 tors. eta vs tors. theta energy: -215.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -2395.283934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.283934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.283934 (E_RNA) where: Base-Base interactions energy: -1659.116 where: short stacking energy: -715.032 Base-Backbone interact. energy: 0.454 local terms energy: -736.622015 where: bonds (distance) C4'-P energy: -121.876 bonds (distance) P-C4' energy: -138.940 flat angles C4'-P-C4' energy: -159.250 flat angles P-C4'-P energy: -109.628 tors. eta vs tors. theta energy: -206.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -2147.183090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.183090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.183090 (E_RNA) where: Base-Base interactions energy: -1456.648 where: short stacking energy: -642.918 Base-Backbone interact. energy: 0.103 local terms energy: -690.638684 where: bonds (distance) C4'-P energy: -126.257 bonds (distance) P-C4' energy: -139.163 flat angles C4'-P-C4' energy: -160.981 flat angles P-C4'-P energy: -103.282 tors. eta vs tors. theta energy: -160.955 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: 9 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1915.213746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.213746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.213746 (E_RNA) where: Base-Base interactions energy: -1298.215 where: short stacking energy: -568.936 Base-Backbone interact. energy: 3.038 local terms energy: -620.037341 where: bonds (distance) C4'-P energy: -120.961 bonds (distance) P-C4' energy: -137.385 flat angles C4'-P-C4' energy: -148.606 flat angles P-C4'-P energy: -90.072 tors. eta vs tors. theta energy: -123.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1721.002123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.002123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.002123 (E_RNA) where: Base-Base interactions energy: -1133.757 where: short stacking energy: -497.905 Base-Backbone interact. energy: 1.562 local terms energy: -588.807457 where: bonds (distance) C4'-P energy: -130.428 bonds (distance) P-C4' energy: -143.558 flat angles C4'-P-C4' energy: -130.125 flat angles P-C4'-P energy: -91.342 tors. eta vs tors. theta energy: -93.355 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: 9, replica: 1 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -1138.020372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.020372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.020372 (E_RNA) where: Base-Base interactions energy: -686.996 where: short stacking energy: -339.816 Base-Backbone interact. energy: 1.481 local terms energy: -452.505716 where: bonds (distance) C4'-P energy: -115.760 bonds (distance) P-C4' energy: -105.333 flat angles C4'-P-C4' energy: -127.922 flat angles P-C4'-P energy: -67.165 tors. eta vs tors. theta energy: -36.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -714.967997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.967997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.967997 (E_RNA) where: Base-Base interactions energy: -340.348 where: short stacking energy: -214.749 Base-Backbone interact. energy: 0.673 local terms energy: -375.293114 where: bonds (distance) C4'-P energy: -118.766 bonds (distance) P-C4' energy: -140.496 flat angles C4'-P-C4' energy: -110.734 flat angles P-C4'-P energy: -28.759 tors. eta vs tors. theta energy: 23.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -2902.856204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.856204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.856204 (E_RNA) where: Base-Base interactions energy: -2029.333 where: short stacking energy: -852.381 Base-Backbone interact. energy: 3.470 local terms energy: -876.993192 where: bonds (distance) C4'-P energy: -162.336 bonds (distance) P-C4' energy: -158.933 flat angles C4'-P-C4' energy: -197.091 flat angles P-C4'-P energy: -110.281 tors. eta vs tors. theta energy: -248.353 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: 2, replica: 8 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -2762.993050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.993050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.993050 (E_RNA) where: Base-Base interactions energy: -1913.621 where: short stacking energy: -826.494 Base-Backbone interact. energy: -4.439 local terms energy: -844.933219 where: bonds (distance) C4'-P energy: -156.138 bonds (distance) P-C4' energy: -158.470 flat angles C4'-P-C4' energy: -194.717 flat angles P-C4'-P energy: -107.074 tors. eta vs tors. theta energy: -228.533 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: 10 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -2648.727092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.727092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.727092 (E_RNA) where: Base-Base interactions energy: -1842.954 where: short stacking energy: -759.187 Base-Backbone interact. energy: -5.156 local terms energy: -800.617841 where: bonds (distance) C4'-P energy: -141.863 bonds (distance) P-C4' energy: -153.845 flat angles C4'-P-C4' energy: -179.288 flat angles P-C4'-P energy: -125.185 tors. eta vs tors. theta energy: -200.437 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: 4, replica: 7 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -2537.445737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.445737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.445737 (E_RNA) where: Base-Base interactions energy: -1706.114 where: short stacking energy: -751.505 Base-Backbone interact. energy: -0.672 local terms energy: -830.659971 where: bonds (distance) C4'-P energy: -158.155 bonds (distance) P-C4' energy: -156.917 flat angles C4'-P-C4' energy: -184.361 flat angles P-C4'-P energy: -117.056 tors. eta vs tors. theta energy: -214.170 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: 200 Temperature: 1.100000 Total energy: -2414.818437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.818437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.818437 (E_RNA) where: Base-Base interactions energy: -1682.895 where: short stacking energy: -697.445 Base-Backbone interact. energy: 0.527 local terms energy: -732.450225 where: bonds (distance) C4'-P energy: -128.248 bonds (distance) P-C4' energy: -150.898 flat angles C4'-P-C4' energy: -158.952 flat angles P-C4'-P energy: -101.622 tors. eta vs tors. theta energy: -192.731 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: 5 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -2095.407726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.407726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.407726 (E_RNA) where: Base-Base interactions energy: -1448.332 where: short stacking energy: -588.241 Base-Backbone interact. energy: 0.374 local terms energy: -647.449988 where: bonds (distance) C4'-P energy: -135.719 bonds (distance) P-C4' energy: -158.858 flat angles C4'-P-C4' energy: -141.084 flat angles P-C4'-P energy: -67.003 tors. eta vs tors. theta energy: -144.785 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: 9 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1906.686337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.686337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.686337 (E_RNA) where: Base-Base interactions energy: -1297.479 where: short stacking energy: -556.763 Base-Backbone interact. energy: -0.251 local terms energy: -608.955764 where: bonds (distance) C4'-P energy: -125.035 bonds (distance) P-C4' energy: -142.669 flat angles C4'-P-C4' energy: -130.867 flat angles P-C4'-P energy: -85.294 tors. eta vs tors. theta energy: -125.091 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: 2 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1694.488760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.488760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.488760 (E_RNA) where: Base-Base interactions energy: -1126.637 where: short stacking energy: -495.269 Base-Backbone interact. energy: 4.715 local terms energy: -572.567067 where: bonds (distance) C4'-P energy: -133.619 bonds (distance) P-C4' energy: -135.905 flat angles C4'-P-C4' energy: -133.386 flat angles P-C4'-P energy: -73.579 tors. eta vs tors. theta energy: -96.079 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: 9, replica: 1 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -1213.446575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.446575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.446575 (E_RNA) where: Base-Base interactions energy: -712.909 where: short stacking energy: -349.069 Base-Backbone interact. energy: 3.941 local terms energy: -504.477939 where: bonds (distance) C4'-P energy: -110.420 bonds (distance) P-C4' energy: -137.846 flat angles C4'-P-C4' energy: -127.902 flat angles P-C4'-P energy: -71.056 tors. eta vs tors. theta energy: -57.254 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: 3 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -724.438701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.438701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.438701 (E_RNA) where: Base-Base interactions energy: -323.943 where: short stacking energy: -225.612 Base-Backbone interact. energy: 1.305 local terms energy: -401.801197 where: bonds (distance) C4'-P energy: -110.766 bonds (distance) P-C4' energy: -138.042 flat angles C4'-P-C4' energy: -127.637 flat angles P-C4'-P energy: -37.384 tors. eta vs tors. theta energy: 12.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -2966.337391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.337391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.337391 (E_RNA) where: Base-Base interactions energy: -2086.746 where: short stacking energy: -889.986 Base-Backbone interact. energy: -2.350 local terms energy: -877.240769 where: bonds (distance) C4'-P energy: -152.529 bonds (distance) P-C4' energy: -159.430 flat angles C4'-P-C4' energy: -185.774 flat angles P-C4'-P energy: -124.788 tors. eta vs tors. theta energy: -254.720 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: 8 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -2757.631510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.631510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.631510 (E_RNA) where: Base-Base interactions energy: -1905.060 where: short stacking energy: -793.159 Base-Backbone interact. energy: -3.692 local terms energy: -848.879386 where: bonds (distance) C4'-P energy: -157.080 bonds (distance) P-C4' energy: -159.631 flat angles C4'-P-C4' energy: -183.218 flat angles P-C4'-P energy: -113.661 tors. eta vs tors. theta energy: -235.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -2655.408929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.408929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.408929 (E_RNA) where: Base-Base interactions energy: -1836.659 where: short stacking energy: -782.821 Base-Backbone interact. energy: 0.515 local terms energy: -819.264802 where: bonds (distance) C4'-P energy: -153.447 bonds (distance) P-C4' energy: -161.329 flat angles C4'-P-C4' energy: -178.849 flat angles P-C4'-P energy: -108.130 tors. eta vs tors. theta energy: -217.509 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: 4, replica: 7 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -2524.871586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.871586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.871586 (E_RNA) where: Base-Base interactions energy: -1711.609 where: short stacking energy: -749.808 Base-Backbone interact. energy: -2.414 local terms energy: -810.848778 where: bonds (distance) C4'-P energy: -148.684 bonds (distance) P-C4' energy: -152.876 flat angles C4'-P-C4' energy: -170.677 flat angles P-C4'-P energy: -121.315 tors. eta vs tors. theta energy: -217.298 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: 201 Temperature: 1.100000 Total energy: -2410.832845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.832845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.832845 (E_RNA) where: Base-Base interactions energy: -1653.456 where: short stacking energy: -740.693 Base-Backbone interact. energy: -2.987 local terms energy: -754.389964 where: bonds (distance) C4'-P energy: -143.299 bonds (distance) P-C4' energy: -142.404 flat angles C4'-P-C4' energy: -173.039 flat angles P-C4'-P energy: -103.239 tors. eta vs tors. theta energy: -192.409 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: 5 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -2174.203104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.203104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.203104 (E_RNA) where: Base-Base interactions energy: -1501.158 where: short stacking energy: -651.161 Base-Backbone interact. energy: -0.187 local terms energy: -672.857820 where: bonds (distance) C4'-P energy: -125.976 bonds (distance) P-C4' energy: -149.921 flat angles C4'-P-C4' energy: -151.609 flat angles P-C4'-P energy: -92.142 tors. eta vs tors. theta energy: -153.210 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: 7, replica: 9 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1902.540683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.540683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.540683 (E_RNA) where: Base-Base interactions energy: -1245.986 where: short stacking energy: -550.420 Base-Backbone interact. energy: 1.041 local terms energy: -657.595490 where: bonds (distance) C4'-P energy: -140.343 bonds (distance) P-C4' energy: -134.206 flat angles C4'-P-C4' energy: -148.824 flat angles P-C4'-P energy: -104.387 tors. eta vs tors. theta energy: -129.836 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: 8, replica: 2 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1562.354476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.354476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.354476 (E_RNA) where: Base-Base interactions energy: -1014.792 where: short stacking energy: -430.548 Base-Backbone interact. energy: -1.941 local terms energy: -545.621409 where: bonds (distance) C4'-P energy: -128.318 bonds (distance) P-C4' energy: -131.148 flat angles C4'-P-C4' energy: -127.396 flat angles P-C4'-P energy: -83.706 tors. eta vs tors. theta energy: -75.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -1125.612240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.612240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.612240 (E_RNA) where: Base-Base interactions energy: -607.693 where: short stacking energy: -310.561 Base-Backbone interact. energy: 2.399 local terms energy: -520.318161 where: bonds (distance) C4'-P energy: -126.867 bonds (distance) P-C4' energy: -142.110 flat angles C4'-P-C4' energy: -142.018 flat angles P-C4'-P energy: -87.293 tors. eta vs tors. theta energy: -22.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -683.681915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.681915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.681915 (E_RNA) where: Base-Base interactions energy: -263.348 where: short stacking energy: -188.812 Base-Backbone interact. energy: -1.254 local terms energy: -419.080297 where: bonds (distance) C4'-P energy: -119.710 bonds (distance) P-C4' energy: -140.743 flat angles C4'-P-C4' energy: -104.257 flat angles P-C4'-P energy: -68.011 tors. eta vs tors. theta energy: 13.640 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: 1, replica: 6 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -2915.470720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.470720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.470720 (E_RNA) where: Base-Base interactions energy: -2044.377 where: short stacking energy: -851.374 Base-Backbone interact. energy: -3.066 local terms energy: -868.027420 where: bonds (distance) C4'-P energy: -146.853 bonds (distance) P-C4' energy: -160.257 flat angles C4'-P-C4' energy: -189.526 flat angles P-C4'-P energy: -123.626 tors. eta vs tors. theta energy: -247.766 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: 202 Temperature: 0.950000 Total energy: -2741.405754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.405754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.405754 (E_RNA) where: Base-Base interactions energy: -1883.736 where: short stacking energy: -831.976 Base-Backbone interact. energy: -3.970 local terms energy: -853.700193 where: bonds (distance) C4'-P energy: -149.653 bonds (distance) P-C4' energy: -160.378 flat angles C4'-P-C4' energy: -183.588 flat angles P-C4'-P energy: -124.253 tors. eta vs tors. theta energy: -235.828 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: 3, replica: 10 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -2685.539055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.539055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.539055 (E_RNA) where: Base-Base interactions energy: -1869.379 where: short stacking energy: -803.095 Base-Backbone interact. energy: -6.155 local terms energy: -810.004850 where: bonds (distance) C4'-P energy: -139.744 bonds (distance) P-C4' energy: -156.312 flat angles C4'-P-C4' energy: -164.649 flat angles P-C4'-P energy: -129.391 tors. eta vs tors. theta energy: -219.909 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: 7 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -2505.212289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.212289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.212289 (E_RNA) where: Base-Base interactions energy: -1700.642 where: short stacking energy: -735.161 Base-Backbone interact. energy: 4.629 local terms energy: -809.199888 where: bonds (distance) C4'-P energy: -162.604 bonds (distance) P-C4' energy: -149.579 flat angles C4'-P-C4' energy: -161.132 flat angles P-C4'-P energy: -124.059 tors. eta vs tors. theta energy: -211.825 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: 202 Temperature: 1.100000 Total energy: -2456.481488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.481488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.481488 (E_RNA) where: Base-Base interactions energy: -1728.234 where: short stacking energy: -760.881 Base-Backbone interact. energy: -5.003 local terms energy: -723.244759 where: bonds (distance) C4'-P energy: -126.738 bonds (distance) P-C4' energy: -135.055 flat angles C4'-P-C4' energy: -157.074 flat angles P-C4'-P energy: -105.629 tors. eta vs tors. theta energy: -198.748 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: 5 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -2156.094896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.094896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.094896 (E_RNA) where: Base-Base interactions energy: -1483.884 where: short stacking energy: -633.013 Base-Backbone interact. energy: -0.076 local terms energy: -672.135337 where: bonds (distance) C4'-P energy: -136.659 bonds (distance) P-C4' energy: -115.386 flat angles C4'-P-C4' energy: -157.117 flat angles P-C4'-P energy: -102.318 tors. eta vs tors. theta energy: -160.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1943.165211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.165211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.165211 (E_RNA) where: Base-Base interactions energy: -1305.012 where: short stacking energy: -580.478 Base-Backbone interact. energy: -0.736 local terms energy: -637.417765 where: bonds (distance) C4'-P energy: -131.666 bonds (distance) P-C4' energy: -141.538 flat angles C4'-P-C4' energy: -130.206 flat angles P-C4'-P energy: -93.212 tors. eta vs tors. theta energy: -140.797 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: 2 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1538.928079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.928079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.928079 (E_RNA) where: Base-Base interactions energy: -995.306 where: short stacking energy: -472.265 Base-Backbone interact. energy: -2.386 local terms energy: -541.235734 where: bonds (distance) C4'-P energy: -116.655 bonds (distance) P-C4' energy: -139.258 flat angles C4'-P-C4' energy: -117.860 flat angles P-C4'-P energy: -75.236 tors. eta vs tors. theta energy: -92.228 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: 9, replica: 1 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -1147.503924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.503924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.503924 (E_RNA) where: Base-Base interactions energy: -676.570 where: short stacking energy: -344.715 Base-Backbone interact. energy: 7.380 local terms energy: -478.313884 where: bonds (distance) C4'-P energy: -134.715 bonds (distance) P-C4' energy: -114.015 flat angles C4'-P-C4' energy: -107.437 flat angles P-C4'-P energy: -91.930 tors. eta vs tors. theta energy: -30.217 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: 3 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -701.624699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.624699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.624699 (E_RNA) where: Base-Base interactions energy: -280.350 where: short stacking energy: -231.110 Base-Backbone interact. energy: 7.798 local terms energy: -429.072952 where: bonds (distance) C4'-P energy: -124.618 bonds (distance) P-C4' energy: -120.176 flat angles C4'-P-C4' energy: -116.817 flat angles P-C4'-P energy: -78.212 tors. eta vs tors. theta energy: 10.750 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: 6 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -2914.302580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.302580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.302580 (E_RNA) where: Base-Base interactions energy: -2033.474 where: short stacking energy: -841.038 Base-Backbone interact. energy: -1.370 local terms energy: -879.458605 where: bonds (distance) C4'-P energy: -162.912 bonds (distance) P-C4' energy: -159.739 flat angles C4'-P-C4' energy: -189.136 flat angles P-C4'-P energy: -122.592 tors. eta vs tors. theta energy: -245.080 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: 10 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2741.991437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.991437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.991437 (E_RNA) where: Base-Base interactions energy: -1899.287 where: short stacking energy: -830.844 Base-Backbone interact. energy: -3.582 local terms energy: -839.122654 where: bonds (distance) C4'-P energy: -155.717 bonds (distance) P-C4' energy: -159.363 flat angles C4'-P-C4' energy: -169.181 flat angles P-C4'-P energy: -114.115 tors. eta vs tors. theta energy: -240.748 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: 8 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2699.015959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.015959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.015959 (E_RNA) where: Base-Base interactions energy: -1879.635 where: short stacking energy: -797.752 Base-Backbone interact. energy: -4.597 local terms energy: -814.784007 where: bonds (distance) C4'-P energy: -151.256 bonds (distance) P-C4' energy: -135.810 flat angles C4'-P-C4' energy: -180.661 flat angles P-C4'-P energy: -120.400 tors. eta vs tors. theta energy: -226.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -2558.844186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.844186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.844186 (E_RNA) where: Base-Base interactions energy: -1766.053 where: short stacking energy: -779.645 Base-Backbone interact. energy: -0.064 local terms energy: -792.727466 where: bonds (distance) C4'-P energy: -157.141 bonds (distance) P-C4' energy: -140.782 flat angles C4'-P-C4' energy: -173.884 flat angles P-C4'-P energy: -110.233 tors. eta vs tors. theta energy: -210.688 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: 4 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -2445.337991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.337991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.337991 (E_RNA) where: Base-Base interactions energy: -1666.022 where: short stacking energy: -705.754 Base-Backbone interact. energy: -5.319 local terms energy: -773.997759 where: bonds (distance) C4'-P energy: -154.262 bonds (distance) P-C4' energy: -147.337 flat angles C4'-P-C4' energy: -175.843 flat angles P-C4'-P energy: -98.067 tors. eta vs tors. theta energy: -198.487 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: 6, replica: 5 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -2176.550285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.550285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.550285 (E_RNA) where: Base-Base interactions energy: -1520.581 where: short stacking energy: -646.525 Base-Backbone interact. energy: 5.969 local terms energy: -661.937711 where: bonds (distance) C4'-P energy: -120.542 bonds (distance) P-C4' energy: -134.884 flat angles C4'-P-C4' energy: -163.708 flat angles P-C4'-P energy: -86.950 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: 7, replica: 9 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1938.979363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.979363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.979363 (E_RNA) where: Base-Base interactions energy: -1318.478 where: short stacking energy: -576.926 Base-Backbone interact. energy: -1.615 local terms energy: -618.885651 where: bonds (distance) C4'-P energy: -116.834 bonds (distance) P-C4' energy: -128.948 flat angles C4'-P-C4' energy: -157.913 flat angles P-C4'-P energy: -84.463 tors. eta vs tors. theta energy: -130.727 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: 8, replica: 2 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1572.569783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.569783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.569783 (E_RNA) where: Base-Base interactions energy: -990.655 where: short stacking energy: -471.017 Base-Backbone interact. energy: 3.774 local terms energy: -585.688729 where: bonds (distance) C4'-P energy: -125.973 bonds (distance) P-C4' energy: -128.717 flat angles C4'-P-C4' energy: -144.299 flat angles P-C4'-P energy: -85.489 tors. eta vs tors. theta energy: -101.211 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: 1 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -1138.750440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.750440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.750440 (E_RNA) where: Base-Base interactions energy: -665.868 where: short stacking energy: -341.262 Base-Backbone interact. energy: -0.252 local terms energy: -472.630509 where: bonds (distance) C4'-P energy: -125.633 bonds (distance) P-C4' energy: -144.379 flat angles C4'-P-C4' energy: -113.147 flat angles P-C4'-P energy: -72.180 tors. eta vs tors. theta energy: -17.291 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: 3 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -789.545727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.545727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.545727 (E_RNA) where: Base-Base interactions energy: -361.936 where: short stacking energy: -243.776 Base-Backbone interact. energy: 5.090 local terms energy: -432.700115 where: bonds (distance) C4'-P energy: -120.003 bonds (distance) P-C4' energy: -113.846 flat angles C4'-P-C4' energy: -123.574 flat angles P-C4'-P energy: -66.483 tors. eta vs tors. theta energy: -8.794 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: 6 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -2929.617281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.617281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.617281 (E_RNA) where: Base-Base interactions energy: -2031.506 where: short stacking energy: -848.331 Base-Backbone interact. energy: -4.925 local terms energy: -893.185812 where: bonds (distance) C4'-P energy: -163.952 bonds (distance) P-C4' energy: -154.782 flat angles C4'-P-C4' energy: -191.260 flat angles P-C4'-P energy: -133.984 tors. eta vs tors. theta energy: -249.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -2739.098085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.098085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.098085 (E_RNA) where: Base-Base interactions energy: -1916.238 where: short stacking energy: -842.395 Base-Backbone interact. energy: -3.413 local terms energy: -819.447283 where: bonds (distance) C4'-P energy: -138.638 bonds (distance) P-C4' energy: -157.882 flat angles C4'-P-C4' energy: -184.615 flat angles P-C4'-P energy: -102.759 tors. eta vs tors. theta energy: -235.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2711.833182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.833182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.833182 (E_RNA) where: Base-Base interactions energy: -1912.638 where: short stacking energy: -781.708 Base-Backbone interact. energy: -4.341 local terms energy: -794.854058 where: bonds (distance) C4'-P energy: -153.086 bonds (distance) P-C4' energy: -134.843 flat angles C4'-P-C4' energy: -167.315 flat angles P-C4'-P energy: -123.771 tors. eta vs tors. theta energy: -215.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -2580.316637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.316637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.316637 (E_RNA) where: Base-Base interactions energy: -1774.731 where: short stacking energy: -775.683 Base-Backbone interact. energy: -2.507 local terms energy: -803.079467 where: bonds (distance) C4'-P energy: -142.033 bonds (distance) P-C4' energy: -163.793 flat angles C4'-P-C4' energy: -171.222 flat angles P-C4'-P energy: -107.326 tors. eta vs tors. theta energy: -218.705 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: 5, replica: 4 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -2456.708202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.708202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.708202 (E_RNA) where: Base-Base interactions energy: -1668.025 where: short stacking energy: -711.775 Base-Backbone interact. energy: -1.871 local terms energy: -786.812031 where: bonds (distance) C4'-P energy: -163.508 bonds (distance) P-C4' energy: -160.326 flat angles C4'-P-C4' energy: -163.884 flat angles P-C4'-P energy: -101.125 tors. eta vs tors. theta energy: -197.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -2234.918711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.918711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.918711 (E_RNA) where: Base-Base interactions energy: -1514.598 where: short stacking energy: -642.630 Base-Backbone interact. energy: -2.770 local terms energy: -717.550251 where: bonds (distance) C4'-P energy: -122.070 bonds (distance) P-C4' energy: -162.777 flat angles C4'-P-C4' energy: -153.183 flat angles P-C4'-P energy: -118.477 tors. eta vs tors. theta energy: -161.043 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: 204 Temperature: 1.200000 Total energy: -1954.382188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.382188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.382188 (E_RNA) where: Base-Base interactions energy: -1279.073 where: short stacking energy: -603.821 Base-Backbone interact. energy: 1.247 local terms energy: -676.556033 where: bonds (distance) C4'-P energy: -135.871 bonds (distance) P-C4' energy: -147.420 flat angles C4'-P-C4' energy: -157.244 flat angles P-C4'-P energy: -82.112 tors. eta vs tors. theta energy: -153.908 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: 2 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1649.155041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.155041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.155041 (E_RNA) where: Base-Base interactions energy: -1054.223 where: short stacking energy: -464.445 Base-Backbone interact. energy: -2.345 local terms energy: -592.587022 where: bonds (distance) C4'-P energy: -136.567 bonds (distance) P-C4' energy: -142.998 flat angles C4'-P-C4' energy: -137.755 flat angles P-C4'-P energy: -80.605 tors. eta vs tors. theta energy: -94.663 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: 9, replica: 1 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -1149.398394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.398394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.398394 (E_RNA) where: Base-Base interactions energy: -686.399 where: short stacking energy: -340.974 Base-Backbone interact. energy: 0.614 local terms energy: -463.612470 where: bonds (distance) C4'-P energy: -113.253 bonds (distance) P-C4' energy: -141.595 flat angles C4'-P-C4' energy: -116.050 flat angles P-C4'-P energy: -66.914 tors. eta vs tors. theta energy: -25.799 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: 10, replica: 3 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -710.201566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.201566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.201566 (E_RNA) where: Base-Base interactions energy: -285.576 where: short stacking energy: -203.933 Base-Backbone interact. energy: 2.245 local terms energy: -426.870201 where: bonds (distance) C4'-P energy: -122.917 bonds (distance) P-C4' energy: -121.117 flat angles C4'-P-C4' energy: -123.884 flat angles P-C4'-P energy: -62.073 tors. eta vs tors. theta energy: 3.121 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: 1, replica: 6 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -2900.199316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.199316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.199316 (E_RNA) where: Base-Base interactions energy: -2042.933 where: short stacking energy: -846.837 Base-Backbone interact. energy: -1.105 local terms energy: -856.161232 where: bonds (distance) C4'-P energy: -146.733 bonds (distance) P-C4' energy: -168.634 flat angles C4'-P-C4' energy: -182.751 flat angles P-C4'-P energy: -125.532 tors. eta vs tors. theta energy: -232.512 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: 2, replica: 10 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2745.745753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.745753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.745753 (E_RNA) where: Base-Base interactions energy: -1889.262 where: short stacking energy: -807.418 Base-Backbone interact. energy: -1.318 local terms energy: -855.165625 where: bonds (distance) C4'-P energy: -168.172 bonds (distance) P-C4' energy: -168.854 flat angles C4'-P-C4' energy: -184.725 flat angles P-C4'-P energy: -101.012 tors. eta vs tors. theta energy: -232.402 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: 8 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2693.353117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.353117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.353117 (E_RNA) where: Base-Base interactions energy: -1863.454 where: short stacking energy: -803.605 Base-Backbone interact. energy: -5.919 local terms energy: -823.980474 where: bonds (distance) C4'-P energy: -144.560 bonds (distance) P-C4' energy: -157.990 flat angles C4'-P-C4' energy: -167.929 flat angles P-C4'-P energy: -120.088 tors. eta vs tors. theta energy: -233.413 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: 7 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -2613.024906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.024906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.024906 (E_RNA) where: Base-Base interactions energy: -1797.841 where: short stacking energy: -782.722 Base-Backbone interact. energy: 2.870 local terms energy: -818.054185 where: bonds (distance) C4'-P energy: -144.923 bonds (distance) P-C4' energy: -153.593 flat angles C4'-P-C4' energy: -176.152 flat angles P-C4'-P energy: -115.185 tors. eta vs tors. theta energy: -228.202 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: 5, replica: 4 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -2415.710266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.710266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.710266 (E_RNA) where: Base-Base interactions energy: -1661.361 where: short stacking energy: -684.367 Base-Backbone interact. energy: -3.573 local terms energy: -750.775565 where: bonds (distance) C4'-P energy: -130.406 bonds (distance) P-C4' energy: -155.540 flat angles C4'-P-C4' energy: -167.208 flat angles P-C4'-P energy: -102.849 tors. eta vs tors. theta energy: -194.774 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: 205 Temperature: 1.150000 Total energy: -2218.764392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.764392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.764392 (E_RNA) where: Base-Base interactions energy: -1534.157 where: short stacking energy: -650.218 Base-Backbone interact. energy: 0.038 local terms energy: -684.645159 where: bonds (distance) C4'-P energy: -135.748 bonds (distance) P-C4' energy: -137.831 flat angles C4'-P-C4' energy: -169.932 flat angles P-C4'-P energy: -92.025 tors. eta vs tors. theta energy: -149.109 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: 7, replica: 9 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1959.574611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.574611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.574611 (E_RNA) where: Base-Base interactions energy: -1321.780 where: short stacking energy: -585.005 Base-Backbone interact. energy: -1.564 local terms energy: -636.230867 where: bonds (distance) C4'-P energy: -131.859 bonds (distance) P-C4' energy: -129.873 flat angles C4'-P-C4' energy: -139.778 flat angles P-C4'-P energy: -92.511 tors. eta vs tors. theta energy: -142.210 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: 8, replica: 2 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1644.443051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.443051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.443051 (E_RNA) where: Base-Base interactions energy: -1071.303 where: short stacking energy: -503.118 Base-Backbone interact. energy: -4.040 local terms energy: -569.099789 where: bonds (distance) C4'-P energy: -106.044 bonds (distance) P-C4' energy: -123.248 flat angles C4'-P-C4' energy: -149.545 flat angles P-C4'-P energy: -86.580 tors. eta vs tors. theta energy: -103.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -1166.274572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.274572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.274572 (E_RNA) where: Base-Base interactions energy: -677.004 where: short stacking energy: -328.405 Base-Backbone interact. energy: 5.686 local terms energy: -494.956258 where: bonds (distance) C4'-P energy: -118.639 bonds (distance) P-C4' energy: -144.989 flat angles C4'-P-C4' energy: -141.881 flat angles P-C4'-P energy: -76.991 tors. eta vs tors. theta energy: -12.457 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: 10, replica: 3 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -727.235177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.235177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.235177 (E_RNA) where: Base-Base interactions energy: -333.244 where: short stacking energy: -211.668 Base-Backbone interact. energy: 5.790 local terms energy: -399.781037 where: bonds (distance) C4'-P energy: -113.701 bonds (distance) P-C4' energy: -145.882 flat angles C4'-P-C4' energy: -115.353 flat angles P-C4'-P energy: -48.063 tors. eta vs tors. theta energy: 23.218 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: 1, replica: 6 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -2904.914136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.914136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.914136 (E_RNA) where: Base-Base interactions energy: -2049.397 where: short stacking energy: -867.150 Base-Backbone interact. energy: -5.006 local terms energy: -850.511402 where: bonds (distance) C4'-P energy: -143.347 bonds (distance) P-C4' energy: -173.947 flat angles C4'-P-C4' energy: -174.886 flat angles P-C4'-P energy: -123.197 tors. eta vs tors. theta energy: -235.135 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: 2, replica: 10 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -2712.272755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.272755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.272755 (E_RNA) where: Base-Base interactions energy: -1898.816 where: short stacking energy: -830.700 Base-Backbone interact. energy: -5.182 local terms energy: -808.275080 where: bonds (distance) C4'-P energy: -141.627 bonds (distance) P-C4' energy: -150.190 flat angles C4'-P-C4' energy: -175.095 flat angles P-C4'-P energy: -117.275 tors. eta vs tors. theta energy: -224.089 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: 8 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -2683.852474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.852474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.852474 (E_RNA) where: Base-Base interactions energy: -1880.194 where: short stacking energy: -796.496 Base-Backbone interact. energy: -3.060 local terms energy: -800.597827 where: bonds (distance) C4'-P energy: -138.194 bonds (distance) P-C4' energy: -154.053 flat angles C4'-P-C4' energy: -171.853 flat angles P-C4'-P energy: -116.919 tors. eta vs tors. theta energy: -219.579 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: 4, replica: 7 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -2567.537717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.537717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.537717 (E_RNA) where: Base-Base interactions energy: -1804.776 where: short stacking energy: -795.193 Base-Backbone interact. energy: -2.963 local terms energy: -759.798738 where: bonds (distance) C4'-P energy: -129.832 bonds (distance) P-C4' energy: -130.020 flat angles C4'-P-C4' energy: -171.427 flat angles P-C4'-P energy: -114.901 tors. eta vs tors. theta energy: -213.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -2453.539035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.539035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.539035 (E_RNA) where: Base-Base interactions energy: -1690.227 where: short stacking energy: -731.588 Base-Backbone interact. energy: 3.328 local terms energy: -766.639360 where: bonds (distance) C4'-P energy: -147.133 bonds (distance) P-C4' energy: -148.367 flat angles C4'-P-C4' energy: -169.489 flat angles P-C4'-P energy: -98.574 tors. eta vs tors. theta energy: -203.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -2158.295210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.295210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.295210 (E_RNA) where: Base-Base interactions energy: -1480.697 where: short stacking energy: -628.683 Base-Backbone interact. energy: -0.464 local terms energy: -677.134119 where: bonds (distance) C4'-P energy: -136.879 bonds (distance) P-C4' energy: -133.349 flat angles C4'-P-C4' energy: -147.367 flat angles P-C4'-P energy: -106.870 tors. eta vs tors. theta energy: -152.669 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: 9 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1958.261200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.261200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.261200 (E_RNA) where: Base-Base interactions energy: -1316.031 where: short stacking energy: -605.497 Base-Backbone interact. energy: 0.759 local terms energy: -642.989865 where: bonds (distance) C4'-P energy: -139.752 bonds (distance) P-C4' energy: -136.548 flat angles C4'-P-C4' energy: -149.353 flat angles P-C4'-P energy: -90.681 tors. eta vs tors. theta energy: -126.655 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: 8, replica: 2 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1622.344573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.344573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.344573 (E_RNA) where: Base-Base interactions energy: -1091.441 where: short stacking energy: -517.044 Base-Backbone interact. energy: 3.880 local terms energy: -534.783975 where: bonds (distance) C4'-P energy: -97.947 bonds (distance) P-C4' energy: -157.434 flat angles C4'-P-C4' energy: -130.949 flat angles P-C4'-P energy: -73.460 tors. eta vs tors. theta energy: -74.994 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: 1 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -1195.138045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.138045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.138045 (E_RNA) where: Base-Base interactions energy: -709.997 where: short stacking energy: -360.356 Base-Backbone interact. energy: 1.199 local terms energy: -486.339807 where: bonds (distance) C4'-P energy: -115.821 bonds (distance) P-C4' energy: -118.786 flat angles C4'-P-C4' energy: -136.936 flat angles P-C4'-P energy: -76.035 tors. eta vs tors. theta energy: -38.762 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: 3 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -711.261956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.261956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.261956 (E_RNA) where: Base-Base interactions energy: -269.347 where: short stacking energy: -205.023 Base-Backbone interact. energy: 1.229 local terms energy: -443.144000 where: bonds (distance) C4'-P energy: -128.010 bonds (distance) P-C4' energy: -116.667 flat angles C4'-P-C4' energy: -122.149 flat angles P-C4'-P energy: -72.845 tors. eta vs tors. theta energy: -3.473 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: 1, replica: 6 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -2914.480484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.480484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.480484 (E_RNA) where: Base-Base interactions energy: -2034.337 where: short stacking energy: -868.834 Base-Backbone interact. energy: -0.863 local terms energy: -879.279809 where: bonds (distance) C4'-P energy: -155.491 bonds (distance) P-C4' energy: -148.257 flat angles C4'-P-C4' energy: -193.254 flat angles P-C4'-P energy: -135.901 tors. eta vs tors. theta energy: -246.377 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: 2, replica: 10 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2742.669176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.669176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.669176 (E_RNA) where: Base-Base interactions energy: -1922.506 where: short stacking energy: -822.324 Base-Backbone interact. energy: -0.828 local terms energy: -819.335169 where: bonds (distance) C4'-P energy: -142.359 bonds (distance) P-C4' energy: -157.484 flat angles C4'-P-C4' energy: -188.727 flat angles P-C4'-P energy: -115.759 tors. eta vs tors. theta energy: -215.005 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: 8 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2672.896359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.896359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.896359 (E_RNA) where: Base-Base interactions energy: -1853.577 where: short stacking energy: -788.627 Base-Backbone interact. energy: -0.405 local terms energy: -818.914137 where: bonds (distance) C4'-P energy: -146.029 bonds (distance) P-C4' energy: -165.797 flat angles C4'-P-C4' energy: -176.312 flat angles P-C4'-P energy: -104.525 tors. eta vs tors. theta energy: -226.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -2557.214234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.214234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.214234 (E_RNA) where: Base-Base interactions energy: -1787.605 where: short stacking energy: -798.895 Base-Backbone interact. energy: -1.112 local terms energy: -768.497903 where: bonds (distance) C4'-P energy: -154.411 bonds (distance) P-C4' energy: -134.578 flat angles C4'-P-C4' energy: -155.193 flat angles P-C4'-P energy: -113.080 tors. eta vs tors. theta energy: -211.236 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: 4 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -2449.371504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.371504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.371504 (E_RNA) where: Base-Base interactions energy: -1712.148 where: short stacking energy: -707.049 Base-Backbone interact. energy: -2.107 local terms energy: -735.116785 where: bonds (distance) C4'-P energy: -124.340 bonds (distance) P-C4' energy: -148.781 flat angles C4'-P-C4' energy: -161.732 flat angles P-C4'-P energy: -108.488 tors. eta vs tors. theta energy: -191.775 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: 6, replica: 5 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -2166.527532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.527532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.527532 (E_RNA) where: Base-Base interactions energy: -1446.220 where: short stacking energy: -630.695 Base-Backbone interact. energy: 0.145 local terms energy: -720.452987 where: bonds (distance) C4'-P energy: -142.871 bonds (distance) P-C4' energy: -147.401 flat angles C4'-P-C4' energy: -166.188 flat angles P-C4'-P energy: -93.146 tors. eta vs tors. theta energy: -170.847 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: 207 Temperature: 1.200000 Total energy: -1864.497301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.497301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.497301 (E_RNA) where: Base-Base interactions energy: -1235.186 where: short stacking energy: -542.845 Base-Backbone interact. energy: -3.393 local terms energy: -625.917767 where: bonds (distance) C4'-P energy: -145.440 bonds (distance) P-C4' energy: -141.430 flat angles C4'-P-C4' energy: -136.438 flat angles P-C4'-P energy: -82.778 tors. eta vs tors. theta energy: -119.832 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: 2 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1601.060843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.060843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.060843 (E_RNA) where: Base-Base interactions energy: -1019.627 where: short stacking energy: -501.340 Base-Backbone interact. energy: 0.562 local terms energy: -581.995151 where: bonds (distance) C4'-P energy: -117.924 bonds (distance) P-C4' energy: -135.279 flat angles C4'-P-C4' energy: -164.287 flat angles P-C4'-P energy: -70.104 tors. eta vs tors. theta energy: -94.402 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: 9, replica: 1 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -1209.550960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.550960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.550960 (E_RNA) where: Base-Base interactions energy: -674.611 where: short stacking energy: -344.271 Base-Backbone interact. energy: 1.773 local terms energy: -536.713081 where: bonds (distance) C4'-P energy: -138.314 bonds (distance) P-C4' energy: -141.446 flat angles C4'-P-C4' energy: -132.046 flat angles P-C4'-P energy: -80.896 tors. eta vs tors. theta energy: -44.011 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: 10, replica: 3 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -720.309589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.309589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.309589 (E_RNA) where: Base-Base interactions energy: -298.801 where: short stacking energy: -222.797 Base-Backbone interact. energy: 3.714 local terms energy: -425.222645 where: bonds (distance) C4'-P energy: -128.959 bonds (distance) P-C4' energy: -145.114 flat angles C4'-P-C4' energy: -85.647 flat angles P-C4'-P energy: -82.147 tors. eta vs tors. theta energy: 16.644 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: 6 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -2931.970148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.970148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.970148 (E_RNA) where: Base-Base interactions energy: -2065.316 where: short stacking energy: -844.031 Base-Backbone interact. energy: -5.257 local terms energy: -861.396805 where: bonds (distance) C4'-P energy: -158.658 bonds (distance) P-C4' energy: -160.468 flat angles C4'-P-C4' energy: -178.130 flat angles P-C4'-P energy: -123.588 tors. eta vs tors. theta energy: -240.553 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: 10 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2730.397431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.397431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.397431 (E_RNA) where: Base-Base interactions energy: -1910.817 where: short stacking energy: -810.759 Base-Backbone interact. energy: -1.866 local terms energy: -817.714408 where: bonds (distance) C4'-P energy: -150.083 bonds (distance) P-C4' energy: -149.266 flat angles C4'-P-C4' energy: -176.771 flat angles P-C4'-P energy: -117.181 tors. eta vs tors. theta energy: -224.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -2651.752382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.752382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.752382 (E_RNA) where: Base-Base interactions energy: -1844.701 where: short stacking energy: -795.295 Base-Backbone interact. energy: -0.989 local terms energy: -806.061780 where: bonds (distance) C4'-P energy: -149.546 bonds (distance) P-C4' energy: -137.564 flat angles C4'-P-C4' energy: -175.133 flat angles P-C4'-P energy: -123.748 tors. eta vs tors. theta energy: -220.070 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: 8 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -2628.852305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.852305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.852305 (E_RNA) where: Base-Base interactions energy: -1831.830 where: short stacking energy: -785.288 Base-Backbone interact. energy: -4.213 local terms energy: -792.808436 where: bonds (distance) C4'-P energy: -135.801 bonds (distance) P-C4' energy: -156.419 flat angles C4'-P-C4' energy: -166.151 flat angles P-C4'-P energy: -115.940 tors. eta vs tors. theta energy: -218.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -2427.076619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.076619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.076619 (E_RNA) where: Base-Base interactions energy: -1691.992 where: short stacking energy: -719.968 Base-Backbone interact. energy: -3.237 local terms energy: -731.847893 where: bonds (distance) C4'-P energy: -114.504 bonds (distance) P-C4' energy: -152.834 flat angles C4'-P-C4' energy: -159.242 flat angles P-C4'-P energy: -114.347 tors. eta vs tors. theta energy: -190.921 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: 6, replica: 5 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -2181.071767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.071767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.071767 (E_RNA) where: Base-Base interactions energy: -1466.422 where: short stacking energy: -638.512 Base-Backbone interact. energy: -0.788 local terms energy: -713.861329 where: bonds (distance) C4'-P energy: -136.486 bonds (distance) P-C4' energy: -151.189 flat angles C4'-P-C4' energy: -165.064 flat angles P-C4'-P energy: -91.637 tors. eta vs tors. theta energy: -169.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1942.706868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.706868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.706868 (E_RNA) where: Base-Base interactions energy: -1306.988 where: short stacking energy: -564.670 Base-Backbone interact. energy: -2.086 local terms energy: -633.632435 where: bonds (distance) C4'-P energy: -122.711 bonds (distance) P-C4' energy: -147.963 flat angles C4'-P-C4' energy: -144.452 flat angles P-C4'-P energy: -87.753 tors. eta vs tors. theta energy: -130.754 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: 8, replica: 2 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1606.339000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.339000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.339000 (E_RNA) where: Base-Base interactions energy: -1049.165 where: short stacking energy: -492.742 Base-Backbone interact. energy: -2.146 local terms energy: -555.028285 where: bonds (distance) C4'-P energy: -94.864 bonds (distance) P-C4' energy: -140.478 flat angles C4'-P-C4' energy: -137.317 flat angles P-C4'-P energy: -93.076 tors. eta vs tors. theta energy: -89.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -1199.354692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.354692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.354692 (E_RNA) where: Base-Base interactions energy: -697.494 where: short stacking energy: -368.464 Base-Backbone interact. energy: 0.137 local terms energy: -501.998527 where: bonds (distance) C4'-P energy: -129.566 bonds (distance) P-C4' energy: -139.106 flat angles C4'-P-C4' energy: -122.837 flat angles P-C4'-P energy: -71.797 tors. eta vs tors. theta energy: -38.693 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: 3 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -715.700053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.700053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.700053 (E_RNA) where: Base-Base interactions energy: -311.027 where: short stacking energy: -202.205 Base-Backbone interact. energy: 0.619 local terms energy: -405.291891 where: bonds (distance) C4'-P energy: -132.584 bonds (distance) P-C4' energy: -112.090 flat angles C4'-P-C4' energy: -113.632 flat angles P-C4'-P energy: -57.866 tors. eta vs tors. theta energy: 10.880 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: 6 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -2919.059924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.059924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.059924 (E_RNA) where: Base-Base interactions energy: -2042.652 where: short stacking energy: -874.065 Base-Backbone interact. energy: -1.981 local terms energy: -874.427348 where: bonds (distance) C4'-P energy: -148.992 bonds (distance) P-C4' energy: -163.630 flat angles C4'-P-C4' energy: -186.237 flat angles P-C4'-P energy: -130.042 tors. eta vs tors. theta energy: -245.526 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: 2, replica: 10 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2750.570553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.570553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.570553 (E_RNA) where: Base-Base interactions energy: -1880.206 where: short stacking energy: -811.773 Base-Backbone interact. energy: -0.346 local terms energy: -870.018893 where: bonds (distance) C4'-P energy: -165.536 bonds (distance) P-C4' energy: -176.438 flat angles C4'-P-C4' energy: -168.448 flat angles P-C4'-P energy: -120.564 tors. eta vs tors. theta energy: -239.032 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: 3, replica: 7 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2677.569497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.569497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.569497 (E_RNA) where: Base-Base interactions energy: -1878.798 where: short stacking energy: -802.844 Base-Backbone interact. energy: -3.120 local terms energy: -795.651636 where: bonds (distance) C4'-P energy: -138.532 bonds (distance) P-C4' energy: -152.721 flat angles C4'-P-C4' energy: -165.382 flat angles P-C4'-P energy: -114.912 tors. eta vs tors. theta energy: -224.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -2630.444969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.444969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.444969 (E_RNA) where: Base-Base interactions energy: -1849.428 where: short stacking energy: -767.273 Base-Backbone interact. energy: -2.775 local terms energy: -778.242085 where: bonds (distance) C4'-P energy: -145.630 bonds (distance) P-C4' energy: -148.470 flat angles C4'-P-C4' energy: -170.338 flat angles P-C4'-P energy: -100.551 tors. eta vs tors. theta energy: -213.253 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: 5, replica: 4 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -2400.683767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.683767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.683767 (E_RNA) where: Base-Base interactions energy: -1664.126 where: short stacking energy: -705.113 Base-Backbone interact. energy: -5.004 local terms energy: -731.554083 where: bonds (distance) C4'-P energy: -136.817 bonds (distance) P-C4' energy: -151.361 flat angles C4'-P-C4' energy: -162.686 flat angles P-C4'-P energy: -101.647 tors. eta vs tors. theta energy: -179.043 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: 5 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -2176.465087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.465087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.465087 (E_RNA) where: Base-Base interactions energy: -1486.325 where: short stacking energy: -642.656 Base-Backbone interact. energy: -0.347 local terms energy: -689.792254 where: bonds (distance) C4'-P energy: -132.305 bonds (distance) P-C4' energy: -147.784 flat angles C4'-P-C4' energy: -143.341 flat angles P-C4'-P energy: -94.723 tors. eta vs tors. theta energy: -171.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -2036.541603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.541603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.541603 (E_RNA) where: Base-Base interactions energy: -1399.102 where: short stacking energy: -604.735 Base-Backbone interact. energy: 3.103 local terms energy: -640.542893 where: bonds (distance) C4'-P energy: -129.550 bonds (distance) P-C4' energy: -129.282 flat angles C4'-P-C4' energy: -134.002 flat angles P-C4'-P energy: -95.710 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: 8, replica: 2 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1620.329542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.329542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.329542 (E_RNA) where: Base-Base interactions energy: -1061.888 where: short stacking energy: -478.365 Base-Backbone interact. energy: 5.443 local terms energy: -563.884847 where: bonds (distance) C4'-P energy: -126.182 bonds (distance) P-C4' energy: -126.642 flat angles C4'-P-C4' energy: -135.930 flat angles P-C4'-P energy: -87.018 tors. eta vs tors. theta energy: -88.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -1240.225662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.225662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.225662 (E_RNA) where: Base-Base interactions energy: -725.274 where: short stacking energy: -337.702 Base-Backbone interact. energy: 3.369 local terms energy: -518.320741 where: bonds (distance) C4'-P energy: -144.430 bonds (distance) P-C4' energy: -154.643 flat angles C4'-P-C4' energy: -121.455 flat angles P-C4'-P energy: -76.314 tors. eta vs tors. theta energy: -21.479 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: 10, replica: 3 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -685.782434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.782434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.782434 (E_RNA) where: Base-Base interactions energy: -290.873 where: short stacking energy: -204.612 Base-Backbone interact. energy: 6.801 local terms energy: -401.710575 where: bonds (distance) C4'-P energy: -125.745 bonds (distance) P-C4' energy: -129.081 flat angles C4'-P-C4' energy: -103.910 flat angles P-C4'-P energy: -60.110 tors. eta vs tors. theta energy: 17.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -2893.504784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.504784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.504784 (E_RNA) where: Base-Base interactions energy: -2020.801 where: short stacking energy: -846.533 Base-Backbone interact. energy: -5.100 local terms energy: -867.603873 where: bonds (distance) C4'-P energy: -148.854 bonds (distance) P-C4' energy: -168.111 flat angles C4'-P-C4' energy: -188.458 flat angles P-C4'-P energy: -123.982 tors. eta vs tors. theta energy: -238.199 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: 10 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2745.423900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.423900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.423900 (E_RNA) where: Base-Base interactions energy: -1899.998 where: short stacking energy: -829.715 Base-Backbone interact. energy: 3.606 local terms energy: -849.032182 where: bonds (distance) C4'-P energy: -148.239 bonds (distance) P-C4' energy: -171.060 flat angles C4'-P-C4' energy: -182.995 flat angles P-C4'-P energy: -110.035 tors. eta vs tors. theta energy: -236.703 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: 7 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -2656.369690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.369690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.369690 (E_RNA) where: Base-Base interactions energy: -1848.773 where: short stacking energy: -818.976 Base-Backbone interact. energy: -0.810 local terms energy: -806.786340 where: bonds (distance) C4'-P energy: -155.354 bonds (distance) P-C4' energy: -146.352 flat angles C4'-P-C4' energy: -176.428 flat angles P-C4'-P energy: -98.339 tors. eta vs tors. theta energy: -230.314 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: 8 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -2603.714272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.714272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.714272 (E_RNA) where: Base-Base interactions energy: -1771.656 where: short stacking energy: -759.900 Base-Backbone interact. energy: -0.017 local terms energy: -832.041256 where: bonds (distance) C4'-P energy: -148.251 bonds (distance) P-C4' energy: -164.367 flat angles C4'-P-C4' energy: -182.652 flat angles P-C4'-P energy: -111.187 tors. eta vs tors. theta energy: -225.585 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: 5, replica: 4 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -2369.074999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.074999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.074999 (E_RNA) where: Base-Base interactions energy: -1644.126 where: short stacking energy: -715.806 Base-Backbone interact. energy: -3.939 local terms energy: -721.009888 where: bonds (distance) C4'-P energy: -147.698 bonds (distance) P-C4' energy: -130.459 flat angles C4'-P-C4' energy: -147.734 flat angles P-C4'-P energy: -115.277 tors. eta vs tors. theta energy: -179.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -2181.652188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.652188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.652188 (E_RNA) where: Base-Base interactions energy: -1470.010 where: short stacking energy: -637.300 Base-Backbone interact. energy: -5.013 local terms energy: -706.629166 where: bonds (distance) C4'-P energy: -134.539 bonds (distance) P-C4' energy: -146.186 flat angles C4'-P-C4' energy: -166.019 flat angles P-C4'-P energy: -104.227 tors. eta vs tors. theta energy: -155.657 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: 7, replica: 9 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -2012.603856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.603856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.603856 (E_RNA) where: Base-Base interactions energy: -1388.477 where: short stacking energy: -591.884 Base-Backbone interact. energy: -3.955 local terms energy: -620.172026 where: bonds (distance) C4'-P energy: -122.176 bonds (distance) P-C4' energy: -124.565 flat angles C4'-P-C4' energy: -140.096 flat angles P-C4'-P energy: -86.643 tors. eta vs tors. theta energy: -146.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1595.629098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.629098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.629098 (E_RNA) where: Base-Base interactions energy: -1012.360 where: short stacking energy: -486.627 Base-Backbone interact. energy: 1.157 local terms energy: -584.426019 where: bonds (distance) C4'-P energy: -124.489 bonds (distance) P-C4' energy: -137.562 flat angles C4'-P-C4' energy: -143.290 flat angles P-C4'-P energy: -72.647 tors. eta vs tors. theta energy: -106.438 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: 1 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -1222.183272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.183272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.183272 (E_RNA) where: Base-Base interactions energy: -675.184 where: short stacking energy: -353.189 Base-Backbone interact. energy: 4.442 local terms energy: -551.440740 where: bonds (distance) C4'-P energy: -140.902 bonds (distance) P-C4' energy: -158.667 flat angles C4'-P-C4' energy: -131.866 flat angles P-C4'-P energy: -74.503 tors. eta vs tors. theta energy: -45.502 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: 10, replica: 3 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -793.382929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.382929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.382929 (E_RNA) where: Base-Base interactions energy: -367.132 where: short stacking energy: -245.143 Base-Backbone interact. energy: 5.775 local terms energy: -432.025636 where: bonds (distance) C4'-P energy: -110.069 bonds (distance) P-C4' energy: -139.285 flat angles C4'-P-C4' energy: -125.707 flat angles P-C4'-P energy: -64.205 tors. eta vs tors. theta energy: 7.240 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: 1, replica: 6 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -2897.634259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.634259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.634259 (E_RNA) where: Base-Base interactions energy: -2027.150 where: short stacking energy: -885.311 Base-Backbone interact. energy: -4.249 local terms energy: -866.235676 where: bonds (distance) C4'-P energy: -145.243 bonds (distance) P-C4' energy: -173.017 flat angles C4'-P-C4' energy: -178.626 flat angles P-C4'-P energy: -115.837 tors. eta vs tors. theta energy: -253.513 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: 2, replica: 10 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2766.996866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.996866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.996866 (E_RNA) where: Base-Base interactions energy: -1912.793 where: short stacking energy: -823.188 Base-Backbone interact. energy: -2.272 local terms energy: -851.932330 where: bonds (distance) C4'-P energy: -158.699 bonds (distance) P-C4' energy: -156.049 flat angles C4'-P-C4' energy: -184.100 flat angles P-C4'-P energy: -127.663 tors. eta vs tors. theta energy: -225.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -2689.490581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.490581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.490581 (E_RNA) where: Base-Base interactions energy: -1842.091 where: short stacking energy: -805.366 Base-Backbone interact. energy: -2.100 local terms energy: -845.299563 where: bonds (distance) C4'-P energy: -153.965 bonds (distance) P-C4' energy: -157.417 flat angles C4'-P-C4' energy: -183.698 flat angles P-C4'-P energy: -120.823 tors. eta vs tors. theta energy: -229.397 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: 8 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -2600.838320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.838320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.838320 (E_RNA) where: Base-Base interactions energy: -1809.389 where: short stacking energy: -776.320 Base-Backbone interact. energy: -1.120 local terms energy: -790.329486 where: bonds (distance) C4'-P energy: -149.664 bonds (distance) P-C4' energy: -139.579 flat angles C4'-P-C4' energy: -161.759 flat angles P-C4'-P energy: -121.421 tors. eta vs tors. theta energy: -217.906 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: 5, replica: 4 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -2414.612648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.612648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.612648 (E_RNA) where: Base-Base interactions energy: -1658.038 where: short stacking energy: -709.792 Base-Backbone interact. energy: -1.591 local terms energy: -754.983690 where: bonds (distance) C4'-P energy: -142.114 bonds (distance) P-C4' energy: -140.033 flat angles C4'-P-C4' energy: -178.753 flat angles P-C4'-P energy: -107.303 tors. eta vs tors. theta energy: -186.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -2135.285797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.285797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.285797 (E_RNA) where: Base-Base interactions energy: -1485.356 where: short stacking energy: -647.839 Base-Backbone interact. energy: 0.213 local terms energy: -650.142696 where: bonds (distance) C4'-P energy: -136.709 bonds (distance) P-C4' energy: -136.254 flat angles C4'-P-C4' energy: -156.163 flat angles P-C4'-P energy: -61.912 tors. eta vs tors. theta energy: -159.105 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: 211 Temperature: 1.200000 Total energy: -1966.664659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.664659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.664659 (E_RNA) where: Base-Base interactions energy: -1330.150 where: short stacking energy: -592.500 Base-Backbone interact. energy: -1.928 local terms energy: -634.587018 where: bonds (distance) C4'-P energy: -113.156 bonds (distance) P-C4' energy: -145.256 flat angles C4'-P-C4' energy: -141.012 flat angles P-C4'-P energy: -102.611 tors. eta vs tors. theta energy: -132.552 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: 8, replica: 2 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1517.961698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.961698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.961698 (E_RNA) where: Base-Base interactions energy: -927.563 where: short stacking energy: -451.092 Base-Backbone interact. energy: -2.696 local terms energy: -587.702901 where: bonds (distance) C4'-P energy: -135.624 bonds (distance) P-C4' energy: -140.833 flat angles C4'-P-C4' energy: -129.144 flat angles P-C4'-P energy: -84.519 tors. eta vs tors. theta energy: -97.583 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: 9, replica: 1 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -1210.853983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.853983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.853983 (E_RNA) where: Base-Base interactions energy: -701.922 where: short stacking energy: -343.536 Base-Backbone interact. energy: -0.955 local terms energy: -507.977303 where: bonds (distance) C4'-P energy: -127.178 bonds (distance) P-C4' energy: -139.961 flat angles C4'-P-C4' energy: -129.948 flat angles P-C4'-P energy: -86.309 tors. eta vs tors. theta energy: -24.580 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: 10, replica: 3 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -884.653114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.653114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.653114 (E_RNA) where: Base-Base interactions energy: -456.689 where: short stacking energy: -257.222 Base-Backbone interact. energy: 4.453 local terms energy: -432.416988 where: bonds (distance) C4'-P energy: -129.674 bonds (distance) P-C4' energy: -141.080 flat angles C4'-P-C4' energy: -83.750 flat angles P-C4'-P energy: -87.501 tors. eta vs tors. theta energy: 9.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -2913.582226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.582226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.582226 (E_RNA) where: Base-Base interactions energy: -2008.147 where: short stacking energy: -875.005 Base-Backbone interact. energy: -6.584 local terms energy: -898.851038 where: bonds (distance) C4'-P energy: -168.097 bonds (distance) P-C4' energy: -155.906 flat angles C4'-P-C4' energy: -193.034 flat angles P-C4'-P energy: -131.191 tors. eta vs tors. theta energy: -250.623 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: 10 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2728.663811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.663811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.663811 (E_RNA) where: Base-Base interactions energy: -1900.904 where: short stacking energy: -821.404 Base-Backbone interact. energy: -2.642 local terms energy: -825.118346 where: bonds (distance) C4'-P energy: -147.166 bonds (distance) P-C4' energy: -159.000 flat angles C4'-P-C4' energy: -178.576 flat angles P-C4'-P energy: -113.561 tors. eta vs tors. theta energy: -226.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2620.639032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.639032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.639032 (E_RNA) where: Base-Base interactions energy: -1830.604 where: short stacking energy: -819.662 Base-Backbone interact. energy: 1.018 local terms energy: -791.053583 where: bonds (distance) C4'-P energy: -126.605 bonds (distance) P-C4' energy: -151.234 flat angles C4'-P-C4' energy: -165.138 flat angles P-C4'-P energy: -116.114 tors. eta vs tors. theta energy: -231.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -2580.306184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.306184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.306184 (E_RNA) where: Base-Base interactions energy: -1781.998 where: short stacking energy: -773.277 Base-Backbone interact. energy: -4.381 local terms energy: -793.927665 where: bonds (distance) C4'-P energy: -127.676 bonds (distance) P-C4' energy: -152.216 flat angles C4'-P-C4' energy: -187.035 flat angles P-C4'-P energy: -100.317 tors. eta vs tors. theta energy: -226.684 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: 5, replica: 4 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -2438.101234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.101234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.101234 (E_RNA) where: Base-Base interactions energy: -1669.430 where: short stacking energy: -722.955 Base-Backbone interact. energy: -2.434 local terms energy: -766.237780 where: bonds (distance) C4'-P energy: -133.509 bonds (distance) P-C4' energy: -150.932 flat angles C4'-P-C4' energy: -174.395 flat angles P-C4'-P energy: -109.508 tors. eta vs tors. theta energy: -197.893 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: 6, replica: 5 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -2146.644691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.644691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.644691 (E_RNA) where: Base-Base interactions energy: -1432.879 where: short stacking energy: -635.473 Base-Backbone interact. energy: -3.055 local terms energy: -710.710843 where: bonds (distance) C4'-P energy: -137.832 bonds (distance) P-C4' energy: -150.315 flat angles C4'-P-C4' energy: -161.181 flat angles P-C4'-P energy: -99.714 tors. eta vs tors. theta energy: -161.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1968.118581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.118581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.118581 (E_RNA) where: Base-Base interactions energy: -1309.814 where: short stacking energy: -582.376 Base-Backbone interact. energy: -0.872 local terms energy: -657.432270 where: bonds (distance) C4'-P energy: -133.118 bonds (distance) P-C4' energy: -141.106 flat angles C4'-P-C4' energy: -162.476 flat angles P-C4'-P energy: -94.494 tors. eta vs tors. theta energy: -126.237 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: 2 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1545.203680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.203680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.203680 (E_RNA) where: Base-Base interactions energy: -984.489 where: short stacking energy: -447.789 Base-Backbone interact. energy: 3.195 local terms energy: -563.910554 where: bonds (distance) C4'-P energy: -124.247 bonds (distance) P-C4' energy: -152.393 flat angles C4'-P-C4' energy: -123.435 flat angles P-C4'-P energy: -78.045 tors. eta vs tors. theta energy: -85.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -1212.460631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.460631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.460631 (E_RNA) where: Base-Base interactions energy: -737.937 where: short stacking energy: -385.700 Base-Backbone interact. energy: -1.939 local terms energy: -472.584176 where: bonds (distance) C4'-P energy: -135.342 bonds (distance) P-C4' energy: -106.004 flat angles C4'-P-C4' energy: -141.065 flat angles P-C4'-P energy: -48.479 tors. eta vs tors. theta energy: -41.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -799.332728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.332728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.332728 (E_RNA) where: Base-Base interactions energy: -402.084 where: short stacking energy: -213.162 Base-Backbone interact. energy: -0.106 local terms energy: -397.142151 where: bonds (distance) C4'-P energy: -127.428 bonds (distance) P-C4' energy: -129.752 flat angles C4'-P-C4' energy: -106.967 flat angles P-C4'-P energy: -73.057 tors. eta vs tors. theta energy: 40.062 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: 6 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -2929.060956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.060956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.060956 (E_RNA) where: Base-Base interactions energy: -2019.291 where: short stacking energy: -878.744 Base-Backbone interact. energy: -3.355 local terms energy: -906.415503 where: bonds (distance) C4'-P energy: -176.541 bonds (distance) P-C4' energy: -156.763 flat angles C4'-P-C4' energy: -190.412 flat angles P-C4'-P energy: -130.602 tors. eta vs tors. theta energy: -252.097 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: 2, replica: 10 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2739.315772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.315772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.315772 (E_RNA) where: Base-Base interactions energy: -1910.476 where: short stacking energy: -803.553 Base-Backbone interact. energy: -1.873 local terms energy: -826.966241 where: bonds (distance) C4'-P energy: -164.757 bonds (distance) P-C4' energy: -165.326 flat angles C4'-P-C4' energy: -167.630 flat angles P-C4'-P energy: -109.287 tors. eta vs tors. theta energy: -219.966 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: 3, replica: 7 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -2667.078487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.078487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.078487 (E_RNA) where: Base-Base interactions energy: -1834.473 where: short stacking energy: -796.941 Base-Backbone interact. energy: -4.026 local terms energy: -828.579655 where: bonds (distance) C4'-P energy: -149.258 bonds (distance) P-C4' energy: -153.417 flat angles C4'-P-C4' energy: -179.260 flat angles P-C4'-P energy: -117.018 tors. eta vs tors. theta energy: -229.627 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: 4, replica: 8 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -2612.985463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.985463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.985463 (E_RNA) where: Base-Base interactions energy: -1837.819 where: short stacking energy: -774.768 Base-Backbone interact. energy: -1.607 local terms energy: -773.559575 where: bonds (distance) C4'-P energy: -130.765 bonds (distance) P-C4' energy: -138.008 flat angles C4'-P-C4' energy: -186.939 flat angles P-C4'-P energy: -102.186 tors. eta vs tors. theta energy: -215.661 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: 5, replica: 4 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -2486.237794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.237794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.237794 (E_RNA) where: Base-Base interactions energy: -1749.135 where: short stacking energy: -712.219 Base-Backbone interact. energy: -4.295 local terms energy: -732.806867 where: bonds (distance) C4'-P energy: -159.847 bonds (distance) P-C4' energy: -140.028 flat angles C4'-P-C4' energy: -160.085 flat angles P-C4'-P energy: -86.615 tors. eta vs tors. theta energy: -186.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -2096.604341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.604341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.604341 (E_RNA) where: Base-Base interactions energy: -1401.055 where: short stacking energy: -618.949 Base-Backbone interact. energy: -4.686 local terms energy: -690.863605 where: bonds (distance) C4'-P energy: -128.564 bonds (distance) P-C4' energy: -137.034 flat angles C4'-P-C4' energy: -156.356 flat angles P-C4'-P energy: -109.628 tors. eta vs tors. theta energy: -159.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1937.283079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.283079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.283079 (E_RNA) where: Base-Base interactions energy: -1325.636 where: short stacking energy: -558.898 Base-Backbone interact. energy: -1.928 local terms energy: -609.718930 where: bonds (distance) C4'-P energy: -129.389 bonds (distance) P-C4' energy: -138.181 flat angles C4'-P-C4' energy: -143.795 flat angles P-C4'-P energy: -67.027 tors. eta vs tors. theta energy: -131.327 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: 8, replica: 2 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1613.228139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.228139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.228139 (E_RNA) where: Base-Base interactions energy: -1004.978 where: short stacking energy: -447.427 Base-Backbone interact. energy: -2.281 local terms energy: -605.969044 where: bonds (distance) C4'-P energy: -138.750 bonds (distance) P-C4' energy: -135.041 flat angles C4'-P-C4' energy: -153.206 flat angles P-C4'-P energy: -86.318 tors. eta vs tors. theta energy: -92.653 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: 9, replica: 1 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -1155.267672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.267672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.267672 (E_RNA) where: Base-Base interactions energy: -661.719 where: short stacking energy: -355.381 Base-Backbone interact. energy: 4.640 local terms energy: -498.188913 where: bonds (distance) C4'-P energy: -140.156 bonds (distance) P-C4' energy: -125.127 flat angles C4'-P-C4' energy: -128.673 flat angles P-C4'-P energy: -59.112 tors. eta vs tors. theta energy: -45.122 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: 10, replica: 3 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -763.634132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.634132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.634132 (E_RNA) where: Base-Base interactions energy: -391.445 where: short stacking energy: -221.316 Base-Backbone interact. energy: -3.537 local terms energy: -368.652594 where: bonds (distance) C4'-P energy: -108.535 bonds (distance) P-C4' energy: -129.271 flat angles C4'-P-C4' energy: -90.404 flat angles P-C4'-P energy: -56.147 tors. eta vs tors. theta energy: 15.705 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: 6 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -2921.244313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.244313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.244313 (E_RNA) where: Base-Base interactions energy: -2022.019 where: short stacking energy: -869.830 Base-Backbone interact. energy: -2.123 local terms energy: -897.102947 where: bonds (distance) C4'-P energy: -152.976 bonds (distance) P-C4' energy: -178.890 flat angles C4'-P-C4' energy: -190.992 flat angles P-C4'-P energy: -122.205 tors. eta vs tors. theta energy: -252.039 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: 10 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2739.326578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.326578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.326578 (E_RNA) where: Base-Base interactions energy: -1897.262 where: short stacking energy: -781.288 Base-Backbone interact. energy: -1.903 local terms energy: -840.162419 where: bonds (distance) C4'-P energy: -161.457 bonds (distance) P-C4' energy: -170.519 flat angles C4'-P-C4' energy: -177.566 flat angles P-C4'-P energy: -115.547 tors. eta vs tors. theta energy: -215.074 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: 3, replica: 7 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2636.504634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.504634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.504634 (E_RNA) where: Base-Base interactions energy: -1813.216 where: short stacking energy: -804.050 Base-Backbone interact. energy: -2.493 local terms energy: -820.795440 where: bonds (distance) C4'-P energy: -150.034 bonds (distance) P-C4' energy: -142.794 flat angles C4'-P-C4' energy: -185.785 flat angles P-C4'-P energy: -116.207 tors. eta vs tors. theta energy: -225.976 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: 8 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -2602.626059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.626059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.626059 (E_RNA) where: Base-Base interactions energy: -1801.678 where: short stacking energy: -764.314 Base-Backbone interact. energy: -3.606 local terms energy: -797.342471 where: bonds (distance) C4'-P energy: -138.404 bonds (distance) P-C4' energy: -149.431 flat angles C4'-P-C4' energy: -174.667 flat angles P-C4'-P energy: -112.891 tors. eta vs tors. theta energy: -221.949 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: 5, replica: 4 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -2444.159521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.159521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.159521 (E_RNA) where: Base-Base interactions energy: -1709.781 where: short stacking energy: -727.058 Base-Backbone interact. energy: -0.777 local terms energy: -733.601251 where: bonds (distance) C4'-P energy: -155.619 bonds (distance) P-C4' energy: -143.158 flat angles C4'-P-C4' energy: -159.026 flat angles P-C4'-P energy: -93.039 tors. eta vs tors. theta energy: -182.760 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: 6, replica: 5 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -2119.637275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.637275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.637275 (E_RNA) where: Base-Base interactions energy: -1431.095 where: short stacking energy: -629.325 Base-Backbone interact. energy: -0.811 local terms energy: -687.731235 where: bonds (distance) C4'-P energy: -131.234 bonds (distance) P-C4' energy: -155.684 flat angles C4'-P-C4' energy: -155.247 flat angles P-C4'-P energy: -87.599 tors. eta vs tors. theta energy: -157.967 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: 7, replica: 9 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1972.788994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.788994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.788994 (E_RNA) where: Base-Base interactions energy: -1336.009 where: short stacking energy: -569.887 Base-Backbone interact. energy: -0.934 local terms energy: -635.846525 where: bonds (distance) C4'-P energy: -125.642 bonds (distance) P-C4' energy: -145.053 flat angles C4'-P-C4' energy: -137.667 flat angles P-C4'-P energy: -97.031 tors. eta vs tors. theta energy: -130.453 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: 2 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1603.653123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.653123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.653123 (E_RNA) where: Base-Base interactions energy: -1015.199 where: short stacking energy: -471.040 Base-Backbone interact. energy: 0.460 local terms energy: -588.913460 where: bonds (distance) C4'-P energy: -135.622 bonds (distance) P-C4' energy: -134.931 flat angles C4'-P-C4' energy: -143.712 flat angles P-C4'-P energy: -82.783 tors. eta vs tors. theta energy: -91.865 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: 9, replica: 1 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -1168.230393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.230393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.230393 (E_RNA) where: Base-Base interactions energy: -703.132 where: short stacking energy: -345.841 Base-Backbone interact. energy: 2.900 local terms energy: -467.998876 where: bonds (distance) C4'-P energy: -140.478 bonds (distance) P-C4' energy: -135.455 flat angles C4'-P-C4' energy: -92.434 flat angles P-C4'-P energy: -62.789 tors. eta vs tors. theta energy: -36.843 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: 3 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -780.156948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.156948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.156948 (E_RNA) where: Base-Base interactions energy: -394.268 where: short stacking energy: -237.332 Base-Backbone interact. energy: -1.402 local terms energy: -384.486203 where: bonds (distance) C4'-P energy: -111.271 bonds (distance) P-C4' energy: -113.064 flat angles C4'-P-C4' energy: -114.745 flat angles P-C4'-P energy: -71.115 tors. eta vs tors. theta energy: 25.709 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: 6 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -2914.132879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.132879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.132879 (E_RNA) where: Base-Base interactions energy: -2028.151 where: short stacking energy: -862.249 Base-Backbone interact. energy: -4.372 local terms energy: -881.610078 where: bonds (distance) C4'-P energy: -154.877 bonds (distance) P-C4' energy: -165.404 flat angles C4'-P-C4' energy: -185.136 flat angles P-C4'-P energy: -128.285 tors. eta vs tors. theta energy: -247.908 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: 2, replica: 10 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -2727.932419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.932419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.932419 (E_RNA) where: Base-Base interactions energy: -1908.622 where: short stacking energy: -798.771 Base-Backbone interact. energy: 4.235 local terms energy: -823.545317 where: bonds (distance) C4'-P energy: -161.504 bonds (distance) P-C4' energy: -157.827 flat angles C4'-P-C4' energy: -180.776 flat angles P-C4'-P energy: -111.755 tors. eta vs tors. theta energy: -211.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -2671.981439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.981439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.981439 (E_RNA) where: Base-Base interactions energy: -1835.385 where: short stacking energy: -797.423 Base-Backbone interact. energy: -3.853 local terms energy: -832.742851 where: bonds (distance) C4'-P energy: -154.775 bonds (distance) P-C4' energy: -174.058 flat angles C4'-P-C4' energy: -179.361 flat angles P-C4'-P energy: -107.745 tors. eta vs tors. theta energy: -216.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -2600.768199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.768199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.768199 (E_RNA) where: Base-Base interactions energy: -1796.223 where: short stacking energy: -745.183 Base-Backbone interact. energy: -1.856 local terms energy: -802.688396 where: bonds (distance) C4'-P energy: -140.219 bonds (distance) P-C4' energy: -145.902 flat angles C4'-P-C4' energy: -183.449 flat angles P-C4'-P energy: -113.944 tors. eta vs tors. theta energy: -219.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -2421.758786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.758786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.758786 (E_RNA) where: Base-Base interactions energy: -1659.162 where: short stacking energy: -742.930 Base-Backbone interact. energy: -0.701 local terms energy: -761.895467 where: bonds (distance) C4'-P energy: -153.754 bonds (distance) P-C4' energy: -141.731 flat angles C4'-P-C4' energy: -159.811 flat angles P-C4'-P energy: -109.538 tors. eta vs tors. theta energy: -197.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -2120.377258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.377258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.377258 (E_RNA) where: Base-Base interactions energy: -1428.576 where: short stacking energy: -641.828 Base-Backbone interact. energy: -1.590 local terms energy: -690.212017 where: bonds (distance) C4'-P energy: -143.728 bonds (distance) P-C4' energy: -139.108 flat angles C4'-P-C4' energy: -155.750 flat angles P-C4'-P energy: -90.262 tors. eta vs tors. theta energy: -161.364 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: 215 Temperature: 1.200000 Total energy: -2012.829525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.829525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.829525 (E_RNA) where: Base-Base interactions energy: -1410.980 where: short stacking energy: -599.677 Base-Backbone interact. energy: 2.602 local terms energy: -604.451937 where: bonds (distance) C4'-P energy: -110.974 bonds (distance) P-C4' energy: -132.895 flat angles C4'-P-C4' energy: -147.354 flat angles P-C4'-P energy: -97.841 tors. eta vs tors. theta energy: -115.388 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: 8, replica: 2 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1528.139485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.139485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.139485 (E_RNA) where: Base-Base interactions energy: -988.815 where: short stacking energy: -476.870 Base-Backbone interact. energy: -4.037 local terms energy: -535.287006 where: bonds (distance) C4'-P energy: -114.100 bonds (distance) P-C4' energy: -122.583 flat angles C4'-P-C4' energy: -131.370 flat angles P-C4'-P energy: -79.934 tors. eta vs tors. theta energy: -87.300 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: 9, replica: 1 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -1210.014165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.014165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.014165 (E_RNA) where: Base-Base interactions energy: -698.283 where: short stacking energy: -337.850 Base-Backbone interact. energy: -3.209 local terms energy: -508.522664 where: bonds (distance) C4'-P energy: -119.315 bonds (distance) P-C4' energy: -138.076 flat angles C4'-P-C4' energy: -143.286 flat angles P-C4'-P energy: -84.035 tors. eta vs tors. theta energy: -23.811 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: 10, replica: 3 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -821.799978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.799978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.799978 (E_RNA) where: Base-Base interactions energy: -387.743 where: short stacking energy: -241.342 Base-Backbone interact. energy: 1.812 local terms energy: -435.869346 where: bonds (distance) C4'-P energy: -120.943 bonds (distance) P-C4' energy: -140.206 flat angles C4'-P-C4' energy: -120.054 flat angles P-C4'-P energy: -50.385 tors. eta vs tors. theta energy: -4.281 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: 1, replica: 6 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -2903.254958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.254958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.254958 (E_RNA) where: Base-Base interactions energy: -2007.069 where: short stacking energy: -874.398 Base-Backbone interact. energy: 1.689 local terms energy: -897.874983 where: bonds (distance) C4'-P energy: -151.698 bonds (distance) P-C4' energy: -170.504 flat angles C4'-P-C4' energy: -185.154 flat angles P-C4'-P energy: -140.517 tors. eta vs tors. theta energy: -250.002 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: 10 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2774.038891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.038891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.038891 (E_RNA) where: Base-Base interactions energy: -1915.105 where: short stacking energy: -806.893 Base-Backbone interact. energy: -1.717 local terms energy: -857.217209 where: bonds (distance) C4'-P energy: -166.281 bonds (distance) P-C4' energy: -167.733 flat angles C4'-P-C4' energy: -188.734 flat angles P-C4'-P energy: -115.032 tors. eta vs tors. theta energy: -219.437 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: 7 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -2667.864972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.864972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.864972 (E_RNA) where: Base-Base interactions energy: -1841.426 where: short stacking energy: -788.177 Base-Backbone interact. energy: -2.300 local terms energy: -824.139091 where: bonds (distance) C4'-P energy: -145.306 bonds (distance) P-C4' energy: -152.928 flat angles C4'-P-C4' energy: -178.923 flat angles P-C4'-P energy: -118.997 tors. eta vs tors. theta energy: -227.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -2584.158051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.158051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.158051 (E_RNA) where: Base-Base interactions energy: -1798.698 where: short stacking energy: -746.111 Base-Backbone interact. energy: -0.739 local terms energy: -784.721037 where: bonds (distance) C4'-P energy: -140.339 bonds (distance) P-C4' energy: -161.260 flat angles C4'-P-C4' energy: -168.467 flat angles P-C4'-P energy: -100.858 tors. eta vs tors. theta energy: -213.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -2423.667004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.667004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.667004 (E_RNA) where: Base-Base interactions energy: -1656.845 where: short stacking energy: -745.903 Base-Backbone interact. energy: -0.955 local terms energy: -765.866850 where: bonds (distance) C4'-P energy: -151.320 bonds (distance) P-C4' energy: -142.692 flat angles C4'-P-C4' energy: -161.707 flat angles P-C4'-P energy: -107.041 tors. eta vs tors. theta energy: -203.107 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: 5 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -2094.085492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.085492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.085492 (E_RNA) where: Base-Base interactions energy: -1387.086 where: short stacking energy: -631.130 Base-Backbone interact. energy: -2.195 local terms energy: -704.804167 where: bonds (distance) C4'-P energy: -118.516 bonds (distance) P-C4' energy: -141.834 flat angles C4'-P-C4' energy: -173.899 flat angles P-C4'-P energy: -105.199 tors. eta vs tors. theta energy: -165.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -2013.020735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.020735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.020735 (E_RNA) where: Base-Base interactions energy: -1339.534 where: short stacking energy: -572.947 Base-Backbone interact. energy: -2.682 local terms energy: -670.805014 where: bonds (distance) C4'-P energy: -142.301 bonds (distance) P-C4' energy: -150.669 flat angles C4'-P-C4' energy: -149.842 flat angles P-C4'-P energy: -88.204 tors. eta vs tors. theta energy: -139.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1541.833651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.833651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.833651 (E_RNA) where: Base-Base interactions energy: -981.431 where: short stacking energy: -446.986 Base-Backbone interact. energy: -0.057 local terms energy: -560.345243 where: bonds (distance) C4'-P energy: -134.091 bonds (distance) P-C4' energy: -132.704 flat angles C4'-P-C4' energy: -131.030 flat angles P-C4'-P energy: -72.937 tors. eta vs tors. theta energy: -89.584 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: 1 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -1158.911400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.911400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.911400 (E_RNA) where: Base-Base interactions energy: -664.732 where: short stacking energy: -316.873 Base-Backbone interact. energy: 2.196 local terms energy: -496.375947 where: bonds (distance) C4'-P energy: -123.225 bonds (distance) P-C4' energy: -135.513 flat angles C4'-P-C4' energy: -127.646 flat angles P-C4'-P energy: -88.110 tors. eta vs tors. theta energy: -21.882 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: 3 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -785.115316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.115316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.115316 (E_RNA) where: Base-Base interactions energy: -404.504 where: short stacking energy: -254.109 Base-Backbone interact. energy: 2.443 local terms energy: -383.054376 where: bonds (distance) C4'-P energy: -115.233 bonds (distance) P-C4' energy: -136.229 flat angles C4'-P-C4' energy: -95.526 flat angles P-C4'-P energy: -53.853 tors. eta vs tors. theta energy: 17.788 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: 6 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -2911.172258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.172258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.172258 (E_RNA) where: Base-Base interactions energy: -2022.984 where: short stacking energy: -880.537 Base-Backbone interact. energy: -1.667 local terms energy: -886.521905 where: bonds (distance) C4'-P energy: -168.190 bonds (distance) P-C4' energy: -154.462 flat angles C4'-P-C4' energy: -197.168 flat angles P-C4'-P energy: -117.230 tors. eta vs tors. theta energy: -249.472 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: 2, replica: 10 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2745.197619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.197619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.197619 (E_RNA) where: Base-Base interactions energy: -1915.447 where: short stacking energy: -810.351 Base-Backbone interact. energy: -3.605 local terms energy: -826.145384 where: bonds (distance) C4'-P energy: -152.228 bonds (distance) P-C4' energy: -166.919 flat angles C4'-P-C4' energy: -178.916 flat angles P-C4'-P energy: -115.715 tors. eta vs tors. theta energy: -212.368 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: 7 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -2668.748795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.748795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.748795 (E_RNA) where: Base-Base interactions energy: -1853.146 where: short stacking energy: -820.131 Base-Backbone interact. energy: -2.010 local terms energy: -813.592227 where: bonds (distance) C4'-P energy: -139.589 bonds (distance) P-C4' energy: -149.213 flat angles C4'-P-C4' energy: -168.252 flat angles P-C4'-P energy: -120.661 tors. eta vs tors. theta energy: -235.878 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: 8 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -2640.908885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.908885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.908885 (E_RNA) where: Base-Base interactions energy: -1852.998 where: short stacking energy: -794.476 Base-Backbone interact. energy: -0.092 local terms energy: -787.818925 where: bonds (distance) C4'-P energy: -146.209 bonds (distance) P-C4' energy: -142.989 flat angles C4'-P-C4' energy: -173.257 flat angles P-C4'-P energy: -98.669 tors. eta vs tors. theta energy: -226.695 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: 4 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -2338.867500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.867500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.867500 (E_RNA) where: Base-Base interactions energy: -1592.491 where: short stacking energy: -659.185 Base-Backbone interact. energy: -2.220 local terms energy: -744.156614 where: bonds (distance) C4'-P energy: -155.893 bonds (distance) P-C4' energy: -141.543 flat angles C4'-P-C4' energy: -172.105 flat angles P-C4'-P energy: -95.500 tors. eta vs tors. theta energy: -179.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -2201.503341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.503341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.503341 (E_RNA) where: Base-Base interactions energy: -1525.784 where: short stacking energy: -648.543 Base-Backbone interact. energy: -0.433 local terms energy: -675.285855 where: bonds (distance) C4'-P energy: -111.301 bonds (distance) P-C4' energy: -137.244 flat angles C4'-P-C4' energy: -150.126 flat angles P-C4'-P energy: -106.889 tors. eta vs tors. theta energy: -169.727 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: 217 Temperature: 1.200000 Total energy: -1973.944059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.944059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.944059 (E_RNA) where: Base-Base interactions energy: -1347.040 where: short stacking energy: -600.761 Base-Backbone interact. energy: -3.619 local terms energy: -623.285540 where: bonds (distance) C4'-P energy: -134.845 bonds (distance) P-C4' energy: -123.297 flat angles C4'-P-C4' energy: -136.754 flat angles P-C4'-P energy: -91.736 tors. eta vs tors. theta energy: -136.653 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: 2 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1493.169377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.169377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.169377 (E_RNA) where: Base-Base interactions energy: -952.898 where: short stacking energy: -481.229 Base-Backbone interact. energy: 0.569 local terms energy: -540.840029 where: bonds (distance) C4'-P energy: -115.332 bonds (distance) P-C4' energy: -123.922 flat angles C4'-P-C4' energy: -140.907 flat angles P-C4'-P energy: -79.475 tors. eta vs tors. theta energy: -81.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -1253.797467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.797467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.797467 (E_RNA) where: Base-Base interactions energy: -748.909 where: short stacking energy: -375.509 Base-Backbone interact. energy: -0.483 local terms energy: -504.405653 where: bonds (distance) C4'-P energy: -120.011 bonds (distance) P-C4' energy: -128.985 flat angles C4'-P-C4' energy: -118.692 flat angles P-C4'-P energy: -97.557 tors. eta vs tors. theta energy: -39.161 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: 3 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -755.246771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.246771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.246771 (E_RNA) where: Base-Base interactions energy: -321.760 where: short stacking energy: -215.807 Base-Backbone interact. energy: -0.995 local terms energy: -432.491764 where: bonds (distance) C4'-P energy: -145.906 bonds (distance) P-C4' energy: -142.478 flat angles C4'-P-C4' energy: -113.197 flat angles P-C4'-P energy: -44.795 tors. eta vs tors. theta energy: 13.884 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: 1, replica: 6 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -2880.542945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.542945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.542945 (E_RNA) where: Base-Base interactions energy: -1990.664 where: short stacking energy: -852.054 Base-Backbone interact. energy: -2.023 local terms energy: -887.855643 where: bonds (distance) C4'-P energy: -166.397 bonds (distance) P-C4' energy: -154.818 flat angles C4'-P-C4' energy: -185.652 flat angles P-C4'-P energy: -130.958 tors. eta vs tors. theta energy: -250.031 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: 10 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2771.969378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.969378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.969378 (E_RNA) where: Base-Base interactions energy: -1934.402 where: short stacking energy: -816.777 Base-Backbone interact. energy: -3.595 local terms energy: -833.972346 where: bonds (distance) C4'-P energy: -161.653 bonds (distance) P-C4' energy: -155.273 flat angles C4'-P-C4' energy: -183.188 flat angles P-C4'-P energy: -120.583 tors. eta vs tors. theta energy: -213.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -2678.447742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.447742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.447742 (E_RNA) where: Base-Base interactions energy: -1828.712 where: short stacking energy: -823.126 Base-Backbone interact. energy: 0.703 local terms energy: -850.438409 where: bonds (distance) C4'-P energy: -156.172 bonds (distance) P-C4' energy: -159.023 flat angles C4'-P-C4' energy: -176.332 flat angles P-C4'-P energy: -123.072 tors. eta vs tors. theta energy: -235.838 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: 4, replica: 8 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -2653.311504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.311504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.311504 (E_RNA) where: Base-Base interactions energy: -1849.406 where: short stacking energy: -806.468 Base-Backbone interact. energy: 1.018 local terms energy: -804.923353 where: bonds (distance) C4'-P energy: -134.315 bonds (distance) P-C4' energy: -151.385 flat angles C4'-P-C4' energy: -176.226 flat angles P-C4'-P energy: -109.182 tors. eta vs tors. theta energy: -233.815 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: 5, replica: 4 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -2372.417040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.417040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.417040 (E_RNA) where: Base-Base interactions energy: -1631.591 where: short stacking energy: -695.677 Base-Backbone interact. energy: -0.648 local terms energy: -740.177943 where: bonds (distance) C4'-P energy: -149.804 bonds (distance) P-C4' energy: -133.875 flat angles C4'-P-C4' energy: -156.463 flat angles P-C4'-P energy: -114.505 tors. eta vs tors. theta energy: -185.530 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: 6, replica: 5 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -2117.619946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.619946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.619946 (E_RNA) where: Base-Base interactions energy: -1424.300 where: short stacking energy: -634.605 Base-Backbone interact. energy: -1.362 local terms energy: -691.957721 where: bonds (distance) C4'-P energy: -135.219 bonds (distance) P-C4' energy: -145.291 flat angles C4'-P-C4' energy: -161.349 flat angles P-C4'-P energy: -93.127 tors. eta vs tors. theta energy: -156.972 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: 7, replica: 9 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1964.122466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.122466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.122466 (E_RNA) where: Base-Base interactions energy: -1315.767 where: short stacking energy: -551.233 Base-Backbone interact. energy: 1.560 local terms energy: -649.915140 where: bonds (distance) C4'-P energy: -134.238 bonds (distance) P-C4' energy: -158.288 flat angles C4'-P-C4' energy: -153.672 flat angles P-C4'-P energy: -80.328 tors. eta vs tors. theta energy: -123.389 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: 2 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1579.674106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.674106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.674106 (E_RNA) where: Base-Base interactions energy: -1014.228 where: short stacking energy: -464.569 Base-Backbone interact. energy: 3.462 local terms energy: -568.907637 where: bonds (distance) C4'-P energy: -143.826 bonds (distance) P-C4' energy: -140.351 flat angles C4'-P-C4' energy: -134.120 flat angles P-C4'-P energy: -71.875 tors. eta vs tors. theta energy: -78.735 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: 1 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -1255.035876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.035876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.035876 (E_RNA) where: Base-Base interactions energy: -759.668 where: short stacking energy: -358.837 Base-Backbone interact. energy: -0.299 local terms energy: -495.068635 where: bonds (distance) C4'-P energy: -129.525 bonds (distance) P-C4' energy: -126.855 flat angles C4'-P-C4' energy: -127.611 flat angles P-C4'-P energy: -68.525 tors. eta vs tors. theta energy: -42.553 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: 3 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -720.842912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.842912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.842912 (E_RNA) where: Base-Base interactions energy: -301.211 where: short stacking energy: -195.259 Base-Backbone interact. energy: 1.273 local terms energy: -420.904886 where: bonds (distance) C4'-P energy: -119.795 bonds (distance) P-C4' energy: -125.670 flat angles C4'-P-C4' energy: -107.451 flat angles P-C4'-P energy: -90.273 tors. eta vs tors. theta energy: 22.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -2882.060502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.060502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.060502 (E_RNA) where: Base-Base interactions energy: -1982.013 where: short stacking energy: -868.740 Base-Backbone interact. energy: -1.143 local terms energy: -898.904578 where: bonds (distance) C4'-P energy: -169.410 bonds (distance) P-C4' energy: -164.612 flat angles C4'-P-C4' energy: -190.766 flat angles P-C4'-P energy: -126.834 tors. eta vs tors. theta energy: -247.283 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: 2, replica: 10 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -2760.896685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.896685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.896685 (E_RNA) where: Base-Base interactions energy: -1928.982 where: short stacking energy: -841.373 Base-Backbone interact. energy: -1.703 local terms energy: -830.212202 where: bonds (distance) C4'-P energy: -153.105 bonds (distance) P-C4' energy: -169.305 flat angles C4'-P-C4' energy: -171.378 flat angles P-C4'-P energy: -114.497 tors. eta vs tors. theta energy: -221.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -2673.211330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.211330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.211330 (E_RNA) where: Base-Base interactions energy: -1840.680 where: short stacking energy: -834.882 Base-Backbone interact. energy: -3.880 local terms energy: -828.651561 where: bonds (distance) C4'-P energy: -151.639 bonds (distance) P-C4' energy: -148.726 flat angles C4'-P-C4' energy: -182.643 flat angles P-C4'-P energy: -103.564 tors. eta vs tors. theta energy: -242.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -2581.839463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.839463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.839463 (E_RNA) where: Base-Base interactions energy: -1815.608 where: short stacking energy: -764.143 Base-Backbone interact. energy: -4.118 local terms energy: -762.114283 where: bonds (distance) C4'-P energy: -142.968 bonds (distance) P-C4' energy: -150.065 flat angles C4'-P-C4' energy: -168.084 flat angles P-C4'-P energy: -89.074 tors. eta vs tors. theta energy: -211.924 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: 5, replica: 4 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -2356.677920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.677920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.677920 (E_RNA) where: Base-Base interactions energy: -1624.160 where: short stacking energy: -690.006 Base-Backbone interact. energy: -2.553 local terms energy: -729.964942 where: bonds (distance) C4'-P energy: -155.001 bonds (distance) P-C4' energy: -136.709 flat angles C4'-P-C4' energy: -148.308 flat angles P-C4'-P energy: -107.575 tors. eta vs tors. theta energy: -182.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -2121.938754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.938754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.938754 (E_RNA) where: Base-Base interactions energy: -1442.843 where: short stacking energy: -643.180 Base-Backbone interact. energy: -2.762 local terms energy: -676.333962 where: bonds (distance) C4'-P energy: -137.115 bonds (distance) P-C4' energy: -145.531 flat angles C4'-P-C4' energy: -159.843 flat angles P-C4'-P energy: -88.177 tors. eta vs tors. theta energy: -145.667 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: 7, replica: 9 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1941.815985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.815985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.815985 (E_RNA) where: Base-Base interactions energy: -1329.077 where: short stacking energy: -564.643 Base-Backbone interact. energy: 0.797 local terms energy: -613.535205 where: bonds (distance) C4'-P energy: -138.211 bonds (distance) P-C4' energy: -134.555 flat angles C4'-P-C4' energy: -126.559 flat angles P-C4'-P energy: -99.385 tors. eta vs tors. theta energy: -114.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1543.983104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.983104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.983104 (E_RNA) where: Base-Base interactions energy: -995.041 where: short stacking energy: -439.135 Base-Backbone interact. energy: -1.710 local terms energy: -547.232248 where: bonds (distance) C4'-P energy: -139.644 bonds (distance) P-C4' energy: -122.162 flat angles C4'-P-C4' energy: -131.351 flat angles P-C4'-P energy: -79.175 tors. eta vs tors. theta energy: -74.901 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: 1 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -1209.549564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.549564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.549564 (E_RNA) where: Base-Base interactions energy: -668.119 where: short stacking energy: -339.325 Base-Backbone interact. energy: 5.102 local terms energy: -546.532881 where: bonds (distance) C4'-P energy: -141.060 bonds (distance) P-C4' energy: -153.233 flat angles C4'-P-C4' energy: -138.079 flat angles P-C4'-P energy: -61.040 tors. eta vs tors. theta energy: -53.121 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: 3 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -671.297278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.297278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.297278 (E_RNA) where: Base-Base interactions energy: -297.627 where: short stacking energy: -177.248 Base-Backbone interact. energy: 6.226 local terms energy: -379.896660 where: bonds (distance) C4'-P energy: -127.781 bonds (distance) P-C4' energy: -122.724 flat angles C4'-P-C4' energy: -100.864 flat angles P-C4'-P energy: -47.686 tors. eta vs tors. theta energy: 19.158 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: 1, replica: 6 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -2938.304649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.304649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.304649 (E_RNA) where: Base-Base interactions energy: -2026.175 where: short stacking energy: -871.793 Base-Backbone interact. energy: -2.238 local terms energy: -909.891711 where: bonds (distance) C4'-P energy: -162.444 bonds (distance) P-C4' energy: -163.472 flat angles C4'-P-C4' energy: -186.653 flat angles P-C4'-P energy: -138.843 tors. eta vs tors. theta energy: -258.479 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: 2, replica: 10 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2734.789814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.789814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.789814 (E_RNA) where: Base-Base interactions energy: -1916.033 where: short stacking energy: -819.730 Base-Backbone interact. energy: -0.753 local terms energy: -818.003887 where: bonds (distance) C4'-P energy: -153.347 bonds (distance) P-C4' energy: -158.208 flat angles C4'-P-C4' energy: -168.237 flat angles P-C4'-P energy: -116.957 tors. eta vs tors. theta energy: -221.254 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: 7 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -2663.434293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.434293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.434293 (E_RNA) where: Base-Base interactions energy: -1835.875 where: short stacking energy: -820.234 Base-Backbone interact. energy: 0.837 local terms energy: -828.396172 where: bonds (distance) C4'-P energy: -158.031 bonds (distance) P-C4' energy: -146.427 flat angles C4'-P-C4' energy: -182.649 flat angles P-C4'-P energy: -111.440 tors. eta vs tors. theta energy: -229.849 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: 4, replica: 8 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -2579.368262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.368262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.368262 (E_RNA) where: Base-Base interactions energy: -1767.286 where: short stacking energy: -734.828 Base-Backbone interact. energy: -2.162 local terms energy: -809.920797 where: bonds (distance) C4'-P energy: -141.153 bonds (distance) P-C4' energy: -157.894 flat angles C4'-P-C4' energy: -181.367 flat angles P-C4'-P energy: -120.783 tors. eta vs tors. theta energy: -208.724 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: 220 Temperature: 1.100000 Total energy: -2404.107284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.107284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.107284 (E_RNA) where: Base-Base interactions energy: -1656.418 where: short stacking energy: -718.633 Base-Backbone interact. energy: 3.959 local terms energy: -751.648585 where: bonds (distance) C4'-P energy: -135.408 bonds (distance) P-C4' energy: -150.154 flat angles C4'-P-C4' energy: -159.687 flat angles P-C4'-P energy: -111.694 tors. eta vs tors. theta energy: -194.705 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: 5 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -2128.922289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.922289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.922289 (E_RNA) where: Base-Base interactions energy: -1426.317 where: short stacking energy: -626.097 Base-Backbone interact. energy: -3.996 local terms energy: -698.609605 where: bonds (distance) C4'-P energy: -148.382 bonds (distance) P-C4' energy: -139.731 flat angles C4'-P-C4' energy: -169.206 flat angles P-C4'-P energy: -91.426 tors. eta vs tors. theta energy: -149.865 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: 9 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1980.700018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.700018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.700018 (E_RNA) where: Base-Base interactions energy: -1335.773 where: short stacking energy: -577.419 Base-Backbone interact. energy: -3.323 local terms energy: -641.604057 where: bonds (distance) C4'-P energy: -142.222 bonds (distance) P-C4' energy: -162.843 flat angles C4'-P-C4' energy: -127.624 flat angles P-C4'-P energy: -85.766 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: 8, replica: 2 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1635.827791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.827791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.827791 (E_RNA) where: Base-Base interactions energy: -1065.596 where: short stacking energy: -476.841 Base-Backbone interact. energy: -0.878 local terms energy: -569.354652 where: bonds (distance) C4'-P energy: -136.831 bonds (distance) P-C4' energy: -132.734 flat angles C4'-P-C4' energy: -125.694 flat angles P-C4'-P energy: -77.671 tors. eta vs tors. theta energy: -96.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -1167.029516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.029516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.029516 (E_RNA) where: Base-Base interactions energy: -684.287 where: short stacking energy: -370.425 Base-Backbone interact. energy: -2.335 local terms energy: -480.407652 where: bonds (distance) C4'-P energy: -129.600 bonds (distance) P-C4' energy: -134.140 flat angles C4'-P-C4' energy: -108.144 flat angles P-C4'-P energy: -61.379 tors. eta vs tors. theta energy: -47.144 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: 10, replica: 3 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -662.359407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.359407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.359407 (E_RNA) where: Base-Base interactions energy: -223.199 where: short stacking energy: -190.094 Base-Backbone interact. energy: -1.972 local terms energy: -437.188284 where: bonds (distance) C4'-P energy: -138.122 bonds (distance) P-C4' energy: -122.840 flat angles C4'-P-C4' energy: -108.111 flat angles P-C4'-P energy: -69.870 tors. eta vs tors. theta energy: 1.754 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: 1, replica: 6 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -2924.637891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.637891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.637891 (E_RNA) where: Base-Base interactions energy: -2040.267 where: short stacking energy: -878.351 Base-Backbone interact. energy: -2.425 local terms energy: -881.945565 where: bonds (distance) C4'-P energy: -158.892 bonds (distance) P-C4' energy: -159.090 flat angles C4'-P-C4' energy: -183.333 flat angles P-C4'-P energy: -120.967 tors. eta vs tors. theta energy: -259.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2732.779355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.779355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.779355 (E_RNA) where: Base-Base interactions energy: -1896.976 where: short stacking energy: -824.854 Base-Backbone interact. energy: -3.899 local terms energy: -831.904631 where: bonds (distance) C4'-P energy: -154.456 bonds (distance) P-C4' energy: -157.553 flat angles C4'-P-C4' energy: -192.036 flat angles P-C4'-P energy: -115.795 tors. eta vs tors. theta energy: -212.065 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: 7 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -2658.155606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.155606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.155606 (E_RNA) where: Base-Base interactions energy: -1848.309 where: short stacking energy: -784.772 Base-Backbone interact. energy: 8.815 local terms energy: -818.661854 where: bonds (distance) C4'-P energy: -138.916 bonds (distance) P-C4' energy: -155.335 flat angles C4'-P-C4' energy: -181.264 flat angles P-C4'-P energy: -110.800 tors. eta vs tors. theta energy: -232.346 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: 221 Temperature: 1.050000 Total energy: -2645.043985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.043985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.043985 (E_RNA) where: Base-Base interactions energy: -1843.543 where: short stacking energy: -790.591 Base-Backbone interact. energy: -0.406 local terms energy: -801.094946 where: bonds (distance) C4'-P energy: -146.594 bonds (distance) P-C4' energy: -132.742 flat angles C4'-P-C4' energy: -175.741 flat angles P-C4'-P energy: -117.479 tors. eta vs tors. theta energy: -228.538 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: 5, replica: 4 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -2389.411644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.411644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.411644 (E_RNA) where: Base-Base interactions energy: -1614.409 where: short stacking energy: -716.304 Base-Backbone interact. energy: 0.752 local terms energy: -775.754370 where: bonds (distance) C4'-P energy: -139.483 bonds (distance) P-C4' energy: -155.207 flat angles C4'-P-C4' energy: -171.281 flat angles P-C4'-P energy: -105.241 tors. eta vs tors. theta energy: -204.544 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: 6, replica: 5 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -2107.932356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.932356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.932356 (E_RNA) where: Base-Base interactions energy: -1408.943 where: short stacking energy: -613.666 Base-Backbone interact. energy: -2.979 local terms energy: -696.010582 where: bonds (distance) C4'-P energy: -134.938 bonds (distance) P-C4' energy: -151.399 flat angles C4'-P-C4' energy: -168.752 flat angles P-C4'-P energy: -92.251 tors. eta vs tors. theta energy: -148.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1887.467141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.467141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.467141 (E_RNA) where: Base-Base interactions energy: -1268.680 where: short stacking energy: -557.887 Base-Backbone interact. energy: -5.721 local terms energy: -613.066671 where: bonds (distance) C4'-P energy: -127.390 bonds (distance) P-C4' energy: -133.108 flat angles C4'-P-C4' energy: -132.057 flat angles P-C4'-P energy: -102.106 tors. eta vs tors. theta energy: -118.406 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: 2 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1693.687539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.687539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.687539 (E_RNA) where: Base-Base interactions energy: -1108.180 where: short stacking energy: -472.905 Base-Backbone interact. energy: -6.781 local terms energy: -578.726679 where: bonds (distance) C4'-P energy: -128.512 bonds (distance) P-C4' energy: -140.388 flat angles C4'-P-C4' energy: -135.639 flat angles P-C4'-P energy: -73.270 tors. eta vs tors. theta energy: -100.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -1130.232611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.232611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.232611 (E_RNA) where: Base-Base interactions energy: -653.581 where: short stacking energy: -346.111 Base-Backbone interact. energy: 0.091 local terms energy: -476.743216 where: bonds (distance) C4'-P energy: -106.367 bonds (distance) P-C4' energy: -126.196 flat angles C4'-P-C4' energy: -128.676 flat angles P-C4'-P energy: -82.386 tors. eta vs tors. theta energy: -33.119 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: 10, replica: 3 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -664.562063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.562063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.562063 (E_RNA) where: Base-Base interactions energy: -274.932 where: short stacking energy: -217.393 Base-Backbone interact. energy: 7.163 local terms energy: -396.793213 where: bonds (distance) C4'-P energy: -125.657 bonds (distance) P-C4' energy: -117.933 flat angles C4'-P-C4' energy: -126.183 flat angles P-C4'-P energy: -43.936 tors. eta vs tors. theta energy: 16.916 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: 1, replica: 6 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -2918.883142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.883142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.883142 (E_RNA) where: Base-Base interactions energy: -1998.321 where: short stacking energy: -874.228 Base-Backbone interact. energy: -2.744 local terms energy: -917.818504 where: bonds (distance) C4'-P energy: -170.331 bonds (distance) P-C4' energy: -172.754 flat angles C4'-P-C4' energy: -188.499 flat angles P-C4'-P energy: -134.337 tors. eta vs tors. theta energy: -251.898 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: 2, replica: 10 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2749.897755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.897755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.897755 (E_RNA) where: Base-Base interactions energy: -1905.397 where: short stacking energy: -830.267 Base-Backbone interact. energy: 2.107 local terms energy: -846.607520 where: bonds (distance) C4'-P energy: -160.172 bonds (distance) P-C4' energy: -171.010 flat angles C4'-P-C4' energy: -182.660 flat angles P-C4'-P energy: -104.938 tors. eta vs tors. theta energy: -227.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -2699.964442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.964442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.964442 (E_RNA) where: Base-Base interactions energy: -1886.509 where: short stacking energy: -800.631 Base-Backbone interact. energy: -1.489 local terms energy: -811.966776 where: bonds (distance) C4'-P energy: -124.592 bonds (distance) P-C4' energy: -158.708 flat angles C4'-P-C4' energy: -189.947 flat angles P-C4'-P energy: -106.619 tors. eta vs tors. theta energy: -232.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -2585.622335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.622335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.622335 (E_RNA) where: Base-Base interactions energy: -1778.958 where: short stacking energy: -767.883 Base-Backbone interact. energy: -5.194 local terms energy: -801.470706 where: bonds (distance) C4'-P energy: -141.856 bonds (distance) P-C4' energy: -140.963 flat angles C4'-P-C4' energy: -180.940 flat angles P-C4'-P energy: -109.034 tors. eta vs tors. theta energy: -228.678 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: 222 Temperature: 1.100000 Total energy: -2438.021218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.021218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.021218 (E_RNA) where: Base-Base interactions energy: -1679.541 where: short stacking energy: -717.513 Base-Backbone interact. energy: -5.417 local terms energy: -753.062911 where: bonds (distance) C4'-P energy: -155.162 bonds (distance) P-C4' energy: -134.251 flat angles C4'-P-C4' energy: -170.900 flat angles P-C4'-P energy: -103.489 tors. eta vs tors. theta energy: -189.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -2130.589110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.589110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.589110 (E_RNA) where: Base-Base interactions energy: -1447.904 where: short stacking energy: -646.411 Base-Backbone interact. energy: 1.584 local terms energy: -684.268869 where: bonds (distance) C4'-P energy: -136.588 bonds (distance) P-C4' energy: -137.422 flat angles C4'-P-C4' energy: -152.249 flat angles P-C4'-P energy: -80.723 tors. eta vs tors. theta energy: -177.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1892.547019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.547019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.547019 (E_RNA) where: Base-Base interactions energy: -1243.613 where: short stacking energy: -567.458 Base-Backbone interact. energy: -2.992 local terms energy: -645.942203 where: bonds (distance) C4'-P energy: -136.053 bonds (distance) P-C4' energy: -153.630 flat angles C4'-P-C4' energy: -140.190 flat angles P-C4'-P energy: -84.238 tors. eta vs tors. theta energy: -131.831 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: 2 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1732.634637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.634637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.634637 (E_RNA) where: Base-Base interactions energy: -1111.664 where: short stacking energy: -492.900 Base-Backbone interact. energy: 2.470 local terms energy: -623.440678 where: bonds (distance) C4'-P energy: -141.212 bonds (distance) P-C4' energy: -137.451 flat angles C4'-P-C4' energy: -151.805 flat angles P-C4'-P energy: -77.566 tors. eta vs tors. theta energy: -115.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -1075.977407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.977407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.977407 (E_RNA) where: Base-Base interactions energy: -576.780 where: short stacking energy: -310.592 Base-Backbone interact. energy: -2.091 local terms energy: -497.105671 where: bonds (distance) C4'-P energy: -131.882 bonds (distance) P-C4' energy: -128.566 flat angles C4'-P-C4' energy: -132.614 flat angles P-C4'-P energy: -85.783 tors. eta vs tors. theta energy: -18.261 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: 3 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -708.265207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.265207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.265207 (E_RNA) where: Base-Base interactions energy: -293.267 where: short stacking energy: -226.592 Base-Backbone interact. energy: 0.386 local terms energy: -415.384327 where: bonds (distance) C4'-P energy: -106.945 bonds (distance) P-C4' energy: -134.497 flat angles C4'-P-C4' energy: -113.977 flat angles P-C4'-P energy: -67.336 tors. eta vs tors. theta energy: 7.371 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: 6 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -2881.042474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.042474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.042474 (E_RNA) where: Base-Base interactions energy: -1989.704 where: short stacking energy: -863.639 Base-Backbone interact. energy: -1.360 local terms energy: -889.978220 where: bonds (distance) C4'-P energy: -162.978 bonds (distance) P-C4' energy: -171.747 flat angles C4'-P-C4' energy: -186.968 flat angles P-C4'-P energy: -124.000 tors. eta vs tors. theta energy: -244.286 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: 10 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -2768.835967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.835967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.835967 (E_RNA) where: Base-Base interactions energy: -1905.104 where: short stacking energy: -829.923 Base-Backbone interact. energy: 1.822 local terms energy: -865.553633 where: bonds (distance) C4'-P energy: -151.955 bonds (distance) P-C4' energy: -162.669 flat angles C4'-P-C4' energy: -181.019 flat angles P-C4'-P energy: -126.105 tors. eta vs tors. theta energy: -243.805 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: 7 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -2717.099312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.099312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.099312 (E_RNA) where: Base-Base interactions energy: -1869.301 where: short stacking energy: -814.498 Base-Backbone interact. energy: -4.235 local terms energy: -843.564262 where: bonds (distance) C4'-P energy: -153.383 bonds (distance) P-C4' energy: -168.257 flat angles C4'-P-C4' energy: -178.023 flat angles P-C4'-P energy: -117.935 tors. eta vs tors. theta energy: -225.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -2577.967304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.967304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.967304 (E_RNA) where: Base-Base interactions energy: -1781.680 where: short stacking energy: -762.890 Base-Backbone interact. energy: -1.294 local terms energy: -794.993187 where: bonds (distance) C4'-P energy: -148.158 bonds (distance) P-C4' energy: -144.998 flat angles C4'-P-C4' energy: -165.018 flat angles P-C4'-P energy: -122.071 tors. eta vs tors. theta energy: -214.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -2446.428091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.428091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.428091 (E_RNA) where: Base-Base interactions energy: -1674.606 where: short stacking energy: -754.271 Base-Backbone interact. energy: -1.925 local terms energy: -769.897151 where: bonds (distance) C4'-P energy: -146.463 bonds (distance) P-C4' energy: -133.525 flat angles C4'-P-C4' energy: -159.643 flat angles P-C4'-P energy: -116.229 tors. eta vs tors. theta energy: -214.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -2160.727723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.727723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.727723 (E_RNA) where: Base-Base interactions energy: -1501.459 where: short stacking energy: -642.889 Base-Backbone interact. energy: -1.401 local terms energy: -657.867895 where: bonds (distance) C4'-P energy: -131.601 bonds (distance) P-C4' energy: -131.906 flat angles C4'-P-C4' energy: -144.352 flat angles P-C4'-P energy: -92.942 tors. eta vs tors. theta energy: -157.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1950.977664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.977664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.977664 (E_RNA) where: Base-Base interactions energy: -1322.829 where: short stacking energy: -585.128 Base-Backbone interact. energy: -5.098 local terms energy: -623.050749 where: bonds (distance) C4'-P energy: -121.216 bonds (distance) P-C4' energy: -120.094 flat angles C4'-P-C4' energy: -144.452 flat angles P-C4'-P energy: -105.803 tors. eta vs tors. theta energy: -131.487 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: 2 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1722.016604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.016604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.016604 (E_RNA) where: Base-Base interactions energy: -1140.609 where: short stacking energy: -508.384 Base-Backbone interact. energy: -5.417 local terms energy: -575.990423 where: bonds (distance) C4'-P energy: -135.949 bonds (distance) P-C4' energy: -125.793 flat angles C4'-P-C4' energy: -128.204 flat angles P-C4'-P energy: -75.121 tors. eta vs tors. theta energy: -110.923 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: 9, replica: 1 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -1078.474917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.474917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.474917 (E_RNA) where: Base-Base interactions energy: -580.319 where: short stacking energy: -275.613 Base-Backbone interact. energy: -4.544 local terms energy: -493.611437 where: bonds (distance) C4'-P energy: -108.482 bonds (distance) P-C4' energy: -158.687 flat angles C4'-P-C4' energy: -133.013 flat angles P-C4'-P energy: -74.857 tors. eta vs tors. theta energy: -18.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -733.777749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.777749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.777749 (E_RNA) where: Base-Base interactions energy: -293.364 where: short stacking energy: -249.428 Base-Backbone interact. energy: -1.090 local terms energy: -439.322843 where: bonds (distance) C4'-P energy: -105.320 bonds (distance) P-C4' energy: -137.452 flat angles C4'-P-C4' energy: -126.918 flat angles P-C4'-P energy: -67.057 tors. eta vs tors. theta energy: -2.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -2905.233894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.233894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.233894 (E_RNA) where: Base-Base interactions energy: -2008.431 where: short stacking energy: -872.725 Base-Backbone interact. energy: -2.135 local terms energy: -894.667545 where: bonds (distance) C4'-P energy: -173.000 bonds (distance) P-C4' energy: -159.527 flat angles C4'-P-C4' energy: -173.198 flat angles P-C4'-P energy: -131.186 tors. eta vs tors. theta energy: -257.756 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: 10 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -2748.162603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.162603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.162603 (E_RNA) where: Base-Base interactions energy: -1893.247 where: short stacking energy: -814.967 Base-Backbone interact. energy: -2.622 local terms energy: -852.293429 where: bonds (distance) C4'-P energy: -148.659 bonds (distance) P-C4' energy: -166.555 flat angles C4'-P-C4' energy: -189.048 flat angles P-C4'-P energy: -111.659 tors. eta vs tors. theta energy: -236.373 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: 7 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2715.575113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.575113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.575113 (E_RNA) where: Base-Base interactions energy: -1899.158 where: short stacking energy: -843.758 Base-Backbone interact. energy: 1.234 local terms energy: -817.651401 where: bonds (distance) C4'-P energy: -140.043 bonds (distance) P-C4' energy: -142.828 flat angles C4'-P-C4' energy: -186.654 flat angles P-C4'-P energy: -109.744 tors. eta vs tors. theta energy: -238.382 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: 4, replica: 8 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -2533.836970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.836970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.836970 (E_RNA) where: Base-Base interactions energy: -1765.294 where: short stacking energy: -791.931 Base-Backbone interact. energy: -2.352 local terms energy: -766.190328 where: bonds (distance) C4'-P energy: -137.086 bonds (distance) P-C4' energy: -120.434 flat angles C4'-P-C4' energy: -171.810 flat angles P-C4'-P energy: -115.282 tors. eta vs tors. theta energy: -221.577 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: 4 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -2430.646610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.646610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.646610 (E_RNA) where: Base-Base interactions energy: -1684.420 where: short stacking energy: -718.508 Base-Backbone interact. energy: -2.913 local terms energy: -743.313805 where: bonds (distance) C4'-P energy: -135.457 bonds (distance) P-C4' energy: -137.520 flat angles C4'-P-C4' energy: -171.313 flat angles P-C4'-P energy: -96.869 tors. eta vs tors. theta energy: -202.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -2073.934149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.934149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.934149 (E_RNA) where: Base-Base interactions energy: -1419.837 where: short stacking energy: -599.779 Base-Backbone interact. energy: -7.011 local terms energy: -647.086459 where: bonds (distance) C4'-P energy: -126.833 bonds (distance) P-C4' energy: -154.344 flat angles C4'-P-C4' energy: -143.493 flat angles P-C4'-P energy: -75.768 tors. eta vs tors. theta energy: -146.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -2023.307472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.307472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.307472 (E_RNA) where: Base-Base interactions energy: -1367.054 where: short stacking energy: -597.291 Base-Backbone interact. energy: -5.329 local terms energy: -650.924565 where: bonds (distance) C4'-P energy: -122.690 bonds (distance) P-C4' energy: -139.057 flat angles C4'-P-C4' energy: -152.286 flat angles P-C4'-P energy: -92.585 tors. eta vs tors. theta energy: -144.307 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: 8, replica: 2 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1664.324861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.324861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.324861 (E_RNA) where: Base-Base interactions energy: -1058.071 where: short stacking energy: -498.327 Base-Backbone interact. energy: -3.278 local terms energy: -602.976095 where: bonds (distance) C4'-P energy: -143.816 bonds (distance) P-C4' energy: -137.993 flat angles C4'-P-C4' energy: -134.988 flat angles P-C4'-P energy: -86.613 tors. eta vs tors. theta energy: -99.566 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: 1 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -1042.795634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.795634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.795634 (E_RNA) where: Base-Base interactions energy: -563.355 where: short stacking energy: -279.389 Base-Backbone interact. energy: -3.539 local terms energy: -475.901216 where: bonds (distance) C4'-P energy: -145.908 bonds (distance) P-C4' energy: -140.913 flat angles C4'-P-C4' energy: -112.612 flat angles P-C4'-P energy: -78.206 tors. eta vs tors. theta energy: 1.738 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: 10, replica: 3 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -772.141805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.141805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.141805 (E_RNA) where: Base-Base interactions energy: -367.804 where: short stacking energy: -252.161 Base-Backbone interact. energy: -0.719 local terms energy: -403.619006 where: bonds (distance) C4'-P energy: -129.866 bonds (distance) P-C4' energy: -126.419 flat angles C4'-P-C4' energy: -101.763 flat angles P-C4'-P energy: -49.004 tors. eta vs tors. theta energy: 3.433 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: 6 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -2918.644831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.644831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.644831 (E_RNA) where: Base-Base interactions energy: -2021.766 where: short stacking energy: -857.984 Base-Backbone interact. energy: -3.676 local terms energy: -893.202468 where: bonds (distance) C4'-P energy: -156.552 bonds (distance) P-C4' energy: -157.072 flat angles C4'-P-C4' energy: -180.812 flat angles P-C4'-P energy: -142.730 tors. eta vs tors. theta energy: -256.036 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: 2, replica: 7 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2778.220952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.220952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.220952 (E_RNA) where: Base-Base interactions energy: -1914.370 where: short stacking energy: -828.593 Base-Backbone interact. energy: -4.919 local terms energy: -858.932224 where: bonds (distance) C4'-P energy: -154.402 bonds (distance) P-C4' energy: -161.210 flat angles C4'-P-C4' energy: -176.000 flat angles P-C4'-P energy: -121.646 tors. eta vs tors. theta energy: -245.674 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: 3, replica: 10 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -2723.245946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.245946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.245946 (E_RNA) where: Base-Base interactions energy: -1886.656 where: short stacking energy: -827.841 Base-Backbone interact. energy: -2.023 local terms energy: -834.567246 where: bonds (distance) C4'-P energy: -161.256 bonds (distance) P-C4' energy: -156.271 flat angles C4'-P-C4' energy: -183.518 flat angles P-C4'-P energy: -111.467 tors. eta vs tors. theta energy: -222.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -2513.659230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.659230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.659230 (E_RNA) where: Base-Base interactions energy: -1748.437 where: short stacking energy: -739.504 Base-Backbone interact. energy: -2.717 local terms energy: -762.506133 where: bonds (distance) C4'-P energy: -151.268 bonds (distance) P-C4' energy: -129.516 flat angles C4'-P-C4' energy: -167.160 flat angles P-C4'-P energy: -113.117 tors. eta vs tors. theta energy: -201.446 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: 4 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -2440.268712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.268712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.268712 (E_RNA) where: Base-Base interactions energy: -1683.125 where: short stacking energy: -738.221 Base-Backbone interact. energy: -0.070 local terms energy: -757.074485 where: bonds (distance) C4'-P energy: -133.406 bonds (distance) P-C4' energy: -157.735 flat angles C4'-P-C4' energy: -165.399 flat angles P-C4'-P energy: -108.230 tors. eta vs tors. theta energy: -192.305 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: 6, replica: 5 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -2124.149776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.149776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.149776 (E_RNA) where: Base-Base interactions energy: -1437.127 where: short stacking energy: -629.140 Base-Backbone interact. energy: -2.857 local terms energy: -684.165421 where: bonds (distance) C4'-P energy: -125.136 bonds (distance) P-C4' energy: -133.590 flat angles C4'-P-C4' energy: -177.172 flat angles P-C4'-P energy: -99.859 tors. eta vs tors. theta energy: -148.409 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: 9 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1935.330294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.330294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.330294 (E_RNA) where: Base-Base interactions energy: -1287.668 where: short stacking energy: -565.642 Base-Backbone interact. energy: -1.327 local terms energy: -646.335742 where: bonds (distance) C4'-P energy: -119.610 bonds (distance) P-C4' energy: -156.414 flat angles C4'-P-C4' energy: -140.055 flat angles P-C4'-P energy: -101.322 tors. eta vs tors. theta energy: -128.935 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: 8, replica: 2 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1530.681269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.681269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.681269 (E_RNA) where: Base-Base interactions energy: -980.516 where: short stacking energy: -462.845 Base-Backbone interact. energy: 5.729 local terms energy: -555.894788 where: bonds (distance) C4'-P energy: -120.317 bonds (distance) P-C4' energy: -125.786 flat angles C4'-P-C4' energy: -136.299 flat angles P-C4'-P energy: -84.464 tors. eta vs tors. theta energy: -89.030 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: 1 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -1128.039300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.039300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.039300 (E_RNA) where: Base-Base interactions energy: -632.581 where: short stacking energy: -319.873 Base-Backbone interact. energy: -0.264 local terms energy: -495.194170 where: bonds (distance) C4'-P energy: -121.999 bonds (distance) P-C4' energy: -139.949 flat angles C4'-P-C4' energy: -127.601 flat angles P-C4'-P energy: -69.553 tors. eta vs tors. theta energy: -36.092 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: 3 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -790.837789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.837789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.837789 (E_RNA) where: Base-Base interactions energy: -402.764 where: short stacking energy: -233.083 Base-Backbone interact. energy: -0.190 local terms energy: -387.884152 where: bonds (distance) C4'-P energy: -103.541 bonds (distance) P-C4' energy: -124.927 flat angles C4'-P-C4' energy: -115.593 flat angles P-C4'-P energy: -62.967 tors. eta vs tors. theta energy: 19.143 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: 1, replica: 6 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -2924.842133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.842133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.842133 (E_RNA) where: Base-Base interactions energy: -2039.361 where: short stacking energy: -883.909 Base-Backbone interact. energy: -3.076 local terms energy: -882.405209 where: bonds (distance) C4'-P energy: -146.782 bonds (distance) P-C4' energy: -160.128 flat angles C4'-P-C4' energy: -183.849 flat angles P-C4'-P energy: -133.030 tors. eta vs tors. theta energy: -258.617 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: 2, replica: 7 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2751.903566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.903566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.903566 (E_RNA) where: Base-Base interactions energy: -1897.965 where: short stacking energy: -840.314 Base-Backbone interact. energy: -4.275 local terms energy: -849.664158 where: bonds (distance) C4'-P energy: -153.725 bonds (distance) P-C4' energy: -162.173 flat angles C4'-P-C4' energy: -182.840 flat angles P-C4'-P energy: -110.077 tors. eta vs tors. theta energy: -240.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -2710.859514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.859514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.859514 (E_RNA) where: Base-Base interactions energy: -1877.351 where: short stacking energy: -844.968 Base-Backbone interact. energy: -1.009 local terms energy: -832.499311 where: bonds (distance) C4'-P energy: -156.277 bonds (distance) P-C4' energy: -147.294 flat angles C4'-P-C4' energy: -184.064 flat angles P-C4'-P energy: -107.800 tors. eta vs tors. theta energy: -237.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -2591.836297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.836297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.836297 (E_RNA) where: Base-Base interactions energy: -1804.229 where: short stacking energy: -811.677 Base-Backbone interact. energy: -3.135 local terms energy: -784.471943 where: bonds (distance) C4'-P energy: -138.622 bonds (distance) P-C4' energy: -146.017 flat angles C4'-P-C4' energy: -153.907 flat angles P-C4'-P energy: -107.166 tors. eta vs tors. theta energy: -238.760 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: 226 Temperature: 1.100000 Total energy: -2447.379210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.379210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.379210 (E_RNA) where: Base-Base interactions energy: -1689.443 where: short stacking energy: -745.008 Base-Backbone interact. energy: -4.100 local terms energy: -753.836307 where: bonds (distance) C4'-P energy: -134.544 bonds (distance) P-C4' energy: -142.515 flat angles C4'-P-C4' energy: -162.398 flat angles P-C4'-P energy: -110.887 tors. eta vs tors. theta energy: -203.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -2098.279681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.279681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.279681 (E_RNA) where: Base-Base interactions energy: -1471.315 where: short stacking energy: -626.471 Base-Backbone interact. energy: -2.326 local terms energy: -624.638898 where: bonds (distance) C4'-P energy: -104.105 bonds (distance) P-C4' energy: -145.860 flat angles C4'-P-C4' energy: -157.414 flat angles P-C4'-P energy: -71.230 tors. eta vs tors. theta energy: -146.029 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: 226 Temperature: 1.200000 Total energy: -1872.994669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.994669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.994669 (E_RNA) where: Base-Base interactions energy: -1211.432 where: short stacking energy: -529.928 Base-Backbone interact. energy: -0.366 local terms energy: -661.197107 where: bonds (distance) C4'-P energy: -159.724 bonds (distance) P-C4' energy: -128.206 flat angles C4'-P-C4' energy: -155.959 flat angles P-C4'-P energy: -105.367 tors. eta vs tors. theta energy: -111.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1525.847974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.847974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.847974 (E_RNA) where: Base-Base interactions energy: -979.909 where: short stacking energy: -457.558 Base-Backbone interact. energy: -2.567 local terms energy: -543.372018 where: bonds (distance) C4'-P energy: -117.112 bonds (distance) P-C4' energy: -145.504 flat angles C4'-P-C4' energy: -121.763 flat angles P-C4'-P energy: -87.840 tors. eta vs tors. theta energy: -71.154 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: 9, replica: 1 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -1132.454992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.454992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.454992 (E_RNA) where: Base-Base interactions energy: -643.903 where: short stacking energy: -354.397 Base-Backbone interact. energy: 0.522 local terms energy: -489.073415 where: bonds (distance) C4'-P energy: -128.911 bonds (distance) P-C4' energy: -123.243 flat angles C4'-P-C4' energy: -125.175 flat angles P-C4'-P energy: -73.650 tors. eta vs tors. theta energy: -38.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -759.760387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.760387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.760387 (E_RNA) where: Base-Base interactions energy: -312.511 where: short stacking energy: -235.682 Base-Backbone interact. energy: 2.800 local terms energy: -450.049440 where: bonds (distance) C4'-P energy: -147.105 bonds (distance) P-C4' energy: -125.717 flat angles C4'-P-C4' energy: -106.066 flat angles P-C4'-P energy: -68.491 tors. eta vs tors. theta energy: -2.671 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: 1, replica: 6 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -2922.883028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.883028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.883028 (E_RNA) where: Base-Base interactions energy: -2026.405 where: short stacking energy: -882.952 Base-Backbone interact. energy: -4.104 local terms energy: -892.373875 where: bonds (distance) C4'-P energy: -160.204 bonds (distance) P-C4' energy: -162.410 flat angles C4'-P-C4' energy: -190.182 flat angles P-C4'-P energy: -132.009 tors. eta vs tors. theta energy: -247.569 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: 2, replica: 7 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -2780.697185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.697185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.697185 (E_RNA) where: Base-Base interactions energy: -1932.143 where: short stacking energy: -843.322 Base-Backbone interact. energy: 1.945 local terms energy: -850.498966 where: bonds (distance) C4'-P energy: -157.088 bonds (distance) P-C4' energy: -150.516 flat angles C4'-P-C4' energy: -173.048 flat angles P-C4'-P energy: -115.875 tors. eta vs tors. theta energy: -253.971 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: 3, replica: 10 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -2708.354488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.354488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.354488 (E_RNA) where: Base-Base interactions energy: -1892.851 where: short stacking energy: -801.488 Base-Backbone interact. energy: -0.324 local terms energy: -815.179201 where: bonds (distance) C4'-P energy: -163.001 bonds (distance) P-C4' energy: -151.968 flat angles C4'-P-C4' energy: -172.192 flat angles P-C4'-P energy: -114.761 tors. eta vs tors. theta energy: -213.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -2571.516885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.516885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.516885 (E_RNA) where: Base-Base interactions energy: -1773.079 where: short stacking energy: -790.796 Base-Backbone interact. energy: -4.543 local terms energy: -793.894843 where: bonds (distance) C4'-P energy: -143.225 bonds (distance) P-C4' energy: -141.235 flat angles C4'-P-C4' energy: -181.284 flat angles P-C4'-P energy: -107.344 tors. eta vs tors. theta energy: -220.808 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: 5, replica: 4 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -2412.975797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.975797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.975797 (E_RNA) where: Base-Base interactions energy: -1661.229 where: short stacking energy: -716.753 Base-Backbone interact. energy: -0.569 local terms energy: -751.178310 where: bonds (distance) C4'-P energy: -150.295 bonds (distance) P-C4' energy: -139.615 flat angles C4'-P-C4' energy: -169.043 flat angles P-C4'-P energy: -105.231 tors. eta vs tors. theta energy: -186.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -2191.468862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.468862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.468862 (E_RNA) where: Base-Base interactions energy: -1477.061 where: short stacking energy: -628.565 Base-Backbone interact. energy: -0.500 local terms energy: -713.908511 where: bonds (distance) C4'-P energy: -144.971 bonds (distance) P-C4' energy: -138.615 flat angles C4'-P-C4' energy: -166.439 flat angles P-C4'-P energy: -107.570 tors. eta vs tors. theta energy: -156.313 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: 9 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1863.071247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.071247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.071247 (E_RNA) where: Base-Base interactions energy: -1264.645 where: short stacking energy: -564.554 Base-Backbone interact. energy: -2.576 local terms energy: -595.850462 where: bonds (distance) C4'-P energy: -127.203 bonds (distance) P-C4' energy: -118.617 flat angles C4'-P-C4' energy: -147.184 flat angles P-C4'-P energy: -85.053 tors. eta vs tors. theta energy: -117.795 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: 8, replica: 2 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1503.173364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.173364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.173364 (E_RNA) where: Base-Base interactions energy: -929.083 where: short stacking energy: -421.881 Base-Backbone interact. energy: -3.964 local terms energy: -570.126765 where: bonds (distance) C4'-P energy: -134.128 bonds (distance) P-C4' energy: -136.354 flat angles C4'-P-C4' energy: -131.214 flat angles P-C4'-P energy: -84.243 tors. eta vs tors. theta energy: -84.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -1132.403205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.403205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.403205 (E_RNA) where: Base-Base interactions energy: -664.087 where: short stacking energy: -351.645 Base-Backbone interact. energy: 1.632 local terms energy: -469.948372 where: bonds (distance) C4'-P energy: -115.618 bonds (distance) P-C4' energy: -129.923 flat angles C4'-P-C4' energy: -118.469 flat angles P-C4'-P energy: -67.120 tors. eta vs tors. theta energy: -38.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -815.705125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.705125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.705125 (E_RNA) where: Base-Base interactions energy: -420.299 where: short stacking energy: -282.229 Base-Backbone interact. energy: 2.652 local terms energy: -398.058380 where: bonds (distance) C4'-P energy: -115.239 bonds (distance) P-C4' energy: -130.044 flat angles C4'-P-C4' energy: -94.146 flat angles P-C4'-P energy: -64.137 tors. eta vs tors. theta energy: 5.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -2911.969227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.969227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.969227 (E_RNA) where: Base-Base interactions energy: -2016.550 where: short stacking energy: -884.295 Base-Backbone interact. energy: -3.445 local terms energy: -891.974514 where: bonds (distance) C4'-P energy: -162.097 bonds (distance) P-C4' energy: -159.406 flat angles C4'-P-C4' energy: -187.894 flat angles P-C4'-P energy: -133.104 tors. eta vs tors. theta energy: -249.474 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: 2, replica: 7 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2761.789381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.789381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.789381 (E_RNA) where: Base-Base interactions energy: -1898.388 where: short stacking energy: -828.204 Base-Backbone interact. energy: -1.757 local terms energy: -861.644278 where: bonds (distance) C4'-P energy: -152.494 bonds (distance) P-C4' energy: -159.949 flat angles C4'-P-C4' energy: -183.090 flat angles P-C4'-P energy: -130.956 tors. eta vs tors. theta energy: -235.154 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: 3, replica: 10 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -2697.066102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.066102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.066102 (E_RNA) where: Base-Base interactions energy: -1901.668 where: short stacking energy: -801.317 Base-Backbone interact. energy: -5.091 local terms energy: -790.307139 where: bonds (distance) C4'-P energy: -147.794 bonds (distance) P-C4' energy: -148.491 flat angles C4'-P-C4' energy: -175.582 flat angles P-C4'-P energy: -109.324 tors. eta vs tors. theta energy: -209.116 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: 8 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -2603.967869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.967869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.967869 (E_RNA) where: Base-Base interactions energy: -1796.726 where: short stacking energy: -783.387 Base-Backbone interact. energy: -2.833 local terms energy: -804.409170 where: bonds (distance) C4'-P energy: -143.412 bonds (distance) P-C4' energy: -165.803 flat angles C4'-P-C4' energy: -160.844 flat angles P-C4'-P energy: -112.674 tors. eta vs tors. theta energy: -221.676 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: 228 Temperature: 1.100000 Total energy: -2373.343528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.343528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.343528 (E_RNA) where: Base-Base interactions energy: -1626.094 where: short stacking energy: -708.750 Base-Backbone interact. energy: -1.368 local terms energy: -745.881258 where: bonds (distance) C4'-P energy: -143.991 bonds (distance) P-C4' energy: -137.356 flat angles C4'-P-C4' energy: -177.471 flat angles P-C4'-P energy: -100.570 tors. eta vs tors. theta energy: -186.493 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: 5 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -2243.512999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.512999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.512999 (E_RNA) where: Base-Base interactions energy: -1528.590 where: short stacking energy: -647.313 Base-Backbone interact. energy: -1.970 local terms energy: -712.952987 where: bonds (distance) C4'-P energy: -121.015 bonds (distance) P-C4' energy: -149.637 flat angles C4'-P-C4' energy: -159.450 flat angles P-C4'-P energy: -102.136 tors. eta vs tors. theta energy: -180.714 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: 9 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1867.339810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.339810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.339810 (E_RNA) where: Base-Base interactions energy: -1247.566 where: short stacking energy: -565.588 Base-Backbone interact. energy: 0.923 local terms energy: -620.696447 where: bonds (distance) C4'-P energy: -146.701 bonds (distance) P-C4' energy: -155.038 flat angles C4'-P-C4' energy: -138.866 flat angles P-C4'-P energy: -74.007 tors. eta vs tors. theta energy: -106.084 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: 8, replica: 2 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1504.521844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.521844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.521844 (E_RNA) where: Base-Base interactions energy: -914.698 where: short stacking energy: -427.709 Base-Backbone interact. energy: 1.006 local terms energy: -590.829501 where: bonds (distance) C4'-P energy: -125.708 bonds (distance) P-C4' energy: -137.013 flat angles C4'-P-C4' energy: -161.821 flat angles P-C4'-P energy: -94.071 tors. eta vs tors. theta energy: -72.216 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: 1 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -1108.797246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.797246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.797246 (E_RNA) where: Base-Base interactions energy: -628.851 where: short stacking energy: -321.073 Base-Backbone interact. energy: -3.380 local terms energy: -476.566586 where: bonds (distance) C4'-P energy: -132.381 bonds (distance) P-C4' energy: -135.995 flat angles C4'-P-C4' energy: -110.761 flat angles P-C4'-P energy: -62.416 tors. eta vs tors. theta energy: -35.014 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: 10, replica: 3 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -870.449570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.449570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.449570 (E_RNA) where: Base-Base interactions energy: -413.583 where: short stacking energy: -250.693 Base-Backbone interact. energy: 2.260 local terms energy: -459.126495 where: bonds (distance) C4'-P energy: -120.481 bonds (distance) P-C4' energy: -129.846 flat angles C4'-P-C4' energy: -141.410 flat angles P-C4'-P energy: -63.632 tors. eta vs tors. theta energy: -3.757 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: 6 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -2885.319260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.319260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.319260 (E_RNA) where: Base-Base interactions energy: -2010.407 where: short stacking energy: -868.981 Base-Backbone interact. energy: -5.292 local terms energy: -869.620625 where: bonds (distance) C4'-P energy: -142.511 bonds (distance) P-C4' energy: -151.631 flat angles C4'-P-C4' energy: -192.736 flat angles P-C4'-P energy: -136.385 tors. eta vs tors. theta energy: -246.358 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: 7 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -2785.584395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.584395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.584395 (E_RNA) where: Base-Base interactions energy: -1900.992 where: short stacking energy: -836.609 Base-Backbone interact. energy: -3.224 local terms energy: -881.368134 where: bonds (distance) C4'-P energy: -153.135 bonds (distance) P-C4' energy: -160.697 flat angles C4'-P-C4' energy: -188.702 flat angles P-C4'-P energy: -122.897 tors. eta vs tors. theta energy: -255.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2692.026446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.026446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.026446 (E_RNA) where: Base-Base interactions energy: -1878.544 where: short stacking energy: -802.101 Base-Backbone interact. energy: -4.632 local terms energy: -808.850812 where: bonds (distance) C4'-P energy: -155.344 bonds (distance) P-C4' energy: -144.025 flat angles C4'-P-C4' energy: -176.932 flat angles P-C4'-P energy: -117.364 tors. eta vs tors. theta energy: -215.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -2597.845897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.845897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.845897 (E_RNA) where: Base-Base interactions energy: -1785.546 where: short stacking energy: -778.123 Base-Backbone interact. energy: -0.645 local terms energy: -811.655542 where: bonds (distance) C4'-P energy: -148.026 bonds (distance) P-C4' energy: -143.952 flat angles C4'-P-C4' energy: -185.455 flat angles P-C4'-P energy: -111.074 tors. eta vs tors. theta energy: -223.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -2395.903798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.903798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.903798 (E_RNA) where: Base-Base interactions energy: -1637.900 where: short stacking energy: -702.172 Base-Backbone interact. energy: -4.824 local terms energy: -753.179933 where: bonds (distance) C4'-P energy: -141.999 bonds (distance) P-C4' energy: -146.393 flat angles C4'-P-C4' energy: -171.203 flat angles P-C4'-P energy: -101.331 tors. eta vs tors. theta energy: -192.253 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: 6, replica: 5 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -2207.977089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.977089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.977089 (E_RNA) where: Base-Base interactions energy: -1506.866 where: short stacking energy: -645.078 Base-Backbone interact. energy: -2.444 local terms energy: -698.666741 where: bonds (distance) C4'-P energy: -128.086 bonds (distance) P-C4' energy: -137.540 flat angles C4'-P-C4' energy: -160.514 flat angles P-C4'-P energy: -98.872 tors. eta vs tors. theta energy: -173.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1969.477838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.477838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.477838 (E_RNA) where: Base-Base interactions energy: -1320.175 where: short stacking energy: -575.988 Base-Backbone interact. energy: 0.461 local terms energy: -649.763188 where: bonds (distance) C4'-P energy: -154.154 bonds (distance) P-C4' energy: -142.087 flat angles C4'-P-C4' energy: -142.888 flat angles P-C4'-P energy: -87.008 tors. eta vs tors. theta energy: -123.626 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: 8, replica: 2 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1493.797466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.797466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.797466 (E_RNA) where: Base-Base interactions energy: -960.753 where: short stacking energy: -436.367 Base-Backbone interact. energy: 3.580 local terms energy: -536.624268 where: bonds (distance) C4'-P energy: -117.823 bonds (distance) P-C4' energy: -142.722 flat angles C4'-P-C4' energy: -134.384 flat angles P-C4'-P energy: -69.336 tors. eta vs tors. theta energy: -72.359 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: 1 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -1070.684359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.684359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.684359 (E_RNA) where: Base-Base interactions energy: -587.065 where: short stacking energy: -309.313 Base-Backbone interact. energy: -4.640 local terms energy: -478.978873 where: bonds (distance) C4'-P energy: -109.791 bonds (distance) P-C4' energy: -132.264 flat angles C4'-P-C4' energy: -134.811 flat angles P-C4'-P energy: -78.559 tors. eta vs tors. theta energy: -23.555 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: 3 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -920.365165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.365165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.365165 (E_RNA) where: Base-Base interactions energy: -477.897 where: short stacking energy: -273.624 Base-Backbone interact. energy: -3.692 local terms energy: -438.775901 where: bonds (distance) C4'-P energy: -118.270 bonds (distance) P-C4' energy: -140.111 flat angles C4'-P-C4' energy: -101.778 flat angles P-C4'-P energy: -71.303 tors. eta vs tors. theta energy: -7.314 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: 6 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -2920.090680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.090680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.090680 (E_RNA) where: Base-Base interactions energy: -2054.567 where: short stacking energy: -873.469 Base-Backbone interact. energy: -3.379 local terms energy: -862.144421 where: bonds (distance) C4'-P energy: -152.004 bonds (distance) P-C4' energy: -164.043 flat angles C4'-P-C4' energy: -181.773 flat angles P-C4'-P energy: -123.262 tors. eta vs tors. theta energy: -241.062 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: 7 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -2789.056801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.056801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.056801 (E_RNA) where: Base-Base interactions energy: -1940.664 where: short stacking energy: -843.799 Base-Backbone interact. energy: -0.166 local terms energy: -848.226407 where: bonds (distance) C4'-P energy: -149.741 bonds (distance) P-C4' energy: -151.129 flat angles C4'-P-C4' energy: -187.516 flat angles P-C4'-P energy: -114.470 tors. eta vs tors. theta energy: -245.371 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: 3, replica: 10 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -2668.032842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.032842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.032842 (E_RNA) where: Base-Base interactions energy: -1870.895 where: short stacking energy: -819.253 Base-Backbone interact. energy: -3.811 local terms energy: -793.327544 where: bonds (distance) C4'-P energy: -134.510 bonds (distance) P-C4' energy: -132.998 flat angles C4'-P-C4' energy: -181.590 flat angles P-C4'-P energy: -122.695 tors. eta vs tors. theta energy: -221.535 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: 4, replica: 8 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -2634.711963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.711963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.711963 (E_RNA) where: Base-Base interactions energy: -1838.862 where: short stacking energy: -794.614 Base-Backbone interact. energy: -3.447 local terms energy: -792.403591 where: bonds (distance) C4'-P energy: -131.757 bonds (distance) P-C4' energy: -139.909 flat angles C4'-P-C4' energy: -174.997 flat angles P-C4'-P energy: -111.345 tors. eta vs tors. theta energy: -234.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -2370.790083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.790083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.790083 (E_RNA) where: Base-Base interactions energy: -1632.947 where: short stacking energy: -703.953 Base-Backbone interact. energy: -2.636 local terms energy: -735.207304 where: bonds (distance) C4'-P energy: -139.587 bonds (distance) P-C4' energy: -141.113 flat angles C4'-P-C4' energy: -172.165 flat angles P-C4'-P energy: -104.715 tors. eta vs tors. theta energy: -177.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -2174.706792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.706792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.706792 (E_RNA) where: Base-Base interactions energy: -1502.454 where: short stacking energy: -653.488 Base-Backbone interact. energy: -1.778 local terms energy: -670.475055 where: bonds (distance) C4'-P energy: -119.987 bonds (distance) P-C4' energy: -132.581 flat angles C4'-P-C4' energy: -158.918 flat angles P-C4'-P energy: -97.955 tors. eta vs tors. theta energy: -161.033 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: 9 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1921.876917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.876917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.876917 (E_RNA) where: Base-Base interactions energy: -1310.717 where: short stacking energy: -556.241 Base-Backbone interact. energy: -2.778 local terms energy: -608.381917 where: bonds (distance) C4'-P energy: -138.061 bonds (distance) P-C4' energy: -132.566 flat angles C4'-P-C4' energy: -169.591 flat angles P-C4'-P energy: -62.184 tors. eta vs tors. theta energy: -105.980 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: 2 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1545.238674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.238674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.238674 (E_RNA) where: Base-Base interactions energy: -971.546 where: short stacking energy: -448.677 Base-Backbone interact. energy: 11.761 local terms energy: -585.454591 where: bonds (distance) C4'-P energy: -141.668 bonds (distance) P-C4' energy: -137.102 flat angles C4'-P-C4' energy: -125.875 flat angles P-C4'-P energy: -84.945 tors. eta vs tors. theta energy: -95.864 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: 9, replica: 1 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -1114.480706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.480706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.480706 (E_RNA) where: Base-Base interactions energy: -614.933 where: short stacking energy: -331.037 Base-Backbone interact. energy: 2.356 local terms energy: -501.904117 where: bonds (distance) C4'-P energy: -128.893 bonds (distance) P-C4' energy: -146.725 flat angles C4'-P-C4' energy: -118.425 flat angles P-C4'-P energy: -82.308 tors. eta vs tors. theta energy: -25.553 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: 3 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -834.589550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.589550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.589550 (E_RNA) where: Base-Base interactions energy: -402.801 where: short stacking energy: -227.955 Base-Backbone interact. energy: 2.737 local terms energy: -434.525490 where: bonds (distance) C4'-P energy: -132.242 bonds (distance) P-C4' energy: -126.996 flat angles C4'-P-C4' energy: -124.926 flat angles P-C4'-P energy: -54.718 tors. eta vs tors. theta energy: 4.356 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: 1, replica: 6 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -2898.970101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.970101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.970101 (E_RNA) where: Base-Base interactions energy: -2032.365 where: short stacking energy: -866.700 Base-Backbone interact. energy: -1.928 local terms energy: -864.677961 where: bonds (distance) C4'-P energy: -154.757 bonds (distance) P-C4' energy: -152.793 flat angles C4'-P-C4' energy: -188.185 flat angles P-C4'-P energy: -127.226 tors. eta vs tors. theta energy: -241.717 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: 2, replica: 7 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -2763.571899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.571899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.571899 (E_RNA) where: Base-Base interactions energy: -1901.145 where: short stacking energy: -836.365 Base-Backbone interact. energy: -2.251 local terms energy: -860.175682 where: bonds (distance) C4'-P energy: -160.767 bonds (distance) P-C4' energy: -164.595 flat angles C4'-P-C4' energy: -185.652 flat angles P-C4'-P energy: -110.464 tors. eta vs tors. theta energy: -238.697 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: 3, replica: 10 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -2694.681035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.681035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.681035 (E_RNA) where: Base-Base interactions energy: -1874.557 where: short stacking energy: -830.513 Base-Backbone interact. energy: -2.379 local terms energy: -817.745071 where: bonds (distance) C4'-P energy: -137.851 bonds (distance) P-C4' energy: -144.319 flat angles C4'-P-C4' energy: -181.864 flat angles P-C4'-P energy: -117.382 tors. eta vs tors. theta energy: -236.330 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: 8 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -2611.619960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.619960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.619960 (E_RNA) where: Base-Base interactions energy: -1798.201 where: short stacking energy: -799.687 Base-Backbone interact. energy: -1.133 local terms energy: -812.286160 where: bonds (distance) C4'-P energy: -144.039 bonds (distance) P-C4' energy: -143.645 flat angles C4'-P-C4' energy: -172.984 flat angles P-C4'-P energy: -121.177 tors. eta vs tors. theta energy: -230.440 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: 231 Temperature: 1.100000 Total energy: -2427.413812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.413812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.413812 (E_RNA) where: Base-Base interactions energy: -1695.420 where: short stacking energy: -743.563 Base-Backbone interact. energy: 7.567 local terms energy: -739.561357 where: bonds (distance) C4'-P energy: -126.490 bonds (distance) P-C4' energy: -150.145 flat angles C4'-P-C4' energy: -161.291 flat angles P-C4'-P energy: -100.538 tors. eta vs tors. theta energy: -201.098 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: 5 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -2194.926371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.926371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.926371 (E_RNA) where: Base-Base interactions energy: -1538.982 where: short stacking energy: -663.300 Base-Backbone interact. energy: -3.061 local terms energy: -652.882680 where: bonds (distance) C4'-P energy: -115.018 bonds (distance) P-C4' energy: -144.113 flat angles C4'-P-C4' energy: -136.737 flat angles P-C4'-P energy: -86.284 tors. eta vs tors. theta energy: -170.731 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: 7, replica: 9 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1878.185607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.185607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.185607 (E_RNA) where: Base-Base interactions energy: -1221.956 where: short stacking energy: -529.636 Base-Backbone interact. energy: -4.179 local terms energy: -652.049982 where: bonds (distance) C4'-P energy: -130.221 bonds (distance) P-C4' energy: -150.309 flat angles C4'-P-C4' energy: -145.818 flat angles P-C4'-P energy: -102.822 tors. eta vs tors. theta energy: -122.880 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: 2 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1590.996190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.996190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.996190 (E_RNA) where: Base-Base interactions energy: -987.353 where: short stacking energy: -444.669 Base-Backbone interact. energy: 1.081 local terms energy: -604.724942 where: bonds (distance) C4'-P energy: -139.840 bonds (distance) P-C4' energy: -148.000 flat angles C4'-P-C4' energy: -138.342 flat angles P-C4'-P energy: -90.945 tors. eta vs tors. theta energy: -87.598 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: 9, replica: 1 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -1108.229637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.229637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.229637 (E_RNA) where: Base-Base interactions energy: -609.621 where: short stacking energy: -347.362 Base-Backbone interact. energy: 0.118 local terms energy: -498.726698 where: bonds (distance) C4'-P energy: -94.990 bonds (distance) P-C4' energy: -157.378 flat angles C4'-P-C4' energy: -104.792 flat angles P-C4'-P energy: -97.789 tors. eta vs tors. theta energy: -43.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -753.875445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.875445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.875445 (E_RNA) where: Base-Base interactions energy: -336.666 where: short stacking energy: -222.493 Base-Backbone interact. energy: -0.559 local terms energy: -416.650871 where: bonds (distance) C4'-P energy: -92.987 bonds (distance) P-C4' energy: -143.405 flat angles C4'-P-C4' energy: -122.321 flat angles P-C4'-P energy: -70.659 tors. eta vs tors. theta energy: 12.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -2870.918586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.918586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.918586 (E_RNA) where: Base-Base interactions energy: -1998.501 where: short stacking energy: -832.994 Base-Backbone interact. energy: -4.321 local terms energy: -868.096447 where: bonds (distance) C4'-P energy: -156.906 bonds (distance) P-C4' energy: -176.739 flat angles C4'-P-C4' energy: -189.989 flat angles P-C4'-P energy: -109.655 tors. eta vs tors. theta energy: -234.807 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: 2, replica: 7 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -2779.573520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.573520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.573520 (E_RNA) where: Base-Base interactions energy: -1929.932 where: short stacking energy: -844.653 Base-Backbone interact. energy: -4.387 local terms energy: -845.254011 where: bonds (distance) C4'-P energy: -151.216 bonds (distance) P-C4' energy: -169.206 flat angles C4'-P-C4' energy: -165.926 flat angles P-C4'-P energy: -115.343 tors. eta vs tors. theta energy: -243.563 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: 10 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -2645.766536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.766536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.766536 (E_RNA) where: Base-Base interactions energy: -1852.773 where: short stacking energy: -784.065 Base-Backbone interact. energy: -1.544 local terms energy: -791.448911 where: bonds (distance) C4'-P energy: -151.168 bonds (distance) P-C4' energy: -151.989 flat angles C4'-P-C4' energy: -159.290 flat angles P-C4'-P energy: -119.182 tors. eta vs tors. theta energy: -209.820 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: 8 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -2599.519272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.519272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.519272 (E_RNA) where: Base-Base interactions energy: -1795.351 where: short stacking energy: -774.561 Base-Backbone interact. energy: -4.393 local terms energy: -799.775458 where: bonds (distance) C4'-P energy: -138.018 bonds (distance) P-C4' energy: -149.340 flat angles C4'-P-C4' energy: -178.845 flat angles P-C4'-P energy: -111.747 tors. eta vs tors. theta energy: -221.825 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: 232 Temperature: 1.100000 Total energy: -2391.636766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.636766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.636766 (E_RNA) where: Base-Base interactions energy: -1651.216 where: short stacking energy: -711.416 Base-Backbone interact. energy: -2.643 local terms energy: -737.777843 where: bonds (distance) C4'-P energy: -130.340 bonds (distance) P-C4' energy: -151.548 flat angles C4'-P-C4' energy: -174.304 flat angles P-C4'-P energy: -94.406 tors. eta vs tors. theta energy: -187.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -2117.322429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.322429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.322429 (E_RNA) where: Base-Base interactions energy: -1428.321 where: short stacking energy: -610.774 Base-Backbone interact. energy: 0.282 local terms energy: -689.282775 where: bonds (distance) C4'-P energy: -127.269 bonds (distance) P-C4' energy: -136.272 flat angles C4'-P-C4' energy: -155.002 flat angles P-C4'-P energy: -115.160 tors. eta vs tors. theta energy: -155.580 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: 232 Temperature: 1.200000 Total energy: -1905.280615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.280615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.280615 (E_RNA) where: Base-Base interactions energy: -1293.360 where: short stacking energy: -577.738 Base-Backbone interact. energy: 2.395 local terms energy: -614.315411 where: bonds (distance) C4'-P energy: -129.417 bonds (distance) P-C4' energy: -131.230 flat angles C4'-P-C4' energy: -152.012 flat angles P-C4'-P energy: -84.426 tors. eta vs tors. theta energy: -117.230 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: 2 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1550.635309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.635309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.635309 (E_RNA) where: Base-Base interactions energy: -957.140 where: short stacking energy: -447.018 Base-Backbone interact. energy: 4.094 local terms energy: -597.589406 where: bonds (distance) C4'-P energy: -153.164 bonds (distance) P-C4' energy: -141.880 flat angles C4'-P-C4' energy: -145.621 flat angles P-C4'-P energy: -87.719 tors. eta vs tors. theta energy: -69.205 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: 9, replica: 1 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -1116.802217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.802217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.802217 (E_RNA) where: Base-Base interactions energy: -608.398 where: short stacking energy: -311.841 Base-Backbone interact. energy: 0.224 local terms energy: -508.628740 where: bonds (distance) C4'-P energy: -133.000 bonds (distance) P-C4' energy: -137.109 flat angles C4'-P-C4' energy: -117.821 flat angles P-C4'-P energy: -81.352 tors. eta vs tors. theta energy: -39.347 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: 10, replica: 3 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -749.896239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.896239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.896239 (E_RNA) where: Base-Base interactions energy: -356.207 where: short stacking energy: -231.621 Base-Backbone interact. energy: 9.245 local terms energy: -402.934795 where: bonds (distance) C4'-P energy: -118.760 bonds (distance) P-C4' energy: -131.925 flat angles C4'-P-C4' energy: -109.219 flat angles P-C4'-P energy: -57.998 tors. eta vs tors. theta energy: 14.968 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: 6 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -2885.711095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.711095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.711095 (E_RNA) where: Base-Base interactions energy: -2000.200 where: short stacking energy: -862.026 Base-Backbone interact. energy: -1.801 local terms energy: -883.710186 where: bonds (distance) C4'-P energy: -156.733 bonds (distance) P-C4' energy: -158.671 flat angles C4'-P-C4' energy: -187.931 flat angles P-C4'-P energy: -133.128 tors. eta vs tors. theta energy: -247.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -2765.764003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.764003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.764003 (E_RNA) where: Base-Base interactions energy: -1901.704 where: short stacking energy: -837.770 Base-Backbone interact. energy: 2.130 local terms energy: -866.190577 where: bonds (distance) C4'-P energy: -144.067 bonds (distance) P-C4' energy: -167.532 flat angles C4'-P-C4' energy: -190.688 flat angles P-C4'-P energy: -128.751 tors. eta vs tors. theta energy: -235.153 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: 3, replica: 10 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2665.282066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.282066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.282066 (E_RNA) where: Base-Base interactions energy: -1863.048 where: short stacking energy: -778.720 Base-Backbone interact. energy: -1.064 local terms energy: -801.169411 where: bonds (distance) C4'-P energy: -154.816 bonds (distance) P-C4' energy: -156.713 flat angles C4'-P-C4' energy: -167.525 flat angles P-C4'-P energy: -112.254 tors. eta vs tors. theta energy: -209.860 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: 8 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -2605.950542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.950542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.950542 (E_RNA) where: Base-Base interactions energy: -1801.688 where: short stacking energy: -765.878 Base-Backbone interact. energy: -2.878 local terms energy: -801.385017 where: bonds (distance) C4'-P energy: -158.098 bonds (distance) P-C4' energy: -153.958 flat angles C4'-P-C4' energy: -162.481 flat angles P-C4'-P energy: -104.700 tors. eta vs tors. theta energy: -222.148 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: 5, replica: 4 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -2421.385790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.385790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.385790 (E_RNA) where: Base-Base interactions energy: -1665.642 where: short stacking energy: -696.558 Base-Backbone interact. energy: -4.057 local terms energy: -751.686522 where: bonds (distance) C4'-P energy: -126.573 bonds (distance) P-C4' energy: -167.566 flat angles C4'-P-C4' energy: -173.230 flat angles P-C4'-P energy: -105.395 tors. eta vs tors. theta energy: -178.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -2184.401375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.401375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.401375 (E_RNA) where: Base-Base interactions energy: -1481.962 where: short stacking energy: -642.896 Base-Backbone interact. energy: -4.590 local terms energy: -697.848891 where: bonds (distance) C4'-P energy: -144.524 bonds (distance) P-C4' energy: -134.662 flat angles C4'-P-C4' energy: -142.765 flat angles P-C4'-P energy: -110.406 tors. eta vs tors. theta energy: -165.492 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: 9 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1938.043735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.043735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.043735 (E_RNA) where: Base-Base interactions energy: -1317.344 where: short stacking energy: -588.397 Base-Backbone interact. energy: 11.040 local terms energy: -631.740406 where: bonds (distance) C4'-P energy: -118.810 bonds (distance) P-C4' energy: -131.325 flat angles C4'-P-C4' energy: -149.911 flat angles P-C4'-P energy: -104.952 tors. eta vs tors. theta energy: -126.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1550.483280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.483280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.483280 (E_RNA) where: Base-Base interactions energy: -998.915 where: short stacking energy: -469.538 Base-Backbone interact. energy: 1.583 local terms energy: -553.151372 where: bonds (distance) C4'-P energy: -133.895 bonds (distance) P-C4' energy: -127.584 flat angles C4'-P-C4' energy: -124.545 flat angles P-C4'-P energy: -83.148 tors. eta vs tors. theta energy: -83.979 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: 1 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -1112.066399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.066399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.066399 (E_RNA) where: Base-Base interactions energy: -635.170 where: short stacking energy: -361.921 Base-Backbone interact. energy: 4.393 local terms energy: -481.289571 where: bonds (distance) C4'-P energy: -114.169 bonds (distance) P-C4' energy: -130.411 flat angles C4'-P-C4' energy: -130.693 flat angles P-C4'-P energy: -63.544 tors. eta vs tors. theta energy: -42.472 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: 10, replica: 3 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -726.295655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.295655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.295655 (E_RNA) where: Base-Base interactions energy: -302.754 where: short stacking energy: -232.374 Base-Backbone interact. energy: -0.648 local terms energy: -422.893889 where: bonds (distance) C4'-P energy: -112.246 bonds (distance) P-C4' energy: -152.438 flat angles C4'-P-C4' energy: -86.469 flat angles P-C4'-P energy: -63.043 tors. eta vs tors. theta energy: -8.698 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: 7 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -2847.617220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.617220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.617220 (E_RNA) where: Base-Base interactions energy: -1966.243 where: short stacking energy: -865.077 Base-Backbone interact. energy: -1.016 local terms energy: -880.358088 where: bonds (distance) C4'-P energy: -158.630 bonds (distance) P-C4' energy: -158.861 flat angles C4'-P-C4' energy: -188.028 flat angles P-C4'-P energy: -127.161 tors. eta vs tors. theta energy: -247.677 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: 6 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -2801.482386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.482386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.482386 (E_RNA) where: Base-Base interactions energy: -1965.232 where: short stacking energy: -838.932 Base-Backbone interact. energy: -4.786 local terms energy: -831.464722 where: bonds (distance) C4'-P energy: -144.777 bonds (distance) P-C4' energy: -153.578 flat angles C4'-P-C4' energy: -166.277 flat angles P-C4'-P energy: -119.451 tors. eta vs tors. theta energy: -247.382 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: 8 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -2670.580499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.580499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.580499 (E_RNA) where: Base-Base interactions energy: -1826.033 where: short stacking energy: -779.766 Base-Backbone interact. energy: -2.665 local terms energy: -841.883209 where: bonds (distance) C4'-P energy: -166.977 bonds (distance) P-C4' energy: -153.247 flat angles C4'-P-C4' energy: -171.541 flat angles P-C4'-P energy: -121.746 tors. eta vs tors. theta energy: -228.372 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: 10 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -2595.353158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.353158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.353158 (E_RNA) where: Base-Base interactions energy: -1801.612 where: short stacking energy: -786.268 Base-Backbone interact. energy: -3.928 local terms energy: -789.812957 where: bonds (distance) C4'-P energy: -149.465 bonds (distance) P-C4' energy: -153.725 flat angles C4'-P-C4' energy: -153.729 flat angles P-C4'-P energy: -126.308 tors. eta vs tors. theta energy: -206.585 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: 5, replica: 4 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -2469.830876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.830876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.830876 (E_RNA) where: Base-Base interactions energy: -1738.828 where: short stacking energy: -721.376 Base-Backbone interact. energy: -4.359 local terms energy: -726.643668 where: bonds (distance) C4'-P energy: -142.974 bonds (distance) P-C4' energy: -139.266 flat angles C4'-P-C4' energy: -160.211 flat angles P-C4'-P energy: -105.585 tors. eta vs tors. theta energy: -178.608 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: 6, replica: 5 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -2125.273069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.273069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.273069 (E_RNA) where: Base-Base interactions energy: -1433.603 where: short stacking energy: -612.953 Base-Backbone interact. energy: -2.619 local terms energy: -689.050701 where: bonds (distance) C4'-P energy: -136.176 bonds (distance) P-C4' energy: -149.369 flat angles C4'-P-C4' energy: -151.676 flat angles P-C4'-P energy: -100.451 tors. eta vs tors. theta energy: -151.379 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: 9 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -2031.224176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.224176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.224176 (E_RNA) where: Base-Base interactions energy: -1368.548 where: short stacking energy: -605.093 Base-Backbone interact. energy: -1.432 local terms energy: -661.244252 where: bonds (distance) C4'-P energy: -116.809 bonds (distance) P-C4' energy: -145.622 flat angles C4'-P-C4' energy: -138.740 flat angles P-C4'-P energy: -101.754 tors. eta vs tors. theta energy: -158.320 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: 2 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1533.618873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.618873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.618873 (E_RNA) where: Base-Base interactions energy: -944.945 where: short stacking energy: -459.745 Base-Backbone interact. energy: -2.246 local terms energy: -586.428046 where: bonds (distance) C4'-P energy: -129.001 bonds (distance) P-C4' energy: -145.327 flat angles C4'-P-C4' energy: -120.989 flat angles P-C4'-P energy: -90.475 tors. eta vs tors. theta energy: -100.636 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: 9, replica: 1 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -1158.772623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.772623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.772623 (E_RNA) where: Base-Base interactions energy: -671.539 where: short stacking energy: -347.964 Base-Backbone interact. energy: -3.595 local terms energy: -483.638212 where: bonds (distance) C4'-P energy: -118.314 bonds (distance) P-C4' energy: -134.065 flat angles C4'-P-C4' energy: -116.959 flat angles P-C4'-P energy: -70.904 tors. eta vs tors. theta energy: -43.396 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: 10, replica: 3 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -736.701152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.701152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.701152 (E_RNA) where: Base-Base interactions energy: -332.966 where: short stacking energy: -231.730 Base-Backbone interact. energy: 6.031 local terms energy: -409.766425 where: bonds (distance) C4'-P energy: -131.416 bonds (distance) P-C4' energy: -148.568 flat angles C4'-P-C4' energy: -106.969 flat angles P-C4'-P energy: -56.664 tors. eta vs tors. theta energy: 33.851 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: 7 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -2830.199999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.199999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.199999 (E_RNA) where: Base-Base interactions energy: -1950.202 where: short stacking energy: -845.295 Base-Backbone interact. energy: -1.439 local terms energy: -878.559054 where: bonds (distance) C4'-P energy: -163.461 bonds (distance) P-C4' energy: -167.029 flat angles C4'-P-C4' energy: -183.346 flat angles P-C4'-P energy: -121.315 tors. eta vs tors. theta energy: -243.407 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: 6 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -2795.936475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.936475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.936475 (E_RNA) where: Base-Base interactions energy: -1957.783 where: short stacking energy: -818.052 Base-Backbone interact. energy: -1.716 local terms energy: -836.436907 where: bonds (distance) C4'-P energy: -155.767 bonds (distance) P-C4' energy: -138.134 flat angles C4'-P-C4' energy: -189.467 flat angles P-C4'-P energy: -113.045 tors. eta vs tors. theta energy: -240.023 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: 235 Temperature: 1.000000 Total energy: -2615.842258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.842258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.842258 (E_RNA) where: Base-Base interactions energy: -1793.500 where: short stacking energy: -797.785 Base-Backbone interact. energy: -1.933 local terms energy: -820.409056 where: bonds (distance) C4'-P energy: -148.891 bonds (distance) P-C4' energy: -157.815 flat angles C4'-P-C4' energy: -177.072 flat angles P-C4'-P energy: -107.364 tors. eta vs tors. theta energy: -229.267 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: 10 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -2562.616438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.616438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.616438 (E_RNA) where: Base-Base interactions energy: -1772.461 where: short stacking energy: -749.961 Base-Backbone interact. energy: -2.475 local terms energy: -787.680124 where: bonds (distance) C4'-P energy: -148.855 bonds (distance) P-C4' energy: -138.045 flat angles C4'-P-C4' energy: -185.600 flat angles P-C4'-P energy: -119.755 tors. eta vs tors. theta energy: -195.425 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: 4 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -2445.026115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.026115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.026115 (E_RNA) where: Base-Base interactions energy: -1666.653 where: short stacking energy: -720.515 Base-Backbone interact. energy: 0.632 local terms energy: -779.004876 where: bonds (distance) C4'-P energy: -137.761 bonds (distance) P-C4' energy: -152.034 flat angles C4'-P-C4' energy: -161.975 flat angles P-C4'-P energy: -122.508 tors. eta vs tors. theta energy: -204.726 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: 6, replica: 5 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -2144.226564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.226564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.226564 (E_RNA) where: Base-Base interactions energy: -1466.125 where: short stacking energy: -659.737 Base-Backbone interact. energy: -0.198 local terms energy: -677.904024 where: bonds (distance) C4'-P energy: -137.862 bonds (distance) P-C4' energy: -135.307 flat angles C4'-P-C4' energy: -140.987 flat angles P-C4'-P energy: -96.585 tors. eta vs tors. theta energy: -167.163 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: 7, replica: 9 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1965.886965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.886965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.886965 (E_RNA) where: Base-Base interactions energy: -1317.563 where: short stacking energy: -576.467 Base-Backbone interact. energy: 2.054 local terms energy: -650.377710 where: bonds (distance) C4'-P energy: -131.081 bonds (distance) P-C4' energy: -131.581 flat angles C4'-P-C4' energy: -154.916 flat angles P-C4'-P energy: -95.696 tors. eta vs tors. theta energy: -137.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1608.204466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.204466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.204466 (E_RNA) where: Base-Base interactions energy: -1022.217 where: short stacking energy: -469.680 Base-Backbone interact. energy: 1.256 local terms energy: -587.243580 where: bonds (distance) C4'-P energy: -116.715 bonds (distance) P-C4' energy: -145.096 flat angles C4'-P-C4' energy: -145.523 flat angles P-C4'-P energy: -86.596 tors. eta vs tors. theta energy: -93.313 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: 9, replica: 1 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -1207.429541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.429541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.429541 (E_RNA) where: Base-Base interactions energy: -714.449 where: short stacking energy: -347.354 Base-Backbone interact. energy: -1.702 local terms energy: -491.278946 where: bonds (distance) C4'-P energy: -114.075 bonds (distance) P-C4' energy: -120.412 flat angles C4'-P-C4' energy: -143.446 flat angles P-C4'-P energy: -75.218 tors. eta vs tors. theta energy: -38.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -826.186569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.186569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.186569 (E_RNA) where: Base-Base interactions energy: -409.547 where: short stacking energy: -248.197 Base-Backbone interact. energy: -4.579 local terms energy: -412.060603 where: bonds (distance) C4'-P energy: -130.273 bonds (distance) P-C4' energy: -132.314 flat angles C4'-P-C4' energy: -77.948 flat angles P-C4'-P energy: -64.224 tors. eta vs tors. theta energy: -7.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -2834.151923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.151923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.151923 (E_RNA) where: Base-Base interactions energy: -1958.296 where: short stacking energy: -852.216 Base-Backbone interact. energy: -1.835 local terms energy: -874.020148 where: bonds (distance) C4'-P energy: -166.704 bonds (distance) P-C4' energy: -166.609 flat angles C4'-P-C4' energy: -189.082 flat angles P-C4'-P energy: -103.497 tors. eta vs tors. theta energy: -248.129 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: 2, replica: 6 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -2813.135164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.135164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.135164 (E_RNA) where: Base-Base interactions energy: -1937.193 where: short stacking energy: -832.831 Base-Backbone interact. energy: -0.040 local terms energy: -875.902843 where: bonds (distance) C4'-P energy: -162.341 bonds (distance) P-C4' energy: -166.946 flat angles C4'-P-C4' energy: -187.712 flat angles P-C4'-P energy: -118.901 tors. eta vs tors. theta energy: -240.003 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: 8 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -2662.674501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.674501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.674501 (E_RNA) where: Base-Base interactions energy: -1833.672 where: short stacking energy: -821.140 Base-Backbone interact. energy: -0.618 local terms energy: -828.384126 where: bonds (distance) C4'-P energy: -135.072 bonds (distance) P-C4' energy: -151.367 flat angles C4'-P-C4' energy: -186.735 flat angles P-C4'-P energy: -115.142 tors. eta vs tors. theta energy: -240.069 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: 10 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -2529.304491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.304491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.304491 (E_RNA) where: Base-Base interactions energy: -1751.226 where: short stacking energy: -738.674 Base-Backbone interact. energy: 0.884 local terms energy: -778.962407 where: bonds (distance) C4'-P energy: -153.793 bonds (distance) P-C4' energy: -154.919 flat angles C4'-P-C4' energy: -174.091 flat angles P-C4'-P energy: -111.719 tors. eta vs tors. theta energy: -184.440 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: 236 Temperature: 1.100000 Total energy: -2439.277195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.277195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.277195 (E_RNA) where: Base-Base interactions energy: -1656.737 where: short stacking energy: -715.430 Base-Backbone interact. energy: -3.904 local terms energy: -778.635752 where: bonds (distance) C4'-P energy: -139.434 bonds (distance) P-C4' energy: -133.696 flat angles C4'-P-C4' energy: -186.510 flat angles P-C4'-P energy: -108.073 tors. eta vs tors. theta energy: -210.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -2174.934488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.934488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.934488 (E_RNA) where: Base-Base interactions energy: -1472.013 where: short stacking energy: -625.909 Base-Backbone interact. energy: -1.546 local terms energy: -701.375449 where: bonds (distance) C4'-P energy: -136.059 bonds (distance) P-C4' energy: -151.904 flat angles C4'-P-C4' energy: -157.664 flat angles P-C4'-P energy: -100.106 tors. eta vs tors. theta energy: -155.642 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: 236 Temperature: 1.200000 Total energy: -1914.732565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.732565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.732565 (E_RNA) where: Base-Base interactions energy: -1283.503 where: short stacking energy: -596.816 Base-Backbone interact. energy: 2.389 local terms energy: -633.618664 where: bonds (distance) C4'-P energy: -109.699 bonds (distance) P-C4' energy: -143.581 flat angles C4'-P-C4' energy: -153.366 flat angles P-C4'-P energy: -92.933 tors. eta vs tors. theta energy: -134.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1622.656706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.656706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.656706 (E_RNA) where: Base-Base interactions energy: -1088.875 where: short stacking energy: -495.126 Base-Backbone interact. energy: 0.154 local terms energy: -533.934982 where: bonds (distance) C4'-P energy: -100.433 bonds (distance) P-C4' energy: -140.060 flat angles C4'-P-C4' energy: -113.495 flat angles P-C4'-P energy: -88.835 tors. eta vs tors. theta energy: -91.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -1163.979720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.979720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.979720 (E_RNA) where: Base-Base interactions energy: -685.413 where: short stacking energy: -337.237 Base-Backbone interact. energy: 0.557 local terms energy: -479.124571 where: bonds (distance) C4'-P energy: -119.350 bonds (distance) P-C4' energy: -133.733 flat angles C4'-P-C4' energy: -125.970 flat angles P-C4'-P energy: -73.451 tors. eta vs tors. theta energy: -26.621 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: 3 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -861.458556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.458556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.458556 (E_RNA) where: Base-Base interactions energy: -396.871 where: short stacking energy: -257.899 Base-Backbone interact. energy: 2.297 local terms energy: -466.884457 where: bonds (distance) C4'-P energy: -141.197 bonds (distance) P-C4' energy: -137.528 flat angles C4'-P-C4' energy: -99.854 flat angles P-C4'-P energy: -73.377 tors. eta vs tors. theta energy: -14.928 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: 7 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -2841.180014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.180014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.180014 (E_RNA) where: Base-Base interactions energy: -1965.204 where: short stacking energy: -856.414 Base-Backbone interact. energy: -1.882 local terms energy: -874.094479 where: bonds (distance) C4'-P energy: -160.654 bonds (distance) P-C4' energy: -152.407 flat angles C4'-P-C4' energy: -192.870 flat angles P-C4'-P energy: -130.768 tors. eta vs tors. theta energy: -237.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2810.165031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.165031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.165031 (E_RNA) where: Base-Base interactions energy: -1979.270 where: short stacking energy: -860.055 Base-Backbone interact. energy: -4.110 local terms energy: -826.785547 where: bonds (distance) C4'-P energy: -150.339 bonds (distance) P-C4' energy: -142.102 flat angles C4'-P-C4' energy: -187.384 flat angles P-C4'-P energy: -105.711 tors. eta vs tors. theta energy: -241.249 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: 3, replica: 8 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2708.390548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.390548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.390548 (E_RNA) where: Base-Base interactions energy: -1856.944 where: short stacking energy: -813.006 Base-Backbone interact. energy: -3.334 local terms energy: -848.113166 where: bonds (distance) C4'-P energy: -139.256 bonds (distance) P-C4' energy: -157.891 flat angles C4'-P-C4' energy: -183.443 flat angles P-C4'-P energy: -125.130 tors. eta vs tors. theta energy: -242.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -2557.641029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.641029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.641029 (E_RNA) where: Base-Base interactions energy: -1767.886 where: short stacking energy: -767.476 Base-Backbone interact. energy: -1.229 local terms energy: -788.525633 where: bonds (distance) C4'-P energy: -140.296 bonds (distance) P-C4' energy: -150.400 flat angles C4'-P-C4' energy: -174.824 flat angles P-C4'-P energy: -116.477 tors. eta vs tors. theta energy: -206.528 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: 5, replica: 4 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -2414.580347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.580347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.580347 (E_RNA) where: Base-Base interactions energy: -1665.462 where: short stacking energy: -696.324 Base-Backbone interact. energy: -1.900 local terms energy: -747.219227 where: bonds (distance) C4'-P energy: -133.975 bonds (distance) P-C4' energy: -146.446 flat angles C4'-P-C4' energy: -167.876 flat angles P-C4'-P energy: -115.006 tors. eta vs tors. theta energy: -183.917 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: 237 Temperature: 1.150000 Total energy: -2219.976964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.976964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.976964 (E_RNA) where: Base-Base interactions energy: -1512.422 where: short stacking energy: -665.000 Base-Backbone interact. energy: 0.351 local terms energy: -707.905819 where: bonds (distance) C4'-P energy: -138.913 bonds (distance) P-C4' energy: -125.227 flat angles C4'-P-C4' energy: -171.629 flat angles P-C4'-P energy: -103.142 tors. eta vs tors. theta energy: -168.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1919.739844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.739844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.739844 (E_RNA) where: Base-Base interactions energy: -1322.377 where: short stacking energy: -598.379 Base-Backbone interact. energy: 3.501 local terms energy: -600.863344 where: bonds (distance) C4'-P energy: -106.586 bonds (distance) P-C4' energy: -119.457 flat angles C4'-P-C4' energy: -154.091 flat angles P-C4'-P energy: -96.862 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: 8, replica: 2 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1649.974438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.974438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.974438 (E_RNA) where: Base-Base interactions energy: -1062.331 where: short stacking energy: -483.635 Base-Backbone interact. energy: -0.548 local terms energy: -587.095760 where: bonds (distance) C4'-P energy: -117.280 bonds (distance) P-C4' energy: -140.450 flat angles C4'-P-C4' energy: -125.467 flat angles P-C4'-P energy: -95.739 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: 9, replica: 1 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -1208.840975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.840975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.840975 (E_RNA) where: Base-Base interactions energy: -706.644 where: short stacking energy: -375.811 Base-Backbone interact. energy: 1.300 local terms energy: -503.496595 where: bonds (distance) C4'-P energy: -125.653 bonds (distance) P-C4' energy: -131.476 flat angles C4'-P-C4' energy: -116.512 flat angles P-C4'-P energy: -79.411 tors. eta vs tors. theta energy: -50.444 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: 3 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -791.052827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.052827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.052827 (E_RNA) where: Base-Base interactions energy: -369.747 where: short stacking energy: -206.084 Base-Backbone interact. energy: 0.833 local terms energy: -422.138737 where: bonds (distance) C4'-P energy: -108.978 bonds (distance) P-C4' energy: -123.726 flat angles C4'-P-C4' energy: -102.143 flat angles P-C4'-P energy: -71.008 tors. eta vs tors. theta energy: -16.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -2842.208001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.208001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.208001 (E_RNA) where: Base-Base interactions energy: -1944.887 where: short stacking energy: -858.534 Base-Backbone interact. energy: 1.857 local terms energy: -899.178393 where: bonds (distance) C4'-P energy: -176.563 bonds (distance) P-C4' energy: -157.895 flat angles C4'-P-C4' energy: -193.159 flat angles P-C4'-P energy: -124.741 tors. eta vs tors. theta energy: -246.821 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: 2, replica: 7 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2785.137393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.137393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.137393 (E_RNA) where: Base-Base interactions energy: -1931.023 where: short stacking energy: -850.371 Base-Backbone interact. energy: -2.752 local terms energy: -851.362313 where: bonds (distance) C4'-P energy: -149.697 bonds (distance) P-C4' energy: -161.120 flat angles C4'-P-C4' energy: -189.442 flat angles P-C4'-P energy: -107.192 tors. eta vs tors. theta energy: -243.912 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: 3, replica: 8 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2685.371989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.371989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.371989 (E_RNA) where: Base-Base interactions energy: -1851.176 where: short stacking energy: -830.228 Base-Backbone interact. energy: 0.656 local terms energy: -834.851519 where: bonds (distance) C4'-P energy: -143.628 bonds (distance) P-C4' energy: -160.978 flat angles C4'-P-C4' energy: -169.928 flat angles P-C4'-P energy: -118.278 tors. eta vs tors. theta energy: -242.040 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: 10 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -2598.515422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.515422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.515422 (E_RNA) where: Base-Base interactions energy: -1826.343 where: short stacking energy: -757.881 Base-Backbone interact. energy: -2.968 local terms energy: -769.204773 where: bonds (distance) C4'-P energy: -131.959 bonds (distance) P-C4' energy: -163.413 flat angles C4'-P-C4' energy: -165.222 flat angles P-C4'-P energy: -110.558 tors. eta vs tors. theta energy: -198.054 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: 5, replica: 4 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -2414.230572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.230572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.230572 (E_RNA) where: Base-Base interactions energy: -1642.801 where: short stacking energy: -709.282 Base-Backbone interact. energy: 2.350 local terms energy: -773.779352 where: bonds (distance) C4'-P energy: -126.955 bonds (distance) P-C4' energy: -141.856 flat angles C4'-P-C4' energy: -174.917 flat angles P-C4'-P energy: -128.138 tors. eta vs tors. theta energy: -201.913 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: 238 Temperature: 1.150000 Total energy: -2225.969367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.969367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.969367 (E_RNA) where: Base-Base interactions energy: -1529.468 where: short stacking energy: -649.188 Base-Backbone interact. energy: -3.168 local terms energy: -693.332798 where: bonds (distance) C4'-P energy: -131.892 bonds (distance) P-C4' energy: -150.736 flat angles C4'-P-C4' energy: -157.810 flat angles P-C4'-P energy: -87.329 tors. eta vs tors. theta energy: -165.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1931.327403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.327403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.327403 (E_RNA) where: Base-Base interactions energy: -1284.589 where: short stacking energy: -555.392 Base-Backbone interact. energy: -2.321 local terms energy: -644.417224 where: bonds (distance) C4'-P energy: -145.706 bonds (distance) P-C4' energy: -136.630 flat angles C4'-P-C4' energy: -140.250 flat angles P-C4'-P energy: -91.791 tors. eta vs tors. theta energy: -130.041 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: 8, replica: 2 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1650.702143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.702143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.702143 (E_RNA) where: Base-Base interactions energy: -1076.385 where: short stacking energy: -486.168 Base-Backbone interact. energy: -1.076 local terms energy: -573.240842 where: bonds (distance) C4'-P energy: -125.728 bonds (distance) P-C4' energy: -139.073 flat angles C4'-P-C4' energy: -129.163 flat angles P-C4'-P energy: -87.810 tors. eta vs tors. theta energy: -91.466 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: 1 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -1134.125881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.125881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.125881 (E_RNA) where: Base-Base interactions energy: -637.286 where: short stacking energy: -321.479 Base-Backbone interact. energy: -2.686 local terms energy: -494.154068 where: bonds (distance) C4'-P energy: -100.604 bonds (distance) P-C4' energy: -149.668 flat angles C4'-P-C4' energy: -125.658 flat angles P-C4'-P energy: -89.456 tors. eta vs tors. theta energy: -28.768 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: 3 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -846.015360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.015360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.015360 (E_RNA) where: Base-Base interactions energy: -425.124 where: short stacking energy: -272.095 Base-Backbone interact. energy: 5.520 local terms energy: -426.411260 where: bonds (distance) C4'-P energy: -109.335 bonds (distance) P-C4' energy: -110.593 flat angles C4'-P-C4' energy: -131.250 flat angles P-C4'-P energy: -59.941 tors. eta vs tors. theta energy: -15.292 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: 1, replica: 6 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -2855.455948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.455948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.455948 (E_RNA) where: Base-Base interactions energy: -1989.474 where: short stacking energy: -864.519 Base-Backbone interact. energy: -2.426 local terms energy: -863.555736 where: bonds (distance) C4'-P energy: -155.964 bonds (distance) P-C4' energy: -144.264 flat angles C4'-P-C4' energy: -193.680 flat angles P-C4'-P energy: -123.601 tors. eta vs tors. theta energy: -246.046 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: 2, replica: 7 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -2778.921775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.921775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.921775 (E_RNA) where: Base-Base interactions energy: -1933.506 where: short stacking energy: -831.176 Base-Backbone interact. energy: -4.237 local terms energy: -841.179464 where: bonds (distance) C4'-P energy: -143.453 bonds (distance) P-C4' energy: -151.857 flat angles C4'-P-C4' energy: -180.445 flat angles P-C4'-P energy: -128.368 tors. eta vs tors. theta energy: -237.057 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: 3, replica: 8 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2688.592457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.592457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.592457 (E_RNA) where: Base-Base interactions energy: -1810.891 where: short stacking energy: -789.716 Base-Backbone interact. energy: -0.695 local terms energy: -877.007174 where: bonds (distance) C4'-P energy: -176.020 bonds (distance) P-C4' energy: -167.006 flat angles C4'-P-C4' energy: -177.276 flat angles P-C4'-P energy: -118.626 tors. eta vs tors. theta energy: -238.078 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: 10 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -2632.600696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.600696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.600696 (E_RNA) where: Base-Base interactions energy: -1863.775 where: short stacking energy: -791.056 Base-Backbone interact. energy: -0.145 local terms energy: -768.680837 where: bonds (distance) C4'-P energy: -140.339 bonds (distance) P-C4' energy: -143.979 flat angles C4'-P-C4' energy: -160.029 flat angles P-C4'-P energy: -119.520 tors. eta vs tors. theta energy: -204.814 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: 4 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -2458.943672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.943672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.943672 (E_RNA) where: Base-Base interactions energy: -1712.102 where: short stacking energy: -733.133 Base-Backbone interact. energy: 0.542 local terms energy: -747.384309 where: bonds (distance) C4'-P energy: -119.708 bonds (distance) P-C4' energy: -138.187 flat angles C4'-P-C4' energy: -169.940 flat angles P-C4'-P energy: -113.443 tors. eta vs tors. theta energy: -206.106 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: 239 Temperature: 1.150000 Total energy: -2288.984373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.984373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.984373 (E_RNA) where: Base-Base interactions energy: -1606.056 where: short stacking energy: -692.357 Base-Backbone interact. energy: 0.937 local terms energy: -683.866082 where: bonds (distance) C4'-P energy: -111.458 bonds (distance) P-C4' energy: -137.716 flat angles C4'-P-C4' energy: -158.431 flat angles P-C4'-P energy: -92.912 tors. eta vs tors. theta energy: -183.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1881.306649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.306649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.306649 (E_RNA) where: Base-Base interactions energy: -1275.599 where: short stacking energy: -582.405 Base-Backbone interact. energy: -1.546 local terms energy: -604.160809 where: bonds (distance) C4'-P energy: -107.663 bonds (distance) P-C4' energy: -128.722 flat angles C4'-P-C4' energy: -145.666 flat angles P-C4'-P energy: -94.303 tors. eta vs tors. theta energy: -127.806 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: 8, replica: 2 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1588.215817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.215817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.215817 (E_RNA) where: Base-Base interactions energy: -1028.762 where: short stacking energy: -487.045 Base-Backbone interact. energy: -2.775 local terms energy: -556.679313 where: bonds (distance) C4'-P energy: -138.473 bonds (distance) P-C4' energy: -115.588 flat angles C4'-P-C4' energy: -132.605 flat angles P-C4'-P energy: -74.631 tors. eta vs tors. theta energy: -95.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -1105.441966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.441966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.441966 (E_RNA) where: Base-Base interactions energy: -611.898 where: short stacking energy: -337.090 Base-Backbone interact. energy: -0.724 local terms energy: -492.820801 where: bonds (distance) C4'-P energy: -129.886 bonds (distance) P-C4' energy: -142.006 flat angles C4'-P-C4' energy: -104.433 flat angles P-C4'-P energy: -74.240 tors. eta vs tors. theta energy: -42.256 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: 3 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -848.601693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.601693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.601693 (E_RNA) where: Base-Base interactions energy: -427.983 where: short stacking energy: -268.896 Base-Backbone interact. energy: 0.295 local terms energy: -420.913223 where: bonds (distance) C4'-P energy: -129.791 bonds (distance) P-C4' energy: -125.086 flat angles C4'-P-C4' energy: -108.012 flat angles P-C4'-P energy: -63.689 tors. eta vs tors. theta energy: 5.665 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: 1, replica: 6 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -2925.210960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.210960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.210960 (E_RNA) where: Base-Base interactions energy: -2031.554 where: short stacking energy: -872.432 Base-Backbone interact. energy: -1.671 local terms energy: -891.986362 where: bonds (distance) C4'-P energy: -159.066 bonds (distance) P-C4' energy: -170.913 flat angles C4'-P-C4' energy: -184.485 flat angles P-C4'-P energy: -132.231 tors. eta vs tors. theta energy: -245.291 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: 7 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -2799.822043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.822043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.822043 (E_RNA) where: Base-Base interactions energy: -1942.248 where: short stacking energy: -850.719 Base-Backbone interact. energy: -1.142 local terms energy: -856.432434 where: bonds (distance) C4'-P energy: -148.797 bonds (distance) P-C4' energy: -167.331 flat angles C4'-P-C4' energy: -177.008 flat angles P-C4'-P energy: -119.018 tors. eta vs tors. theta energy: -244.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2700.390122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.390122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.390122 (E_RNA) where: Base-Base interactions energy: -1838.908 where: short stacking energy: -804.170 Base-Backbone interact. energy: -4.036 local terms energy: -857.446086 where: bonds (distance) C4'-P energy: -156.653 bonds (distance) P-C4' energy: -175.685 flat angles C4'-P-C4' energy: -186.469 flat angles P-C4'-P energy: -106.227 tors. eta vs tors. theta energy: -232.412 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: 4, replica: 10 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -2620.514625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.514625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.514625 (E_RNA) where: Base-Base interactions energy: -1804.854 where: short stacking energy: -779.269 Base-Backbone interact. energy: -0.048 local terms energy: -815.611941 where: bonds (distance) C4'-P energy: -151.626 bonds (distance) P-C4' energy: -142.909 flat angles C4'-P-C4' energy: -180.178 flat angles P-C4'-P energy: -125.991 tors. eta vs tors. theta energy: -214.908 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: 4 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -2419.731560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.731560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.731560 (E_RNA) where: Base-Base interactions energy: -1678.269 where: short stacking energy: -744.686 Base-Backbone interact. energy: -2.260 local terms energy: -739.202417 where: bonds (distance) C4'-P energy: -110.564 bonds (distance) P-C4' energy: -161.214 flat angles C4'-P-C4' energy: -156.296 flat angles P-C4'-P energy: -104.415 tors. eta vs tors. theta energy: -206.714 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: 5 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -2287.533004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.533004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.533004 (E_RNA) where: Base-Base interactions energy: -1578.709 where: short stacking energy: -663.447 Base-Backbone interact. energy: -3.001 local terms energy: -705.823172 where: bonds (distance) C4'-P energy: -148.775 bonds (distance) P-C4' energy: -130.623 flat angles C4'-P-C4' energy: -169.580 flat angles P-C4'-P energy: -102.171 tors. eta vs tors. theta energy: -154.674 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: 9 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1893.031878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.031878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.031878 (E_RNA) where: Base-Base interactions energy: -1252.730 where: short stacking energy: -551.879 Base-Backbone interact. energy: 5.295 local terms energy: -645.596973 where: bonds (distance) C4'-P energy: -154.558 bonds (distance) P-C4' energy: -131.559 flat angles C4'-P-C4' energy: -152.665 flat angles P-C4'-P energy: -87.036 tors. eta vs tors. theta energy: -119.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1591.297467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.297467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.297467 (E_RNA) where: Base-Base interactions energy: -1000.789 where: short stacking energy: -452.805 Base-Backbone interact. energy: -0.119 local terms energy: -590.389151 where: bonds (distance) C4'-P energy: -140.267 bonds (distance) P-C4' energy: -154.285 flat angles C4'-P-C4' energy: -126.353 flat angles P-C4'-P energy: -89.438 tors. eta vs tors. theta energy: -80.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -1113.662170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.662170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.662170 (E_RNA) where: Base-Base interactions energy: -627.160 where: short stacking energy: -311.659 Base-Backbone interact. energy: -5.196 local terms energy: -481.306461 where: bonds (distance) C4'-P energy: -146.141 bonds (distance) P-C4' energy: -121.426 flat angles C4'-P-C4' energy: -117.462 flat angles P-C4'-P energy: -64.199 tors. eta vs tors. theta energy: -32.078 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: 3 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -827.736330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.736330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.736330 (E_RNA) where: Base-Base interactions energy: -400.319 where: short stacking energy: -237.964 Base-Backbone interact. energy: 0.070 local terms energy: -427.487234 where: bonds (distance) C4'-P energy: -114.244 bonds (distance) P-C4' energy: -137.579 flat angles C4'-P-C4' energy: -100.356 flat angles P-C4'-P energy: -67.016 tors. eta vs tors. theta energy: -8.292 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: 1, replica: 6 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -2917.606224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.606224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.606224 (E_RNA) where: Base-Base interactions energy: -2015.613 where: short stacking energy: -891.450 Base-Backbone interact. energy: -1.721 local terms energy: -900.271992 where: bonds (distance) C4'-P energy: -155.903 bonds (distance) P-C4' energy: -156.725 flat angles C4'-P-C4' energy: -191.265 flat angles P-C4'-P energy: -143.871 tors. eta vs tors. theta energy: -252.508 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: 2, replica: 7 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -2803.912521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.912521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.912521 (E_RNA) where: Base-Base interactions energy: -1927.086 where: short stacking energy: -861.503 Base-Backbone interact. energy: -4.022 local terms energy: -872.804098 where: bonds (distance) C4'-P energy: -155.825 bonds (distance) P-C4' energy: -157.812 flat angles C4'-P-C4' energy: -181.410 flat angles P-C4'-P energy: -133.926 tors. eta vs tors. theta energy: -243.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2684.409864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.409864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.409864 (E_RNA) where: Base-Base interactions energy: -1874.103 where: short stacking energy: -839.306 Base-Backbone interact. energy: -4.192 local terms energy: -806.114773 where: bonds (distance) C4'-P energy: -137.045 bonds (distance) P-C4' energy: -160.150 flat angles C4'-P-C4' energy: -166.208 flat angles P-C4'-P energy: -100.375 tors. eta vs tors. theta energy: -242.337 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: 4, replica: 10 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -2622.870078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.870078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.870078 (E_RNA) where: Base-Base interactions energy: -1833.127 where: short stacking energy: -788.389 Base-Backbone interact. energy: -4.893 local terms energy: -784.850217 where: bonds (distance) C4'-P energy: -140.460 bonds (distance) P-C4' energy: -147.591 flat angles C4'-P-C4' energy: -170.290 flat angles P-C4'-P energy: -111.979 tors. eta vs tors. theta energy: -214.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -2495.526019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.526019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.526019 (E_RNA) where: Base-Base interactions energy: -1723.288 where: short stacking energy: -773.291 Base-Backbone interact. energy: 0.265 local terms energy: -772.502867 where: bonds (distance) C4'-P energy: -145.861 bonds (distance) P-C4' energy: -151.802 flat angles C4'-P-C4' energy: -167.541 flat angles P-C4'-P energy: -100.647 tors. eta vs tors. theta energy: -206.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -2304.615749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.615749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.615749 (E_RNA) where: Base-Base interactions energy: -1605.700 where: short stacking energy: -693.662 Base-Backbone interact. energy: -4.543 local terms energy: -694.372493 where: bonds (distance) C4'-P energy: -134.146 bonds (distance) P-C4' energy: -129.012 flat angles C4'-P-C4' energy: -153.774 flat angles P-C4'-P energy: -99.950 tors. eta vs tors. theta energy: -177.491 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: 7, replica: 9 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1877.434013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.434013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.434013 (E_RNA) where: Base-Base interactions energy: -1217.744 where: short stacking energy: -557.094 Base-Backbone interact. energy: 1.385 local terms energy: -661.075276 where: bonds (distance) C4'-P energy: -152.812 bonds (distance) P-C4' energy: -139.759 flat angles C4'-P-C4' energy: -153.104 flat angles P-C4'-P energy: -98.399 tors. eta vs tors. theta energy: -117.002 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: 2 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1663.972027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.972027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.972027 (E_RNA) where: Base-Base interactions energy: -1050.011 where: short stacking energy: -468.220 Base-Backbone interact. energy: -1.166 local terms energy: -612.795013 where: bonds (distance) C4'-P energy: -133.746 bonds (distance) P-C4' energy: -139.256 flat angles C4'-P-C4' energy: -152.994 flat angles P-C4'-P energy: -102.519 tors. eta vs tors. theta energy: -84.280 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: 9, replica: 1 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -1115.862784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.862784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.862784 (E_RNA) where: Base-Base interactions energy: -611.277 where: short stacking energy: -349.417 Base-Backbone interact. energy: -0.415 local terms energy: -504.170875 where: bonds (distance) C4'-P energy: -128.640 bonds (distance) P-C4' energy: -143.307 flat angles C4'-P-C4' energy: -122.302 flat angles P-C4'-P energy: -57.405 tors. eta vs tors. theta energy: -52.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -845.991961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.991961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.991961 (E_RNA) where: Base-Base interactions energy: -422.054 where: short stacking energy: -222.989 Base-Backbone interact. energy: 0.328 local terms energy: -424.265441 where: bonds (distance) C4'-P energy: -112.608 bonds (distance) P-C4' energy: -139.543 flat angles C4'-P-C4' energy: -103.762 flat angles P-C4'-P energy: -63.795 tors. eta vs tors. theta energy: -4.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -2911.993338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.993338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.993338 (E_RNA) where: Base-Base interactions energy: -2009.813 where: short stacking energy: -857.944 Base-Backbone interact. energy: -5.643 local terms energy: -896.536838 where: bonds (distance) C4'-P energy: -151.107 bonds (distance) P-C4' energy: -167.543 flat angles C4'-P-C4' energy: -182.531 flat angles P-C4'-P energy: -138.341 tors. eta vs tors. theta energy: -257.015 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: 2, replica: 7 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -2784.986719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.986719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.986719 (E_RNA) where: Base-Base interactions energy: -1945.150 where: short stacking energy: -848.607 Base-Backbone interact. energy: 5.686 local terms energy: -845.522182 where: bonds (distance) C4'-P energy: -161.076 bonds (distance) P-C4' energy: -146.398 flat angles C4'-P-C4' energy: -173.714 flat angles P-C4'-P energy: -119.887 tors. eta vs tors. theta energy: -244.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2689.949507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.949507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.949507 (E_RNA) where: Base-Base interactions energy: -1874.527 where: short stacking energy: -774.986 Base-Backbone interact. energy: -5.555 local terms energy: -809.867365 where: bonds (distance) C4'-P energy: -149.576 bonds (distance) P-C4' energy: -152.237 flat angles C4'-P-C4' energy: -174.813 flat angles P-C4'-P energy: -100.771 tors. eta vs tors. theta energy: -232.472 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: 10 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -2633.488036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.488036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.488036 (E_RNA) where: Base-Base interactions energy: -1822.347 where: short stacking energy: -793.689 Base-Backbone interact. energy: -1.143 local terms energy: -809.997712 where: bonds (distance) C4'-P energy: -145.534 bonds (distance) P-C4' energy: -149.922 flat angles C4'-P-C4' energy: -189.816 flat angles P-C4'-P energy: -109.460 tors. eta vs tors. theta energy: -215.266 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: 4 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -2451.321793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.321793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.321793 (E_RNA) where: Base-Base interactions energy: -1675.864 where: short stacking energy: -737.071 Base-Backbone interact. energy: -1.984 local terms energy: -773.473794 where: bonds (distance) C4'-P energy: -139.112 bonds (distance) P-C4' energy: -158.078 flat angles C4'-P-C4' energy: -165.780 flat angles P-C4'-P energy: -110.737 tors. eta vs tors. theta energy: -199.766 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: 6, replica: 5 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -2346.552769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.552769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.552769 (E_RNA) where: Base-Base interactions energy: -1623.958 where: short stacking energy: -672.470 Base-Backbone interact. energy: -1.247 local terms energy: -721.347169 where: bonds (distance) C4'-P energy: -126.598 bonds (distance) P-C4' energy: -155.835 flat angles C4'-P-C4' energy: -173.171 flat angles P-C4'-P energy: -86.620 tors. eta vs tors. theta energy: -179.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1852.858713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.858713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.858713 (E_RNA) where: Base-Base interactions energy: -1261.865 where: short stacking energy: -577.295 Base-Backbone interact. energy: 6.345 local terms energy: -597.339089 where: bonds (distance) C4'-P energy: -112.856 bonds (distance) P-C4' energy: -148.688 flat angles C4'-P-C4' energy: -131.761 flat angles P-C4'-P energy: -85.610 tors. eta vs tors. theta energy: -118.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1690.741006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.741006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.741006 (E_RNA) where: Base-Base interactions energy: -1101.203 where: short stacking energy: -479.379 Base-Backbone interact. energy: 1.795 local terms energy: -591.332431 where: bonds (distance) C4'-P energy: -128.186 bonds (distance) P-C4' energy: -149.756 flat angles C4'-P-C4' energy: -125.941 flat angles P-C4'-P energy: -86.909 tors. eta vs tors. theta energy: -100.540 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: 1 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -1155.740231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.740231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.740231 (E_RNA) where: Base-Base interactions energy: -657.710 where: short stacking energy: -345.620 Base-Backbone interact. energy: -4.218 local terms energy: -493.812429 where: bonds (distance) C4'-P energy: -119.353 bonds (distance) P-C4' energy: -133.706 flat angles C4'-P-C4' energy: -117.016 flat angles P-C4'-P energy: -72.703 tors. eta vs tors. theta energy: -51.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -886.983618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.983618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.983618 (E_RNA) where: Base-Base interactions energy: -424.381 where: short stacking energy: -251.560 Base-Backbone interact. energy: -3.714 local terms energy: -458.888262 where: bonds (distance) C4'-P energy: -135.494 bonds (distance) P-C4' energy: -129.921 flat angles C4'-P-C4' energy: -108.513 flat angles P-C4'-P energy: -71.784 tors. eta vs tors. theta energy: -13.177 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: 6 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -2894.947593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.947593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.947593 (E_RNA) where: Base-Base interactions energy: -2003.735 where: short stacking energy: -857.008 Base-Backbone interact. energy: -2.279 local terms energy: -888.933272 where: bonds (distance) C4'-P energy: -166.460 bonds (distance) P-C4' energy: -160.863 flat angles C4'-P-C4' energy: -187.386 flat angles P-C4'-P energy: -120.901 tors. eta vs tors. theta energy: -253.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2818.061693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.061693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.061693 (E_RNA) where: Base-Base interactions energy: -1965.255 where: short stacking energy: -858.016 Base-Backbone interact. energy: -4.048 local terms energy: -848.758791 where: bonds (distance) C4'-P energy: -153.858 bonds (distance) P-C4' energy: -162.967 flat angles C4'-P-C4' energy: -168.917 flat angles P-C4'-P energy: -132.611 tors. eta vs tors. theta energy: -230.406 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: 3, replica: 8 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -2695.253641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.253641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.253641 (E_RNA) where: Base-Base interactions energy: -1866.514 where: short stacking energy: -824.897 Base-Backbone interact. energy: 1.758 local terms energy: -830.498117 where: bonds (distance) C4'-P energy: -145.308 bonds (distance) P-C4' energy: -149.732 flat angles C4'-P-C4' energy: -178.811 flat angles P-C4'-P energy: -117.680 tors. eta vs tors. theta energy: -238.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -2621.727231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.727231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.727231 (E_RNA) where: Base-Base interactions energy: -1804.768 where: short stacking energy: -789.229 Base-Backbone interact. energy: -3.469 local terms energy: -813.490526 where: bonds (distance) C4'-P energy: -164.227 bonds (distance) P-C4' energy: -154.464 flat angles C4'-P-C4' energy: -163.152 flat angles P-C4'-P energy: -105.848 tors. eta vs tors. theta energy: -225.801 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: 4 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -2462.352564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.352564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.352564 (E_RNA) where: Base-Base interactions energy: -1721.570 where: short stacking energy: -731.849 Base-Backbone interact. energy: -2.961 local terms energy: -737.821240 where: bonds (distance) C4'-P energy: -129.822 bonds (distance) P-C4' energy: -133.679 flat angles C4'-P-C4' energy: -168.485 flat angles P-C4'-P energy: -110.344 tors. eta vs tors. theta energy: -195.492 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: 243 Temperature: 1.150000 Total energy: -2364.291507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.291507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.291507 (E_RNA) where: Base-Base interactions energy: -1611.256 where: short stacking energy: -682.822 Base-Backbone interact. energy: -2.613 local terms energy: -750.422842 where: bonds (distance) C4'-P energy: -162.497 bonds (distance) P-C4' energy: -142.038 flat angles C4'-P-C4' energy: -168.842 flat angles P-C4'-P energy: -89.888 tors. eta vs tors. theta energy: -187.158 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: 7, replica: 9 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1854.628193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.628193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.628193 (E_RNA) where: Base-Base interactions energy: -1218.500 where: short stacking energy: -510.662 Base-Backbone interact. energy: -2.276 local terms energy: -633.851709 where: bonds (distance) C4'-P energy: -115.888 bonds (distance) P-C4' energy: -159.799 flat angles C4'-P-C4' energy: -140.920 flat angles P-C4'-P energy: -96.336 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: 8, replica: 2 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1697.472886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.472886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.472886 (E_RNA) where: Base-Base interactions energy: -1121.364 where: short stacking energy: -517.331 Base-Backbone interact. energy: 0.909 local terms energy: -577.017846 where: bonds (distance) C4'-P energy: -108.676 bonds (distance) P-C4' energy: -143.671 flat angles C4'-P-C4' energy: -127.220 flat angles P-C4'-P energy: -70.279 tors. eta vs tors. theta energy: -127.172 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: 1 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -1149.674028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.674028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.674028 (E_RNA) where: Base-Base interactions energy: -658.423 where: short stacking energy: -325.678 Base-Backbone interact. energy: 3.529 local terms energy: -494.780415 where: bonds (distance) C4'-P energy: -120.185 bonds (distance) P-C4' energy: -149.752 flat angles C4'-P-C4' energy: -136.162 flat angles P-C4'-P energy: -55.318 tors. eta vs tors. theta energy: -33.364 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: 10, replica: 3 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -846.008964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.008964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.008964 (E_RNA) where: Base-Base interactions energy: -442.071 where: short stacking energy: -290.343 Base-Backbone interact. energy: 7.376 local terms energy: -411.314451 where: bonds (distance) C4'-P energy: -116.570 bonds (distance) P-C4' energy: -113.067 flat angles C4'-P-C4' energy: -124.352 flat angles P-C4'-P energy: -62.885 tors. eta vs tors. theta energy: 5.559 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: 6 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -2886.965723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.965723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.965723 (E_RNA) where: Base-Base interactions energy: -2004.783 where: short stacking energy: -855.442 Base-Backbone interact. energy: -3.675 local terms energy: -878.508366 where: bonds (distance) C4'-P energy: -167.521 bonds (distance) P-C4' energy: -167.051 flat angles C4'-P-C4' energy: -178.347 flat angles P-C4'-P energy: -122.279 tors. eta vs tors. theta energy: -243.309 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: 7 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2801.840972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.840972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.840972 (E_RNA) where: Base-Base interactions energy: -1915.938 where: short stacking energy: -852.761 Base-Backbone interact. energy: -2.154 local terms energy: -883.748877 where: bonds (distance) C4'-P energy: -165.068 bonds (distance) P-C4' energy: -173.010 flat angles C4'-P-C4' energy: -185.003 flat angles P-C4'-P energy: -128.560 tors. eta vs tors. theta energy: -232.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2661.599286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.599286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.599286 (E_RNA) where: Base-Base interactions energy: -1838.243 where: short stacking energy: -779.574 Base-Backbone interact. energy: 4.405 local terms energy: -827.761704 where: bonds (distance) C4'-P energy: -152.834 bonds (distance) P-C4' energy: -142.085 flat angles C4'-P-C4' energy: -177.427 flat angles P-C4'-P energy: -122.218 tors. eta vs tors. theta energy: -233.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -2591.427031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.427031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.427031 (E_RNA) where: Base-Base interactions energy: -1789.635 where: short stacking energy: -772.417 Base-Backbone interact. energy: -6.960 local terms energy: -794.831521 where: bonds (distance) C4'-P energy: -140.833 bonds (distance) P-C4' energy: -160.014 flat angles C4'-P-C4' energy: -169.940 flat angles P-C4'-P energy: -109.363 tors. eta vs tors. theta energy: -214.682 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: 244 Temperature: 1.100000 Total energy: -2451.084990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.084990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.084990 (E_RNA) where: Base-Base interactions energy: -1686.479 where: short stacking energy: -730.568 Base-Backbone interact. energy: 0.393 local terms energy: -764.999117 where: bonds (distance) C4'-P energy: -160.047 bonds (distance) P-C4' energy: -137.954 flat angles C4'-P-C4' energy: -159.942 flat angles P-C4'-P energy: -103.305 tors. eta vs tors. theta energy: -203.752 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: 6, replica: 5 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -2361.592182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.592182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.592182 (E_RNA) where: Base-Base interactions energy: -1634.612 where: short stacking energy: -686.087 Base-Backbone interact. energy: -3.879 local terms energy: -723.101355 where: bonds (distance) C4'-P energy: -124.158 bonds (distance) P-C4' energy: -146.037 flat angles C4'-P-C4' energy: -157.129 flat angles P-C4'-P energy: -117.238 tors. eta vs tors. theta energy: -178.540 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: 7, replica: 9 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1963.849571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.849571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.849571 (E_RNA) where: Base-Base interactions energy: -1322.056 where: short stacking energy: -594.486 Base-Backbone interact. energy: -2.034 local terms energy: -639.759478 where: bonds (distance) C4'-P energy: -124.018 bonds (distance) P-C4' energy: -147.837 flat angles C4'-P-C4' energy: -149.822 flat angles P-C4'-P energy: -66.694 tors. eta vs tors. theta energy: -151.388 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: 8, replica: 2 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1673.855843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.855843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.855843 (E_RNA) where: Base-Base interactions energy: -1050.355 where: short stacking energy: -469.855 Base-Backbone interact. energy: -0.648 local terms energy: -622.852403 where: bonds (distance) C4'-P energy: -142.632 bonds (distance) P-C4' energy: -139.231 flat angles C4'-P-C4' energy: -169.039 flat angles P-C4'-P energy: -86.445 tors. eta vs tors. theta energy: -85.505 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: 1 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -1190.370066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.370066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.370066 (E_RNA) where: Base-Base interactions energy: -688.754 where: short stacking energy: -367.627 Base-Backbone interact. energy: 2.395 local terms energy: -504.010745 where: bonds (distance) C4'-P energy: -112.532 bonds (distance) P-C4' energy: -149.239 flat angles C4'-P-C4' energy: -119.176 flat angles P-C4'-P energy: -74.140 tors. eta vs tors. theta energy: -48.924 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: 10, replica: 3 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -902.420037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.420037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.420037 (E_RNA) where: Base-Base interactions energy: -475.130 where: short stacking energy: -265.915 Base-Backbone interact. energy: 4.265 local terms energy: -431.555055 where: bonds (distance) C4'-P energy: -144.453 bonds (distance) P-C4' energy: -130.799 flat angles C4'-P-C4' energy: -94.118 flat angles P-C4'-P energy: -72.256 tors. eta vs tors. theta energy: 10.071 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: 1, replica: 6 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -2917.405609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.405609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.405609 (E_RNA) where: Base-Base interactions energy: -2022.586 where: short stacking energy: -875.682 Base-Backbone interact. energy: -5.823 local terms energy: -888.996559 where: bonds (distance) C4'-P energy: -158.265 bonds (distance) P-C4' energy: -166.434 flat angles C4'-P-C4' energy: -190.117 flat angles P-C4'-P energy: -120.614 tors. eta vs tors. theta energy: -253.567 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: 2, replica: 7 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2742.251907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.251907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.251907 (E_RNA) where: Base-Base interactions energy: -1897.400 where: short stacking energy: -786.986 Base-Backbone interact. energy: -4.190 local terms energy: -840.662009 where: bonds (distance) C4'-P energy: -148.445 bonds (distance) P-C4' energy: -156.401 flat angles C4'-P-C4' energy: -191.397 flat angles P-C4'-P energy: -112.260 tors. eta vs tors. theta energy: -232.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -2663.829695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.829695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.829695 (E_RNA) where: Base-Base interactions energy: -1830.712 where: short stacking energy: -798.070 Base-Backbone interact. energy: -2.429 local terms energy: -830.688271 where: bonds (distance) C4'-P energy: -159.239 bonds (distance) P-C4' energy: -147.269 flat angles C4'-P-C4' energy: -181.268 flat angles P-C4'-P energy: -107.879 tors. eta vs tors. theta energy: -235.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -2606.871260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.871260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.871260 (E_RNA) where: Base-Base interactions energy: -1806.316 where: short stacking energy: -792.771 Base-Backbone interact. energy: -5.724 local terms energy: -794.831740 where: bonds (distance) C4'-P energy: -160.308 bonds (distance) P-C4' energy: -134.507 flat angles C4'-P-C4' energy: -169.773 flat angles P-C4'-P energy: -109.439 tors. eta vs tors. theta energy: -220.805 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: 5, replica: 4 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -2457.455745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.455745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.455745 (E_RNA) where: Base-Base interactions energy: -1707.948 where: short stacking energy: -744.799 Base-Backbone interact. energy: -3.118 local terms energy: -746.388816 where: bonds (distance) C4'-P energy: -137.142 bonds (distance) P-C4' energy: -134.159 flat angles C4'-P-C4' energy: -175.194 flat angles P-C4'-P energy: -88.510 tors. eta vs tors. theta energy: -211.384 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: 245 Temperature: 1.150000 Total energy: -2303.011085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.011085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.011085 (E_RNA) where: Base-Base interactions energy: -1605.835 where: short stacking energy: -671.222 Base-Backbone interact. energy: -1.694 local terms energy: -695.482918 where: bonds (distance) C4'-P energy: -134.687 bonds (distance) P-C4' energy: -129.625 flat angles C4'-P-C4' energy: -148.429 flat angles P-C4'-P energy: -102.139 tors. eta vs tors. theta energy: -180.602 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: 9 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1955.342890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.342890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.342890 (E_RNA) where: Base-Base interactions energy: -1278.969 where: short stacking energy: -570.630 Base-Backbone interact. energy: -1.566 local terms energy: -674.808408 where: bonds (distance) C4'-P energy: -149.802 bonds (distance) P-C4' energy: -120.437 flat angles C4'-P-C4' energy: -162.713 flat angles P-C4'-P energy: -93.316 tors. eta vs tors. theta energy: -148.540 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: 8, replica: 2 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1705.449733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.449733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.449733 (E_RNA) where: Base-Base interactions energy: -1111.672 where: short stacking energy: -511.093 Base-Backbone interact. energy: -2.893 local terms energy: -590.884863 where: bonds (distance) C4'-P energy: -123.422 bonds (distance) P-C4' energy: -133.298 flat angles C4'-P-C4' energy: -154.996 flat angles P-C4'-P energy: -79.494 tors. eta vs tors. theta energy: -99.676 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: 9, replica: 1 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -1223.445299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.445299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.445299 (E_RNA) where: Base-Base interactions energy: -690.157 where: short stacking energy: -370.002 Base-Backbone interact. energy: -2.584 local terms energy: -530.704636 where: bonds (distance) C4'-P energy: -129.696 bonds (distance) P-C4' energy: -139.097 flat angles C4'-P-C4' energy: -137.031 flat angles P-C4'-P energy: -82.096 tors. eta vs tors. theta energy: -42.785 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: 10, replica: 3 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -877.662089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.662089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.662089 (E_RNA) where: Base-Base interactions energy: -413.937 where: short stacking energy: -248.708 Base-Backbone interact. energy: 2.838 local terms energy: -466.562855 where: bonds (distance) C4'-P energy: -112.910 bonds (distance) P-C4' energy: -140.713 flat angles C4'-P-C4' energy: -110.579 flat angles P-C4'-P energy: -86.169 tors. eta vs tors. theta energy: -16.191 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: 6 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -2914.900085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.900085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.900085 (E_RNA) where: Base-Base interactions energy: -2046.057 where: short stacking energy: -890.224 Base-Backbone interact. energy: 1.859 local terms energy: -870.701619 where: bonds (distance) C4'-P energy: -153.404 bonds (distance) P-C4' energy: -151.890 flat angles C4'-P-C4' energy: -185.246 flat angles P-C4'-P energy: -121.308 tors. eta vs tors. theta energy: -258.853 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: 7 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2763.201062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.201062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.201062 (E_RNA) where: Base-Base interactions energy: -1907.235 where: short stacking energy: -830.993 Base-Backbone interact. energy: -3.385 local terms energy: -852.580962 where: bonds (distance) C4'-P energy: -161.946 bonds (distance) P-C4' energy: -148.822 flat angles C4'-P-C4' energy: -178.142 flat angles P-C4'-P energy: -119.958 tors. eta vs tors. theta energy: -243.712 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: 10 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2727.573121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.573121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.573121 (E_RNA) where: Base-Base interactions energy: -1901.636 where: short stacking energy: -828.344 Base-Backbone interact. energy: -2.851 local terms energy: -823.085964 where: bonds (distance) C4'-P energy: -145.367 bonds (distance) P-C4' energy: -149.609 flat angles C4'-P-C4' energy: -192.673 flat angles P-C4'-P energy: -110.478 tors. eta vs tors. theta energy: -224.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -2631.344977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.344977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.344977 (E_RNA) where: Base-Base interactions energy: -1808.182 where: short stacking energy: -788.008 Base-Backbone interact. energy: -3.799 local terms energy: -819.364095 where: bonds (distance) C4'-P energy: -138.058 bonds (distance) P-C4' energy: -150.126 flat angles C4'-P-C4' energy: -187.578 flat angles P-C4'-P energy: -103.715 tors. eta vs tors. theta energy: -239.887 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: 5, replica: 4 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -2451.196667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.196667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.196667 (E_RNA) where: Base-Base interactions energy: -1687.107 where: short stacking energy: -751.336 Base-Backbone interact. energy: -2.415 local terms energy: -761.674056 where: bonds (distance) C4'-P energy: -141.996 bonds (distance) P-C4' energy: -133.657 flat angles C4'-P-C4' energy: -162.077 flat angles P-C4'-P energy: -113.194 tors. eta vs tors. theta energy: -210.751 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: 6, replica: 5 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -2293.176014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.176014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.176014 (E_RNA) where: Base-Base interactions energy: -1558.756 where: short stacking energy: -660.806 Base-Backbone interact. energy: -1.798 local terms energy: -732.622516 where: bonds (distance) C4'-P energy: -156.308 bonds (distance) P-C4' energy: -155.648 flat angles C4'-P-C4' energy: -161.745 flat angles P-C4'-P energy: -87.229 tors. eta vs tors. theta energy: -171.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1968.778028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.778028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.778028 (E_RNA) where: Base-Base interactions energy: -1317.593 where: short stacking energy: -600.748 Base-Backbone interact. energy: 1.222 local terms energy: -652.406654 where: bonds (distance) C4'-P energy: -128.928 bonds (distance) P-C4' energy: -147.531 flat angles C4'-P-C4' energy: -139.266 flat angles P-C4'-P energy: -85.564 tors. eta vs tors. theta energy: -151.117 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: 8, replica: 2 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1688.775982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.775982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.775982 (E_RNA) where: Base-Base interactions energy: -1068.363 where: short stacking energy: -485.314 Base-Backbone interact. energy: -1.234 local terms energy: -619.179475 where: bonds (distance) C4'-P energy: -115.931 bonds (distance) P-C4' energy: -137.883 flat angles C4'-P-C4' energy: -145.777 flat angles P-C4'-P energy: -78.306 tors. eta vs tors. theta energy: -141.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -1173.636553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.636553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.636553 (E_RNA) where: Base-Base interactions energy: -688.841 where: short stacking energy: -331.001 Base-Backbone interact. energy: -1.839 local terms energy: -482.956747 where: bonds (distance) C4'-P energy: -120.861 bonds (distance) P-C4' energy: -131.571 flat angles C4'-P-C4' energy: -134.864 flat angles P-C4'-P energy: -68.573 tors. eta vs tors. theta energy: -27.088 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: 3 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -800.465216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.465216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.465216 (E_RNA) where: Base-Base interactions energy: -350.240 where: short stacking energy: -238.581 Base-Backbone interact. energy: 0.557 local terms energy: -450.782198 where: bonds (distance) C4'-P energy: -132.622 bonds (distance) P-C4' energy: -133.567 flat angles C4'-P-C4' energy: -103.675 flat angles P-C4'-P energy: -81.658 tors. eta vs tors. theta energy: 0.741 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: 6 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -2901.890486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.890486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.890486 (E_RNA) where: Base-Base interactions energy: -2032.235 where: short stacking energy: -853.613 Base-Backbone interact. energy: -2.089 local terms energy: -867.566851 where: bonds (distance) C4'-P energy: -157.417 bonds (distance) P-C4' energy: -160.553 flat angles C4'-P-C4' energy: -177.815 flat angles P-C4'-P energy: -136.070 tors. eta vs tors. theta energy: -235.711 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: 2, replica: 7 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2768.270970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.270970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.270970 (E_RNA) where: Base-Base interactions energy: -1900.689 where: short stacking energy: -849.230 Base-Backbone interact. energy: -2.004 local terms energy: -865.577432 where: bonds (distance) C4'-P energy: -156.556 bonds (distance) P-C4' energy: -167.066 flat angles C4'-P-C4' energy: -174.682 flat angles P-C4'-P energy: -128.180 tors. eta vs tors. theta energy: -239.094 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: 3, replica: 10 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2682.776577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.776577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.776577 (E_RNA) where: Base-Base interactions energy: -1877.242 where: short stacking energy: -812.914 Base-Backbone interact. energy: -1.559 local terms energy: -803.975372 where: bonds (distance) C4'-P energy: -151.719 bonds (distance) P-C4' energy: -148.401 flat angles C4'-P-C4' energy: -174.108 flat angles P-C4'-P energy: -109.001 tors. eta vs tors. theta energy: -220.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -2583.786991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.786991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.786991 (E_RNA) where: Base-Base interactions energy: -1788.632 where: short stacking energy: -787.333 Base-Backbone interact. energy: 0.858 local terms energy: -796.013093 where: bonds (distance) C4'-P energy: -145.531 bonds (distance) P-C4' energy: -136.782 flat angles C4'-P-C4' energy: -177.359 flat angles P-C4'-P energy: -105.316 tors. eta vs tors. theta energy: -231.025 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: 5, replica: 4 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -2420.492451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.492451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.492451 (E_RNA) where: Base-Base interactions energy: -1657.907 where: short stacking energy: -712.432 Base-Backbone interact. energy: -1.546 local terms energy: -761.039989 where: bonds (distance) C4'-P energy: -149.751 bonds (distance) P-C4' energy: -153.879 flat angles C4'-P-C4' energy: -157.216 flat angles P-C4'-P energy: -106.287 tors. eta vs tors. theta energy: -193.906 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: 5 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -2339.745456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.745456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.745456 (E_RNA) where: Base-Base interactions energy: -1620.252 where: short stacking energy: -678.606 Base-Backbone interact. energy: -3.464 local terms energy: -716.029581 where: bonds (distance) C4'-P energy: -122.259 bonds (distance) P-C4' energy: -149.153 flat angles C4'-P-C4' energy: -155.578 flat angles P-C4'-P energy: -102.262 tors. eta vs tors. theta energy: -186.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1926.842115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.842115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.842115 (E_RNA) where: Base-Base interactions energy: -1271.625 where: short stacking energy: -610.020 Base-Backbone interact. energy: -0.509 local terms energy: -654.708399 where: bonds (distance) C4'-P energy: -131.507 bonds (distance) P-C4' energy: -126.715 flat angles C4'-P-C4' energy: -159.359 flat angles P-C4'-P energy: -90.024 tors. eta vs tors. theta energy: -147.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1785.014367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.014367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.014367 (E_RNA) where: Base-Base interactions energy: -1177.383 where: short stacking energy: -543.142 Base-Backbone interact. energy: 0.153 local terms energy: -607.784413 where: bonds (distance) C4'-P energy: -110.829 bonds (distance) P-C4' energy: -148.711 flat angles C4'-P-C4' energy: -143.093 flat angles P-C4'-P energy: -83.145 tors. eta vs tors. theta energy: -122.006 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: 1 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -1206.107460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.107460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.107460 (E_RNA) where: Base-Base interactions energy: -720.136 where: short stacking energy: -361.713 Base-Backbone interact. energy: 2.847 local terms energy: -488.818683 where: bonds (distance) C4'-P energy: -112.317 bonds (distance) P-C4' energy: -126.103 flat angles C4'-P-C4' energy: -140.315 flat angles P-C4'-P energy: -77.872 tors. eta vs tors. theta energy: -32.211 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: 3 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -804.324848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.324848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.324848 (E_RNA) where: Base-Base interactions energy: -364.590 where: short stacking energy: -236.041 Base-Backbone interact. energy: -0.450 local terms energy: -439.284583 where: bonds (distance) C4'-P energy: -103.658 bonds (distance) P-C4' energy: -135.387 flat angles C4'-P-C4' energy: -127.987 flat angles P-C4'-P energy: -82.015 tors. eta vs tors. theta energy: 9.762 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: 1, replica: 6 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -2919.628028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.628028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.628028 (E_RNA) where: Base-Base interactions energy: -2043.567 where: short stacking energy: -865.847 Base-Backbone interact. energy: 0.214 local terms energy: -876.275818 where: bonds (distance) C4'-P energy: -149.171 bonds (distance) P-C4' energy: -166.446 flat angles C4'-P-C4' energy: -186.458 flat angles P-C4'-P energy: -119.676 tors. eta vs tors. theta energy: -254.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -2784.777453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.777453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.777453 (E_RNA) where: Base-Base interactions energy: -1922.318 where: short stacking energy: -833.268 Base-Backbone interact. energy: -3.825 local terms energy: -858.634219 where: bonds (distance) C4'-P energy: -160.358 bonds (distance) P-C4' energy: -163.151 flat angles C4'-P-C4' energy: -179.687 flat angles P-C4'-P energy: -122.769 tors. eta vs tors. theta energy: -232.669 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: 10 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2708.991792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.991792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.991792 (E_RNA) where: Base-Base interactions energy: -1889.236 where: short stacking energy: -785.058 Base-Backbone interact. energy: -1.126 local terms energy: -818.629888 where: bonds (distance) C4'-P energy: -153.598 bonds (distance) P-C4' energy: -158.723 flat angles C4'-P-C4' energy: -177.322 flat angles P-C4'-P energy: -105.143 tors. eta vs tors. theta energy: -223.844 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: 8 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -2537.815660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.815660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.815660 (E_RNA) where: Base-Base interactions energy: -1761.010 where: short stacking energy: -757.925 Base-Backbone interact. energy: 1.755 local terms energy: -778.560473 where: bonds (distance) C4'-P energy: -138.732 bonds (distance) P-C4' energy: -142.221 flat angles C4'-P-C4' energy: -170.753 flat angles P-C4'-P energy: -112.519 tors. eta vs tors. theta energy: -214.335 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: 4 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -2458.465701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.465701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.465701 (E_RNA) where: Base-Base interactions energy: -1662.896 where: short stacking energy: -729.540 Base-Backbone interact. energy: -3.605 local terms energy: -791.964621 where: bonds (distance) C4'-P energy: -154.413 bonds (distance) P-C4' energy: -147.981 flat angles C4'-P-C4' energy: -169.518 flat angles P-C4'-P energy: -102.511 tors. eta vs tors. theta energy: -217.542 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: 6, replica: 5 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -2336.491702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.491702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.491702 (E_RNA) where: Base-Base interactions energy: -1602.266 where: short stacking energy: -701.369 Base-Backbone interact. energy: -1.965 local terms energy: -732.260960 where: bonds (distance) C4'-P energy: -155.022 bonds (distance) P-C4' energy: -147.447 flat angles C4'-P-C4' energy: -145.453 flat angles P-C4'-P energy: -99.053 tors. eta vs tors. theta energy: -185.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1912.811343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.811343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.811343 (E_RNA) where: Base-Base interactions energy: -1246.295 where: short stacking energy: -563.576 Base-Backbone interact. energy: -2.935 local terms energy: -663.581245 where: bonds (distance) C4'-P energy: -143.216 bonds (distance) P-C4' energy: -161.861 flat angles C4'-P-C4' energy: -140.206 flat angles P-C4'-P energy: -88.676 tors. eta vs tors. theta energy: -129.622 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: 2 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1736.016764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.016764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.016764 (E_RNA) where: Base-Base interactions energy: -1145.770 where: short stacking energy: -501.500 Base-Backbone interact. energy: 0.289 local terms energy: -590.536142 where: bonds (distance) C4'-P energy: -141.543 bonds (distance) P-C4' energy: -118.653 flat angles C4'-P-C4' energy: -149.960 flat angles P-C4'-P energy: -84.066 tors. eta vs tors. theta energy: -96.314 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: 1 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -1213.798154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.798154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.798154 (E_RNA) where: Base-Base interactions energy: -740.705 where: short stacking energy: -382.594 Base-Backbone interact. energy: 13.036 local terms energy: -486.128377 where: bonds (distance) C4'-P energy: -123.057 bonds (distance) P-C4' energy: -108.033 flat angles C4'-P-C4' energy: -135.028 flat angles P-C4'-P energy: -70.658 tors. eta vs tors. theta energy: -49.353 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: 3 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -923.405994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.405994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.405994 (E_RNA) where: Base-Base interactions energy: -434.510 where: short stacking energy: -256.451 Base-Backbone interact. energy: 1.798 local terms energy: -490.694161 where: bonds (distance) C4'-P energy: -115.121 bonds (distance) P-C4' energy: -159.495 flat angles C4'-P-C4' energy: -120.651 flat angles P-C4'-P energy: -74.213 tors. eta vs tors. theta energy: -21.215 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: 1, replica: 6 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -2896.359829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.359829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.359829 (E_RNA) where: Base-Base interactions energy: -2051.684 where: short stacking energy: -868.153 Base-Backbone interact. energy: -2.240 local terms energy: -842.435524 where: bonds (distance) C4'-P energy: -145.691 bonds (distance) P-C4' energy: -158.956 flat angles C4'-P-C4' energy: -175.634 flat angles P-C4'-P energy: -125.309 tors. eta vs tors. theta energy: -236.845 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: 10 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -2793.050372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.050372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.050372 (E_RNA) where: Base-Base interactions energy: -1947.593 where: short stacking energy: -829.848 Base-Backbone interact. energy: -7.039 local terms energy: -838.417829 where: bonds (distance) C4'-P energy: -163.017 bonds (distance) P-C4' energy: -159.043 flat angles C4'-P-C4' energy: -179.647 flat angles P-C4'-P energy: -115.009 tors. eta vs tors. theta energy: -221.702 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: 3, replica: 7 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -2742.926169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.926169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.926169 (E_RNA) where: Base-Base interactions energy: -1878.467 where: short stacking energy: -825.853 Base-Backbone interact. energy: -2.369 local terms energy: -862.089711 where: bonds (distance) C4'-P energy: -155.503 bonds (distance) P-C4' energy: -164.137 flat angles C4'-P-C4' energy: -181.784 flat angles P-C4'-P energy: -121.836 tors. eta vs tors. theta energy: -238.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -2552.333617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.333617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.333617 (E_RNA) where: Base-Base interactions energy: -1748.740 where: short stacking energy: -752.593 Base-Backbone interact. energy: -4.396 local terms energy: -799.197134 where: bonds (distance) C4'-P energy: -151.815 bonds (distance) P-C4' energy: -162.613 flat angles C4'-P-C4' energy: -164.010 flat angles P-C4'-P energy: -107.149 tors. eta vs tors. theta energy: -213.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -2453.451763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.451763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.451763 (E_RNA) where: Base-Base interactions energy: -1679.156 where: short stacking energy: -744.621 Base-Backbone interact. energy: -2.395 local terms energy: -771.899862 where: bonds (distance) C4'-P energy: -128.123 bonds (distance) P-C4' energy: -142.639 flat angles C4'-P-C4' energy: -180.384 flat angles P-C4'-P energy: -102.944 tors. eta vs tors. theta energy: -217.810 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: 5 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -2351.132725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.132725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.132725 (E_RNA) where: Base-Base interactions energy: -1615.002 where: short stacking energy: -686.568 Base-Backbone interact. energy: 2.800 local terms energy: -738.930635 where: bonds (distance) C4'-P energy: -124.814 bonds (distance) P-C4' energy: -149.300 flat angles C4'-P-C4' energy: -167.760 flat angles P-C4'-P energy: -120.877 tors. eta vs tors. theta energy: -176.181 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: 9 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1923.214214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.214214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.214214 (E_RNA) where: Base-Base interactions energy: -1270.957 where: short stacking energy: -575.348 Base-Backbone interact. energy: -2.984 local terms energy: -649.272852 where: bonds (distance) C4'-P energy: -142.976 bonds (distance) P-C4' energy: -115.031 flat angles C4'-P-C4' energy: -155.163 flat angles P-C4'-P energy: -104.991 tors. eta vs tors. theta energy: -131.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1713.040610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.040610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.040610 (E_RNA) where: Base-Base interactions energy: -1153.081 where: short stacking energy: -525.681 Base-Backbone interact. energy: 12.010 local terms energy: -571.969255 where: bonds (distance) C4'-P energy: -117.618 bonds (distance) P-C4' energy: -123.248 flat angles C4'-P-C4' energy: -138.636 flat angles P-C4'-P energy: -74.570 tors. eta vs tors. theta energy: -117.897 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: 1 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -1254.550872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.550872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.550872 (E_RNA) where: Base-Base interactions energy: -747.707 where: short stacking energy: -350.750 Base-Backbone interact. energy: -0.640 local terms energy: -506.203723 where: bonds (distance) C4'-P energy: -149.128 bonds (distance) P-C4' energy: -133.372 flat angles C4'-P-C4' energy: -100.153 flat angles P-C4'-P energy: -80.883 tors. eta vs tors. theta energy: -42.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -888.799400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.799400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.799400 (E_RNA) where: Base-Base interactions energy: -439.753 where: short stacking energy: -268.536 Base-Backbone interact. energy: 0.360 local terms energy: -449.407263 where: bonds (distance) C4'-P energy: -131.761 bonds (distance) P-C4' energy: -130.345 flat angles C4'-P-C4' energy: -131.101 flat angles P-C4'-P energy: -50.085 tors. eta vs tors. theta energy: -6.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -2924.663177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.663177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.663177 (E_RNA) where: Base-Base interactions energy: -2006.207 where: short stacking energy: -871.092 Base-Backbone interact. energy: 0.626 local terms energy: -919.082331 where: bonds (distance) C4'-P energy: -161.015 bonds (distance) P-C4' energy: -181.884 flat angles C4'-P-C4' energy: -193.929 flat angles P-C4'-P energy: -128.079 tors. eta vs tors. theta energy: -254.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -2798.341819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.341819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.341819 (E_RNA) where: Base-Base interactions energy: -1969.845 where: short stacking energy: -844.457 Base-Backbone interact. energy: 3.719 local terms energy: -832.216387 where: bonds (distance) C4'-P energy: -150.519 bonds (distance) P-C4' energy: -165.278 flat angles C4'-P-C4' energy: -178.219 flat angles P-C4'-P energy: -115.544 tors. eta vs tors. theta energy: -222.656 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: 7 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -2760.261792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.261792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.261792 (E_RNA) where: Base-Base interactions energy: -1905.791 where: short stacking energy: -842.700 Base-Backbone interact. energy: -3.411 local terms energy: -851.059455 where: bonds (distance) C4'-P energy: -153.542 bonds (distance) P-C4' energy: -149.026 flat angles C4'-P-C4' energy: -177.866 flat angles P-C4'-P energy: -130.425 tors. eta vs tors. theta energy: -240.201 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: 8 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -2608.331131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.331131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.331131 (E_RNA) where: Base-Base interactions energy: -1799.632 where: short stacking energy: -786.446 Base-Backbone interact. energy: -0.442 local terms energy: -808.257012 where: bonds (distance) C4'-P energy: -147.844 bonds (distance) P-C4' energy: -155.766 flat angles C4'-P-C4' energy: -163.678 flat angles P-C4'-P energy: -117.432 tors. eta vs tors. theta energy: -223.537 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: 5, replica: 4 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -2492.722123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.722123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.722123 (E_RNA) where: Base-Base interactions energy: -1709.874 where: short stacking energy: -750.968 Base-Backbone interact. energy: -4.390 local terms energy: -778.458062 where: bonds (distance) C4'-P energy: -155.067 bonds (distance) P-C4' energy: -145.014 flat angles C4'-P-C4' energy: -158.635 flat angles P-C4'-P energy: -102.967 tors. eta vs tors. theta energy: -216.775 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: 6, replica: 5 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -2427.150790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.150790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.150790 (E_RNA) where: Base-Base interactions energy: -1666.052 where: short stacking energy: -713.268 Base-Backbone interact. energy: -3.241 local terms energy: -757.857602 where: bonds (distance) C4'-P energy: -127.502 bonds (distance) P-C4' energy: -143.057 flat angles C4'-P-C4' energy: -173.277 flat angles P-C4'-P energy: -103.883 tors. eta vs tors. theta energy: -210.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1924.769699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.769699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.769699 (E_RNA) where: Base-Base interactions energy: -1298.797 where: short stacking energy: -554.370 Base-Backbone interact. energy: -1.631 local terms energy: -624.342038 where: bonds (distance) C4'-P energy: -129.383 bonds (distance) P-C4' energy: -138.603 flat angles C4'-P-C4' energy: -164.341 flat angles P-C4'-P energy: -71.000 tors. eta vs tors. theta energy: -121.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1651.503488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.503488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.503488 (E_RNA) where: Base-Base interactions energy: -1079.694 where: short stacking energy: -482.079 Base-Backbone interact. energy: -2.111 local terms energy: -569.698878 where: bonds (distance) C4'-P energy: -135.689 bonds (distance) P-C4' energy: -114.632 flat angles C4'-P-C4' energy: -141.029 flat angles P-C4'-P energy: -83.788 tors. eta vs tors. theta energy: -94.561 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: 1 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -1291.953416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.953416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.953416 (E_RNA) where: Base-Base interactions energy: -809.072 where: short stacking energy: -407.886 Base-Backbone interact. energy: -0.349 local terms energy: -482.532612 where: bonds (distance) C4'-P energy: -104.753 bonds (distance) P-C4' energy: -111.003 flat angles C4'-P-C4' energy: -128.181 flat angles P-C4'-P energy: -85.931 tors. eta vs tors. theta energy: -52.665 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: 3 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -921.686989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.686989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.686989 (E_RNA) where: Base-Base interactions energy: -440.879 where: short stacking energy: -248.146 Base-Backbone interact. energy: -1.060 local terms energy: -479.747937 where: bonds (distance) C4'-P energy: -143.634 bonds (distance) P-C4' energy: -139.519 flat angles C4'-P-C4' energy: -107.133 flat angles P-C4'-P energy: -82.662 tors. eta vs tors. theta energy: -6.800 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: 6 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -2914.221354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.221354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.221354 (E_RNA) where: Base-Base interactions energy: -2012.071 where: short stacking energy: -853.559 Base-Backbone interact. energy: -1.863 local terms energy: -900.287251 where: bonds (distance) C4'-P energy: -162.396 bonds (distance) P-C4' energy: -171.761 flat angles C4'-P-C4' energy: -189.395 flat angles P-C4'-P energy: -121.070 tors. eta vs tors. theta energy: -255.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2782.544208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.544208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.544208 (E_RNA) where: Base-Base interactions energy: -1917.152 where: short stacking energy: -855.025 Base-Backbone interact. energy: -3.387 local terms energy: -862.005981 where: bonds (distance) C4'-P energy: -139.203 bonds (distance) P-C4' energy: -161.350 flat angles C4'-P-C4' energy: -193.959 flat angles P-C4'-P energy: -127.909 tors. eta vs tors. theta energy: -239.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2722.860239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.860239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.860239 (E_RNA) where: Base-Base interactions energy: -1926.796 where: short stacking energy: -807.347 Base-Backbone interact. energy: -1.751 local terms energy: -794.313223 where: bonds (distance) C4'-P energy: -130.978 bonds (distance) P-C4' energy: -162.986 flat angles C4'-P-C4' energy: -171.243 flat angles P-C4'-P energy: -116.047 tors. eta vs tors. theta energy: -213.059 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: 8 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -2601.110274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.110274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.110274 (E_RNA) where: Base-Base interactions energy: -1788.259 where: short stacking energy: -760.518 Base-Backbone interact. energy: -1.651 local terms energy: -811.199528 where: bonds (distance) C4'-P energy: -142.224 bonds (distance) P-C4' energy: -161.099 flat angles C4'-P-C4' energy: -176.192 flat angles P-C4'-P energy: -116.649 tors. eta vs tors. theta energy: -215.036 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: 251 Temperature: 1.100000 Total energy: -2432.434726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.434726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.434726 (E_RNA) where: Base-Base interactions energy: -1673.303 where: short stacking energy: -726.191 Base-Backbone interact. energy: -1.563 local terms energy: -757.568744 where: bonds (distance) C4'-P energy: -141.430 bonds (distance) P-C4' energy: -146.346 flat angles C4'-P-C4' energy: -156.297 flat angles P-C4'-P energy: -112.245 tors. eta vs tors. theta energy: -201.251 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: 6, replica: 5 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -2392.852571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.852571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.852571 (E_RNA) where: Base-Base interactions energy: -1658.287 where: short stacking energy: -682.601 Base-Backbone interact. energy: -4.444 local terms energy: -730.121344 where: bonds (distance) C4'-P energy: -139.498 bonds (distance) P-C4' energy: -138.784 flat angles C4'-P-C4' energy: -157.973 flat angles P-C4'-P energy: -106.328 tors. eta vs tors. theta energy: -187.538 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: 251 Temperature: 1.200000 Total energy: -1956.921490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.921490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.921490 (E_RNA) where: Base-Base interactions energy: -1299.483 where: short stacking energy: -559.740 Base-Backbone interact. energy: 0.146 local terms energy: -657.584852 where: bonds (distance) C4'-P energy: -140.359 bonds (distance) P-C4' energy: -154.458 flat angles C4'-P-C4' energy: -140.432 flat angles P-C4'-P energy: -95.108 tors. eta vs tors. theta energy: -127.228 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: 8, replica: 2 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1700.026564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.026564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.026564 (E_RNA) where: Base-Base interactions energy: -1137.325 where: short stacking energy: -491.426 Base-Backbone interact. energy: -2.828 local terms energy: -559.873893 where: bonds (distance) C4'-P energy: -122.032 bonds (distance) P-C4' energy: -138.444 flat angles C4'-P-C4' energy: -123.446 flat angles P-C4'-P energy: -83.746 tors. eta vs tors. theta energy: -92.206 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: 1 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -1292.320648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.320648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.320648 (E_RNA) where: Base-Base interactions energy: -790.567 where: short stacking energy: -350.274 Base-Backbone interact. energy: 2.496 local terms energy: -504.249614 where: bonds (distance) C4'-P energy: -145.665 bonds (distance) P-C4' energy: -133.773 flat angles C4'-P-C4' energy: -127.069 flat angles P-C4'-P energy: -69.385 tors. eta vs tors. theta energy: -28.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -867.725249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.725249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.725249 (E_RNA) where: Base-Base interactions energy: -422.841 where: short stacking energy: -245.157 Base-Backbone interact. energy: 1.161 local terms energy: -446.045095 where: bonds (distance) C4'-P energy: -132.083 bonds (distance) P-C4' energy: -131.083 flat angles C4'-P-C4' energy: -118.137 flat angles P-C4'-P energy: -61.950 tors. eta vs tors. theta energy: -2.792 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: 1, replica: 6 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -2918.538030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.538030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.538030 (E_RNA) where: Base-Base interactions energy: -2022.800 where: short stacking energy: -865.299 Base-Backbone interact. energy: -3.361 local terms energy: -892.376960 where: bonds (distance) C4'-P energy: -152.108 bonds (distance) P-C4' energy: -182.390 flat angles C4'-P-C4' energy: -188.432 flat angles P-C4'-P energy: -123.802 tors. eta vs tors. theta energy: -245.645 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: 2, replica: 7 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2821.691706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.691706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.691706 (E_RNA) where: Base-Base interactions energy: -1935.669 where: short stacking energy: -858.489 Base-Backbone interact. energy: -4.770 local terms energy: -881.252849 where: bonds (distance) C4'-P energy: -155.559 bonds (distance) P-C4' energy: -154.429 flat angles C4'-P-C4' energy: -196.257 flat angles P-C4'-P energy: -135.016 tors. eta vs tors. theta energy: -239.992 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: 3, replica: 10 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -2736.072588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.072588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.072588 (E_RNA) where: Base-Base interactions energy: -1915.358 where: short stacking energy: -820.626 Base-Backbone interact. energy: 0.514 local terms energy: -821.228498 where: bonds (distance) C4'-P energy: -123.484 bonds (distance) P-C4' energy: -166.272 flat angles C4'-P-C4' energy: -182.649 flat angles P-C4'-P energy: -115.771 tors. eta vs tors. theta energy: -233.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -2546.156900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.156900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.156900 (E_RNA) where: Base-Base interactions energy: -1770.305 where: short stacking energy: -770.900 Base-Backbone interact. energy: -1.279 local terms energy: -774.572448 where: bonds (distance) C4'-P energy: -136.106 bonds (distance) P-C4' energy: -148.057 flat angles C4'-P-C4' energy: -178.473 flat angles P-C4'-P energy: -89.477 tors. eta vs tors. theta energy: -222.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -2417.647925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.647925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.647925 (E_RNA) where: Base-Base interactions energy: -1665.929 where: short stacking energy: -720.681 Base-Backbone interact. energy: -3.640 local terms energy: -748.079463 where: bonds (distance) C4'-P energy: -139.931 bonds (distance) P-C4' energy: -133.881 flat angles C4'-P-C4' energy: -172.154 flat angles P-C4'-P energy: -98.566 tors. eta vs tors. theta energy: -203.549 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: 6, replica: 5 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -2328.923632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.923632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.923632 (E_RNA) where: Base-Base interactions energy: -1617.821 where: short stacking energy: -658.506 Base-Backbone interact. energy: -1.164 local terms energy: -709.938617 where: bonds (distance) C4'-P energy: -131.735 bonds (distance) P-C4' energy: -156.075 flat angles C4'-P-C4' energy: -159.971 flat angles P-C4'-P energy: -84.685 tors. eta vs tors. theta energy: -177.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1854.808162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.808162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.808162 (E_RNA) where: Base-Base interactions energy: -1217.269 where: short stacking energy: -530.794 Base-Backbone interact. energy: 0.086 local terms energy: -637.625264 where: bonds (distance) C4'-P energy: -136.875 bonds (distance) P-C4' energy: -144.275 flat angles C4'-P-C4' energy: -160.470 flat angles P-C4'-P energy: -91.999 tors. eta vs tors. theta energy: -104.007 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: 2 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1675.811010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.811010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.811010 (E_RNA) where: Base-Base interactions energy: -1094.278 where: short stacking energy: -481.317 Base-Backbone interact. energy: -1.916 local terms energy: -579.617002 where: bonds (distance) C4'-P energy: -130.227 bonds (distance) P-C4' energy: -139.525 flat angles C4'-P-C4' energy: -138.033 flat angles P-C4'-P energy: -71.944 tors. eta vs tors. theta energy: -99.889 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: 1 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -1194.821197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.821197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.821197 (E_RNA) where: Base-Base interactions energy: -671.444 where: short stacking energy: -320.688 Base-Backbone interact. energy: 0.904 local terms energy: -524.281642 where: bonds (distance) C4'-P energy: -114.936 bonds (distance) P-C4' energy: -143.599 flat angles C4'-P-C4' energy: -155.329 flat angles P-C4'-P energy: -82.614 tors. eta vs tors. theta energy: -27.803 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: 10, replica: 3 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -912.660774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.660774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.660774 (E_RNA) where: Base-Base interactions energy: -459.040 where: short stacking energy: -234.349 Base-Backbone interact. energy: -0.795 local terms energy: -452.825615 where: bonds (distance) C4'-P energy: -122.155 bonds (distance) P-C4' energy: -136.461 flat angles C4'-P-C4' energy: -128.705 flat angles P-C4'-P energy: -66.771 tors. eta vs tors. theta energy: 1.266 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: 6 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -2925.080313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.080313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.080313 (E_RNA) where: Base-Base interactions energy: -2033.242 where: short stacking energy: -857.206 Base-Backbone interact. energy: -6.341 local terms energy: -885.497530 where: bonds (distance) C4'-P energy: -173.136 bonds (distance) P-C4' energy: -143.595 flat angles C4'-P-C4' energy: -179.934 flat angles P-C4'-P energy: -130.744 tors. eta vs tors. theta energy: -258.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2836.872850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.872850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.872850 (E_RNA) where: Base-Base interactions energy: -1966.047 where: short stacking energy: -865.399 Base-Backbone interact. energy: -1.360 local terms energy: -869.466028 where: bonds (distance) C4'-P energy: -162.521 bonds (distance) P-C4' energy: -160.777 flat angles C4'-P-C4' energy: -179.799 flat angles P-C4'-P energy: -130.303 tors. eta vs tors. theta energy: -236.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2711.272995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.272995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.272995 (E_RNA) where: Base-Base interactions energy: -1895.794 where: short stacking energy: -778.482 Base-Backbone interact. energy: 1.670 local terms energy: -817.148644 where: bonds (distance) C4'-P energy: -155.749 bonds (distance) P-C4' energy: -146.845 flat angles C4'-P-C4' energy: -180.197 flat angles P-C4'-P energy: -118.805 tors. eta vs tors. theta energy: -215.553 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: 8 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -2554.220498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.220498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.220498 (E_RNA) where: Base-Base interactions energy: -1747.939 where: short stacking energy: -753.869 Base-Backbone interact. energy: -4.164 local terms energy: -802.118289 where: bonds (distance) C4'-P energy: -150.850 bonds (distance) P-C4' energy: -159.529 flat angles C4'-P-C4' energy: -172.667 flat angles P-C4'-P energy: -100.431 tors. eta vs tors. theta energy: -218.642 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: 5, replica: 4 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -2377.245593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.245593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.245593 (E_RNA) where: Base-Base interactions energy: -1598.185 where: short stacking energy: -692.834 Base-Backbone interact. energy: -3.409 local terms energy: -775.651352 where: bonds (distance) C4'-P energy: -133.072 bonds (distance) P-C4' energy: -172.707 flat angles C4'-P-C4' energy: -185.781 flat angles P-C4'-P energy: -98.129 tors. eta vs tors. theta energy: -185.962 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: 5 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -2368.632299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.632299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.632299 (E_RNA) where: Base-Base interactions energy: -1672.592 where: short stacking energy: -707.037 Base-Backbone interact. energy: 4.046 local terms energy: -700.086563 where: bonds (distance) C4'-P energy: -122.071 bonds (distance) P-C4' energy: -116.037 flat angles C4'-P-C4' energy: -161.661 flat angles P-C4'-P energy: -106.033 tors. eta vs tors. theta energy: -194.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1893.004945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.004945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.004945 (E_RNA) where: Base-Base interactions energy: -1236.928 where: short stacking energy: -561.640 Base-Backbone interact. energy: -3.110 local terms energy: -652.966801 where: bonds (distance) C4'-P energy: -119.013 bonds (distance) P-C4' energy: -133.474 flat angles C4'-P-C4' energy: -153.437 flat angles P-C4'-P energy: -104.552 tors. eta vs tors. theta energy: -142.490 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: 2 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1651.848025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.848025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.848025 (E_RNA) where: Base-Base interactions energy: -1059.871 where: short stacking energy: -471.992 Base-Backbone interact. energy: -1.196 local terms energy: -590.780564 where: bonds (distance) C4'-P energy: -133.237 bonds (distance) P-C4' energy: -149.369 flat angles C4'-P-C4' energy: -140.842 flat angles P-C4'-P energy: -71.986 tors. eta vs tors. theta energy: -95.347 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: 9, replica: 1 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -1203.770489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.770489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.770489 (E_RNA) where: Base-Base interactions energy: -689.493 where: short stacking energy: -347.103 Base-Backbone interact. energy: 3.265 local terms energy: -517.542500 where: bonds (distance) C4'-P energy: -127.924 bonds (distance) P-C4' energy: -130.474 flat angles C4'-P-C4' energy: -124.349 flat angles P-C4'-P energy: -88.546 tors. eta vs tors. theta energy: -46.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -949.803235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.803235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.803235 (E_RNA) where: Base-Base interactions energy: -514.527 where: short stacking energy: -248.450 Base-Backbone interact. energy: 0.169 local terms energy: -435.445965 where: bonds (distance) C4'-P energy: -122.513 bonds (distance) P-C4' energy: -159.601 flat angles C4'-P-C4' energy: -107.913 flat angles P-C4'-P energy: -53.210 tors. eta vs tors. theta energy: 7.791 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: 1, replica: 6 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -2935.790253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.790253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.790253 (E_RNA) where: Base-Base interactions energy: -2041.600 where: short stacking energy: -887.826 Base-Backbone interact. energy: -3.195 local terms energy: -890.994664 where: bonds (distance) C4'-P energy: -160.173 bonds (distance) P-C4' energy: -146.517 flat angles C4'-P-C4' energy: -177.829 flat angles P-C4'-P energy: -138.348 tors. eta vs tors. theta energy: -268.129 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: 2, replica: 7 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2799.081077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.081077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.081077 (E_RNA) where: Base-Base interactions energy: -1938.187 where: short stacking energy: -848.866 Base-Backbone interact. energy: -1.754 local terms energy: -859.140570 where: bonds (distance) C4'-P energy: -167.546 bonds (distance) P-C4' energy: -155.523 flat angles C4'-P-C4' energy: -178.287 flat angles P-C4'-P energy: -118.763 tors. eta vs tors. theta energy: -239.022 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: 3, replica: 10 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -2688.055630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.055630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.055630 (E_RNA) where: Base-Base interactions energy: -1887.925 where: short stacking energy: -789.727 Base-Backbone interact. energy: -1.762 local terms energy: -798.368584 where: bonds (distance) C4'-P energy: -147.007 bonds (distance) P-C4' energy: -150.692 flat angles C4'-P-C4' energy: -158.296 flat angles P-C4'-P energy: -116.145 tors. eta vs tors. theta energy: -226.228 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: 8 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -2603.153448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.153448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.153448 (E_RNA) where: Base-Base interactions energy: -1774.472 where: short stacking energy: -768.309 Base-Backbone interact. energy: -1.644 local terms energy: -827.037237 where: bonds (distance) C4'-P energy: -161.485 bonds (distance) P-C4' energy: -155.409 flat angles C4'-P-C4' energy: -168.605 flat angles P-C4'-P energy: -119.047 tors. eta vs tors. theta energy: -222.491 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: 4 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -2394.309179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.309179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.309179 (E_RNA) where: Base-Base interactions energy: -1662.026 where: short stacking energy: -725.827 Base-Backbone interact. energy: 1.187 local terms energy: -733.470478 where: bonds (distance) C4'-P energy: -144.707 bonds (distance) P-C4' energy: -147.399 flat angles C4'-P-C4' energy: -166.488 flat angles P-C4'-P energy: -93.957 tors. eta vs tors. theta energy: -180.920 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: 5 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -2408.497728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.497728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.497728 (E_RNA) where: Base-Base interactions energy: -1670.177 where: short stacking energy: -720.667 Base-Backbone interact. energy: -5.345 local terms energy: -732.976535 where: bonds (distance) C4'-P energy: -144.537 bonds (distance) P-C4' energy: -146.674 flat angles C4'-P-C4' energy: -154.047 flat angles P-C4'-P energy: -92.017 tors. eta vs tors. theta energy: -195.702 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: 9 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1866.919089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.919089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.919089 (E_RNA) where: Base-Base interactions energy: -1239.062 where: short stacking energy: -561.166 Base-Backbone interact. energy: -2.222 local terms energy: -625.634214 where: bonds (distance) C4'-P energy: -123.947 bonds (distance) P-C4' energy: -143.605 flat angles C4'-P-C4' energy: -143.830 flat angles P-C4'-P energy: -101.993 tors. eta vs tors. theta energy: -112.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1593.240926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.240926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.240926 (E_RNA) where: Base-Base interactions energy: -1035.494 where: short stacking energy: -468.534 Base-Backbone interact. energy: 2.006 local terms energy: -559.752392 where: bonds (distance) C4'-P energy: -122.653 bonds (distance) P-C4' energy: -114.481 flat angles C4'-P-C4' energy: -145.640 flat angles P-C4'-P energy: -82.668 tors. eta vs tors. theta energy: -94.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -1157.912299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.912299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.912299 (E_RNA) where: Base-Base interactions energy: -699.259 where: short stacking energy: -359.640 Base-Backbone interact. energy: 0.536 local terms energy: -459.189655 where: bonds (distance) C4'-P energy: -128.381 bonds (distance) P-C4' energy: -119.566 flat angles C4'-P-C4' energy: -107.587 flat angles P-C4'-P energy: -68.563 tors. eta vs tors. theta energy: -35.093 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: 3 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -944.982571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.982571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.982571 (E_RNA) where: Base-Base interactions energy: -483.315 where: short stacking energy: -287.401 Base-Backbone interact. energy: 2.505 local terms energy: -464.172555 where: bonds (distance) C4'-P energy: -116.682 bonds (distance) P-C4' energy: -157.669 flat angles C4'-P-C4' energy: -139.089 flat angles P-C4'-P energy: -52.820 tors. eta vs tors. theta energy: 2.088 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: 1, replica: 6 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -2910.771268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.771268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.771268 (E_RNA) where: Base-Base interactions energy: -2008.823 where: short stacking energy: -867.982 Base-Backbone interact. energy: -0.733 local terms energy: -901.215308 where: bonds (distance) C4'-P energy: -176.098 bonds (distance) P-C4' energy: -160.912 flat angles C4'-P-C4' energy: -184.239 flat angles P-C4'-P energy: -123.029 tors. eta vs tors. theta energy: -256.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -2834.423942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.423942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.423942 (E_RNA) where: Base-Base interactions energy: -1948.052 where: short stacking energy: -849.193 Base-Backbone interact. energy: -4.635 local terms energy: -881.736962 where: bonds (distance) C4'-P energy: -157.826 bonds (distance) P-C4' energy: -159.363 flat angles C4'-P-C4' energy: -175.512 flat angles P-C4'-P energy: -139.007 tors. eta vs tors. theta energy: -250.029 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: 3, replica: 10 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2731.426779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.426779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.426779 (E_RNA) where: Base-Base interactions energy: -1879.484 where: short stacking energy: -797.446 Base-Backbone interact. energy: -3.599 local terms energy: -848.343586 where: bonds (distance) C4'-P energy: -162.423 bonds (distance) P-C4' energy: -147.397 flat angles C4'-P-C4' energy: -178.939 flat angles P-C4'-P energy: -123.185 tors. eta vs tors. theta energy: -236.399 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: 8 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -2519.237853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.237853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.237853 (E_RNA) where: Base-Base interactions energy: -1726.159 where: short stacking energy: -757.856 Base-Backbone interact. energy: 4.026 local terms energy: -797.104959 where: bonds (distance) C4'-P energy: -150.525 bonds (distance) P-C4' energy: -150.026 flat angles C4'-P-C4' energy: -162.555 flat angles P-C4'-P energy: -118.044 tors. eta vs tors. theta energy: -215.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -2350.074960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.074960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.074960 (E_RNA) where: Base-Base interactions energy: -1617.922 where: short stacking energy: -678.338 Base-Backbone interact. energy: -2.602 local terms energy: -729.550276 where: bonds (distance) C4'-P energy: -133.170 bonds (distance) P-C4' energy: -147.955 flat angles C4'-P-C4' energy: -159.156 flat angles P-C4'-P energy: -109.415 tors. eta vs tors. theta energy: -179.855 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: 6, replica: 5 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -2386.582651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.582651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.582651 (E_RNA) where: Base-Base interactions energy: -1680.268 where: short stacking energy: -700.322 Base-Backbone interact. energy: -4.123 local terms energy: -702.191411 where: bonds (distance) C4'-P energy: -138.545 bonds (distance) P-C4' energy: -138.033 flat angles C4'-P-C4' energy: -141.718 flat angles P-C4'-P energy: -94.025 tors. eta vs tors. theta energy: -189.870 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: 7, replica: 9 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1888.432397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.432397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.432397 (E_RNA) where: Base-Base interactions energy: -1244.861 where: short stacking energy: -574.005 Base-Backbone interact. energy: -2.707 local terms energy: -640.863629 where: bonds (distance) C4'-P energy: -133.686 bonds (distance) P-C4' energy: -135.228 flat angles C4'-P-C4' energy: -135.434 flat angles P-C4'-P energy: -108.349 tors. eta vs tors. theta energy: -128.166 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: 2 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1562.889882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.889882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.889882 (E_RNA) where: Base-Base interactions energy: -1006.039 where: short stacking energy: -462.217 Base-Backbone interact. energy: -1.864 local terms energy: -554.986698 where: bonds (distance) C4'-P energy: -112.425 bonds (distance) P-C4' energy: -123.644 flat angles C4'-P-C4' energy: -132.978 flat angles P-C4'-P energy: -96.928 tors. eta vs tors. theta energy: -89.012 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: 1 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -1273.550857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.550857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.550857 (E_RNA) where: Base-Base interactions energy: -773.907 where: short stacking energy: -376.411 Base-Backbone interact. energy: 2.949 local terms energy: -502.592260 where: bonds (distance) C4'-P energy: -115.323 bonds (distance) P-C4' energy: -146.586 flat angles C4'-P-C4' energy: -131.487 flat angles P-C4'-P energy: -75.407 tors. eta vs tors. theta energy: -33.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -931.474733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.474733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.474733 (E_RNA) where: Base-Base interactions energy: -502.495 where: short stacking energy: -288.818 Base-Backbone interact. energy: 1.936 local terms energy: -430.915145 where: bonds (distance) C4'-P energy: -112.160 bonds (distance) P-C4' energy: -138.003 flat angles C4'-P-C4' energy: -110.747 flat angles P-C4'-P energy: -60.889 tors. eta vs tors. theta energy: -9.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -2925.980100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.980100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.980100 (E_RNA) where: Base-Base interactions energy: -2030.722 where: short stacking energy: -870.023 Base-Backbone interact. energy: 1.065 local terms energy: -896.323531 where: bonds (distance) C4'-P energy: -159.423 bonds (distance) P-C4' energy: -164.621 flat angles C4'-P-C4' energy: -200.921 flat angles P-C4'-P energy: -117.511 tors. eta vs tors. theta energy: -253.848 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: 2, replica: 7 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -2840.439780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.439780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.439780 (E_RNA) where: Base-Base interactions energy: -1965.775 where: short stacking energy: -864.922 Base-Backbone interact. energy: -5.167 local terms energy: -869.497861 where: bonds (distance) C4'-P energy: -171.840 bonds (distance) P-C4' energy: -155.214 flat angles C4'-P-C4' energy: -182.501 flat angles P-C4'-P energy: -107.491 tors. eta vs tors. theta energy: -252.451 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: 10 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -2742.590930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.590930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.590930 (E_RNA) where: Base-Base interactions energy: -1923.524 where: short stacking energy: -832.082 Base-Backbone interact. energy: -1.843 local terms energy: -817.223279 where: bonds (distance) C4'-P energy: -149.335 bonds (distance) P-C4' energy: -146.928 flat angles C4'-P-C4' energy: -161.412 flat angles P-C4'-P energy: -120.874 tors. eta vs tors. theta energy: -238.675 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: 8 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -2544.234208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.234208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.234208 (E_RNA) where: Base-Base interactions energy: -1731.997 where: short stacking energy: -726.515 Base-Backbone interact. energy: 1.005 local terms energy: -813.241790 where: bonds (distance) C4'-P energy: -140.606 bonds (distance) P-C4' energy: -151.243 flat angles C4'-P-C4' energy: -172.322 flat angles P-C4'-P energy: -124.582 tors. eta vs tors. theta energy: -224.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -2388.776348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.776348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.776348 (E_RNA) where: Base-Base interactions energy: -1679.879 where: short stacking energy: -705.642 Base-Backbone interact. energy: 5.707 local terms energy: -714.604338 where: bonds (distance) C4'-P energy: -125.803 bonds (distance) P-C4' energy: -143.117 flat angles C4'-P-C4' energy: -174.170 flat angles P-C4'-P energy: -88.882 tors. eta vs tors. theta energy: -182.632 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: 5 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -2360.964045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.964045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.964045 (E_RNA) where: Base-Base interactions energy: -1624.219 where: short stacking energy: -697.850 Base-Backbone interact. energy: -0.457 local terms energy: -736.287735 where: bonds (distance) C4'-P energy: -132.125 bonds (distance) P-C4' energy: -154.554 flat angles C4'-P-C4' energy: -157.780 flat angles P-C4'-P energy: -102.602 tors. eta vs tors. theta energy: -189.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1889.348779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.348779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.348779 (E_RNA) where: Base-Base interactions energy: -1269.075 where: short stacking energy: -543.689 Base-Backbone interact. energy: -2.310 local terms energy: -617.964155 where: bonds (distance) C4'-P energy: -120.575 bonds (distance) P-C4' energy: -138.134 flat angles C4'-P-C4' energy: -136.824 flat angles P-C4'-P energy: -107.893 tors. eta vs tors. theta energy: -114.538 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: 2 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1635.867518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.867518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.867518 (E_RNA) where: Base-Base interactions energy: -1080.524 where: short stacking energy: -499.444 Base-Backbone interact. energy: 3.477 local terms energy: -558.820657 where: bonds (distance) C4'-P energy: -110.743 bonds (distance) P-C4' energy: -111.073 flat angles C4'-P-C4' energy: -143.476 flat angles P-C4'-P energy: -89.856 tors. eta vs tors. theta energy: -103.674 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: 9, replica: 1 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -1341.213190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.213190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.213190 (E_RNA) where: Base-Base interactions energy: -804.528 where: short stacking energy: -384.286 Base-Backbone interact. energy: 5.429 local terms energy: -542.113832 where: bonds (distance) C4'-P energy: -118.493 bonds (distance) P-C4' energy: -125.894 flat angles C4'-P-C4' energy: -156.437 flat angles P-C4'-P energy: -75.915 tors. eta vs tors. theta energy: -65.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -1047.176127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.176127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.176127 (E_RNA) where: Base-Base interactions energy: -599.169 where: short stacking energy: -312.447 Base-Backbone interact. energy: 8.584 local terms energy: -456.590412 where: bonds (distance) C4'-P energy: -122.640 bonds (distance) P-C4' energy: -117.369 flat angles C4'-P-C4' energy: -111.773 flat angles P-C4'-P energy: -68.673 tors. eta vs tors. theta energy: -36.134 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: 6 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -2955.122982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.122982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.122982 (E_RNA) where: Base-Base interactions energy: -2054.943 where: short stacking energy: -876.951 Base-Backbone interact. energy: -0.883 local terms energy: -899.296444 where: bonds (distance) C4'-P energy: -164.755 bonds (distance) P-C4' energy: -155.998 flat angles C4'-P-C4' energy: -183.299 flat angles P-C4'-P energy: -128.160 tors. eta vs tors. theta energy: -267.084 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: 2, replica: 7 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -2824.215053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.215053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.215053 (E_RNA) where: Base-Base interactions energy: -1993.487 where: short stacking energy: -875.438 Base-Backbone interact. energy: -1.423 local terms energy: -829.305511 where: bonds (distance) C4'-P energy: -137.355 bonds (distance) P-C4' energy: -147.436 flat angles C4'-P-C4' energy: -185.917 flat angles P-C4'-P energy: -110.866 tors. eta vs tors. theta energy: -247.732 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: 10 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2743.655324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.655324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.655324 (E_RNA) where: Base-Base interactions energy: -1901.577 where: short stacking energy: -806.037 Base-Backbone interact. energy: -5.006 local terms energy: -837.072628 where: bonds (distance) C4'-P energy: -137.701 bonds (distance) P-C4' energy: -161.258 flat angles C4'-P-C4' energy: -181.672 flat angles P-C4'-P energy: -126.980 tors. eta vs tors. theta energy: -229.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -2541.429913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.429913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.429913 (E_RNA) where: Base-Base interactions energy: -1785.135 where: short stacking energy: -746.104 Base-Backbone interact. energy: -1.186 local terms energy: -755.108692 where: bonds (distance) C4'-P energy: -134.747 bonds (distance) P-C4' energy: -151.856 flat angles C4'-P-C4' energy: -163.117 flat angles P-C4'-P energy: -109.564 tors. eta vs tors. theta energy: -195.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -2418.457556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.457556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.457556 (E_RNA) where: Base-Base interactions energy: -1670.444 where: short stacking energy: -756.476 Base-Backbone interact. energy: -5.576 local terms energy: -742.437496 where: bonds (distance) C4'-P energy: -126.367 bonds (distance) P-C4' energy: -137.018 flat angles C4'-P-C4' energy: -158.806 flat angles P-C4'-P energy: -108.150 tors. eta vs tors. theta energy: -212.097 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: 257 Temperature: 1.150000 Total energy: -2376.013759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.013759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.013759 (E_RNA) where: Base-Base interactions energy: -1667.423 where: short stacking energy: -693.399 Base-Backbone interact. energy: -1.411 local terms energy: -707.180223 where: bonds (distance) C4'-P energy: -135.699 bonds (distance) P-C4' energy: -135.109 flat angles C4'-P-C4' energy: -159.434 flat angles P-C4'-P energy: -97.010 tors. eta vs tors. theta energy: -179.929 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: 7, replica: 9 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1877.588163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.588163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.588163 (E_RNA) where: Base-Base interactions energy: -1269.225 where: short stacking energy: -556.993 Base-Backbone interact. energy: -1.563 local terms energy: -606.800310 where: bonds (distance) C4'-P energy: -124.030 bonds (distance) P-C4' energy: -141.321 flat angles C4'-P-C4' energy: -148.132 flat angles P-C4'-P energy: -77.881 tors. eta vs tors. theta energy: -115.437 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: 2 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1661.794279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.794279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.794279 (E_RNA) where: Base-Base interactions energy: -1098.054 where: short stacking energy: -483.772 Base-Backbone interact. energy: -1.967 local terms energy: -561.773509 where: bonds (distance) C4'-P energy: -119.140 bonds (distance) P-C4' energy: -120.917 flat angles C4'-P-C4' energy: -137.186 flat angles P-C4'-P energy: -80.605 tors. eta vs tors. theta energy: -103.926 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: 9, replica: 1 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -1305.960299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.960299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.960299 (E_RNA) where: Base-Base interactions energy: -796.303 where: short stacking energy: -366.522 Base-Backbone interact. energy: 2.215 local terms energy: -511.872352 where: bonds (distance) C4'-P energy: -117.779 bonds (distance) P-C4' energy: -139.184 flat angles C4'-P-C4' energy: -122.843 flat angles P-C4'-P energy: -69.074 tors. eta vs tors. theta energy: -62.992 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: 3 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -1084.041237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.041237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.041237 (E_RNA) where: Base-Base interactions energy: -621.952 where: short stacking energy: -323.219 Base-Backbone interact. energy: -3.497 local terms energy: -458.592819 where: bonds (distance) C4'-P energy: -128.582 bonds (distance) P-C4' energy: -133.707 flat angles C4'-P-C4' energy: -102.724 flat angles P-C4'-P energy: -66.765 tors. eta vs tors. theta energy: -26.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -2940.421062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.421062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.421062 (E_RNA) where: Base-Base interactions energy: -2044.826 where: short stacking energy: -876.578 Base-Backbone interact. energy: -1.575 local terms energy: -894.020920 where: bonds (distance) C4'-P energy: -163.398 bonds (distance) P-C4' energy: -157.707 flat angles C4'-P-C4' energy: -190.008 flat angles P-C4'-P energy: -119.001 tors. eta vs tors. theta energy: -263.906 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: 7 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2820.681740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.681740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.681740 (E_RNA) where: Base-Base interactions energy: -1959.570 where: short stacking energy: -872.726 Base-Backbone interact. energy: -3.919 local terms energy: -857.191990 where: bonds (distance) C4'-P energy: -154.559 bonds (distance) P-C4' energy: -157.117 flat angles C4'-P-C4' energy: -178.121 flat angles P-C4'-P energy: -116.638 tors. eta vs tors. theta energy: -250.757 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: 10 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2717.991372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.991372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.991372 (E_RNA) where: Base-Base interactions energy: -1914.227 where: short stacking energy: -792.824 Base-Backbone interact. energy: -5.223 local terms energy: -798.541474 where: bonds (distance) C4'-P energy: -135.595 bonds (distance) P-C4' energy: -147.690 flat angles C4'-P-C4' energy: -168.093 flat angles P-C4'-P energy: -117.385 tors. eta vs tors. theta energy: -229.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -2550.451237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.451237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.451237 (E_RNA) where: Base-Base interactions energy: -1739.255 where: short stacking energy: -751.181 Base-Backbone interact. energy: -3.004 local terms energy: -808.192903 where: bonds (distance) C4'-P energy: -158.497 bonds (distance) P-C4' energy: -158.440 flat angles C4'-P-C4' energy: -172.182 flat angles P-C4'-P energy: -116.645 tors. eta vs tors. theta energy: -202.429 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: 5, replica: 8 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -2405.755882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.755882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.755882 (E_RNA) where: Base-Base interactions energy: -1637.674 where: short stacking energy: -722.605 Base-Backbone interact. energy: -2.444 local terms energy: -765.637635 where: bonds (distance) C4'-P energy: -141.042 bonds (distance) P-C4' energy: -144.504 flat angles C4'-P-C4' energy: -158.469 flat angles P-C4'-P energy: -114.382 tors. eta vs tors. theta energy: -207.240 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: 6, replica: 5 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -2408.259129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.259129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.259129 (E_RNA) where: Base-Base interactions energy: -1680.193 where: short stacking energy: -714.923 Base-Backbone interact. energy: -3.016 local terms energy: -725.050110 where: bonds (distance) C4'-P energy: -140.458 bonds (distance) P-C4' energy: -127.056 flat angles C4'-P-C4' energy: -180.598 flat angles P-C4'-P energy: -86.180 tors. eta vs tors. theta energy: -190.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1899.488359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.488359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.488359 (E_RNA) where: Base-Base interactions energy: -1289.804 where: short stacking energy: -548.423 Base-Backbone interact. energy: 4.150 local terms energy: -613.834414 where: bonds (distance) C4'-P energy: -137.734 bonds (distance) P-C4' energy: -135.696 flat angles C4'-P-C4' energy: -132.720 flat angles P-C4'-P energy: -98.087 tors. eta vs tors. theta energy: -109.598 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: 2 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1756.786894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.786894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.786894 (E_RNA) where: Base-Base interactions energy: -1187.855 where: short stacking energy: -509.413 Base-Backbone interact. energy: -2.349 local terms energy: -566.583255 where: bonds (distance) C4'-P energy: -120.202 bonds (distance) P-C4' energy: -144.805 flat angles C4'-P-C4' energy: -129.145 flat angles P-C4'-P energy: -54.362 tors. eta vs tors. theta energy: -118.069 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: 9, replica: 1 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -1296.575003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.575003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.575003 (E_RNA) where: Base-Base interactions energy: -804.708 where: short stacking energy: -377.515 Base-Backbone interact. energy: 1.476 local terms energy: -493.342286 where: bonds (distance) C4'-P energy: -130.521 bonds (distance) P-C4' energy: -135.776 flat angles C4'-P-C4' energy: -117.676 flat angles P-C4'-P energy: -66.439 tors. eta vs tors. theta energy: -42.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -1140.748234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.748234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.748234 (E_RNA) where: Base-Base interactions energy: -674.542 where: short stacking energy: -338.463 Base-Backbone interact. energy: 2.064 local terms energy: -468.269942 where: bonds (distance) C4'-P energy: -129.950 bonds (distance) P-C4' energy: -126.063 flat angles C4'-P-C4' energy: -114.100 flat angles P-C4'-P energy: -66.120 tors. eta vs tors. theta energy: -32.036 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: 6 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -2920.196851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.196851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.196851 (E_RNA) where: Base-Base interactions energy: -1987.682 where: short stacking energy: -874.976 Base-Backbone interact. energy: -3.231 local terms energy: -929.283996 where: bonds (distance) C4'-P energy: -178.288 bonds (distance) P-C4' energy: -172.921 flat angles C4'-P-C4' energy: -194.492 flat angles P-C4'-P energy: -129.486 tors. eta vs tors. theta energy: -254.097 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: 2, replica: 7 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -2837.539977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.539977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.539977 (E_RNA) where: Base-Base interactions energy: -1959.960 where: short stacking energy: -850.975 Base-Backbone interact. energy: -1.812 local terms energy: -875.768821 where: bonds (distance) C4'-P energy: -158.417 bonds (distance) P-C4' energy: -164.740 flat angles C4'-P-C4' energy: -182.899 flat angles P-C4'-P energy: -120.462 tors. eta vs tors. theta energy: -249.250 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: 10 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2709.471686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.471686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.471686 (E_RNA) where: Base-Base interactions energy: -1888.048 where: short stacking energy: -825.539 Base-Backbone interact. energy: -1.333 local terms energy: -820.090636 where: bonds (distance) C4'-P energy: -157.407 bonds (distance) P-C4' energy: -134.655 flat angles C4'-P-C4' energy: -177.664 flat angles P-C4'-P energy: -122.825 tors. eta vs tors. theta energy: -227.541 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: 4, replica: 4 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -2571.861288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.861288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.861288 (E_RNA) where: Base-Base interactions energy: -1781.785 where: short stacking energy: -754.980 Base-Backbone interact. energy: -4.218 local terms energy: -785.858341 where: bonds (distance) C4'-P energy: -135.480 bonds (distance) P-C4' energy: -159.896 flat angles C4'-P-C4' energy: -175.976 flat angles P-C4'-P energy: -103.117 tors. eta vs tors. theta energy: -211.389 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: 5, replica: 8 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -2423.428034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.428034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.428034 (E_RNA) where: Base-Base interactions energy: -1651.078 where: short stacking energy: -745.444 Base-Backbone interact. energy: -3.207 local terms energy: -769.143220 where: bonds (distance) C4'-P energy: -148.106 bonds (distance) P-C4' energy: -135.832 flat angles C4'-P-C4' energy: -173.045 flat angles P-C4'-P energy: -117.923 tors. eta vs tors. theta energy: -194.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -2369.945960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.945960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.945960 (E_RNA) where: Base-Base interactions energy: -1647.358 where: short stacking energy: -677.882 Base-Backbone interact. energy: -0.633 local terms energy: -721.955495 where: bonds (distance) C4'-P energy: -133.708 bonds (distance) P-C4' energy: -153.298 flat angles C4'-P-C4' energy: -157.246 flat angles P-C4'-P energy: -98.613 tors. eta vs tors. theta energy: -179.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1913.740479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.740479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.740479 (E_RNA) where: Base-Base interactions energy: -1247.524 where: short stacking energy: -525.020 Base-Backbone interact. energy: -1.694 local terms energy: -664.522561 where: bonds (distance) C4'-P energy: -137.089 bonds (distance) P-C4' energy: -139.150 flat angles C4'-P-C4' energy: -166.588 flat angles P-C4'-P energy: -107.539 tors. eta vs tors. theta energy: -114.155 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: 8, replica: 2 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1738.524737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.524737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.524737 (E_RNA) where: Base-Base interactions energy: -1164.338 where: short stacking energy: -516.366 Base-Backbone interact. energy: 2.255 local terms energy: -576.441927 where: bonds (distance) C4'-P energy: -131.748 bonds (distance) P-C4' energy: -131.292 flat angles C4'-P-C4' energy: -140.211 flat angles P-C4'-P energy: -74.054 tors. eta vs tors. theta energy: -99.137 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: 1 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -1348.014862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.014862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.014862 (E_RNA) where: Base-Base interactions energy: -846.185 where: short stacking energy: -413.492 Base-Backbone interact. energy: -0.143 local terms energy: -501.687452 where: bonds (distance) C4'-P energy: -132.679 bonds (distance) P-C4' energy: -117.687 flat angles C4'-P-C4' energy: -96.652 flat angles P-C4'-P energy: -93.122 tors. eta vs tors. theta energy: -61.547 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: 10, replica: 3 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -1076.257991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.257991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.257991 (E_RNA) where: Base-Base interactions energy: -649.304 where: short stacking energy: -336.115 Base-Backbone interact. energy: -4.683 local terms energy: -422.270589 where: bonds (distance) C4'-P energy: -102.985 bonds (distance) P-C4' energy: -127.473 flat angles C4'-P-C4' energy: -124.940 flat angles P-C4'-P energy: -52.453 tors. eta vs tors. theta energy: -14.419 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: 1, replica: 6 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -2924.047124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.047124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.047124 (E_RNA) where: Base-Base interactions energy: -2028.461 where: short stacking energy: -887.962 Base-Backbone interact. energy: -3.679 local terms energy: -891.906472 where: bonds (distance) C4'-P energy: -166.136 bonds (distance) P-C4' energy: -159.969 flat angles C4'-P-C4' energy: -192.056 flat angles P-C4'-P energy: -114.602 tors. eta vs tors. theta energy: -259.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -2807.710459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.710459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.710459 (E_RNA) where: Base-Base interactions energy: -1921.456 where: short stacking energy: -834.866 Base-Backbone interact. energy: -1.032 local terms energy: -885.221739 where: bonds (distance) C4'-P energy: -161.560 bonds (distance) P-C4' energy: -155.852 flat angles C4'-P-C4' energy: -190.905 flat angles P-C4'-P energy: -124.364 tors. eta vs tors. theta energy: -252.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2773.432364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.432364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.432364 (E_RNA) where: Base-Base interactions energy: -1921.459 where: short stacking energy: -815.715 Base-Backbone interact. energy: 2.869 local terms energy: -854.842137 where: bonds (distance) C4'-P energy: -155.348 bonds (distance) P-C4' energy: -181.726 flat angles C4'-P-C4' energy: -185.974 flat angles P-C4'-P energy: -107.835 tors. eta vs tors. theta energy: -223.959 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: 4 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -2572.163556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.163556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.163556 (E_RNA) where: Base-Base interactions energy: -1761.013 where: short stacking energy: -748.134 Base-Backbone interact. energy: -1.655 local terms energy: -809.496146 where: bonds (distance) C4'-P energy: -148.865 bonds (distance) P-C4' energy: -161.803 flat angles C4'-P-C4' energy: -176.041 flat angles P-C4'-P energy: -111.434 tors. eta vs tors. theta energy: -211.354 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: 5 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -2430.332741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.332741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.332741 (E_RNA) where: Base-Base interactions energy: -1674.644 where: short stacking energy: -712.626 Base-Backbone interact. energy: -1.501 local terms energy: -754.187121 where: bonds (distance) C4'-P energy: -151.354 bonds (distance) P-C4' energy: -151.250 flat angles C4'-P-C4' energy: -154.431 flat angles P-C4'-P energy: -102.122 tors. eta vs tors. theta energy: -195.029 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: 6, replica: 8 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -2294.540137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.540137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.540137 (E_RNA) where: Base-Base interactions energy: -1573.182 where: short stacking energy: -700.685 Base-Backbone interact. energy: -3.039 local terms energy: -718.319188 where: bonds (distance) C4'-P energy: -131.965 bonds (distance) P-C4' energy: -136.139 flat angles C4'-P-C4' energy: -153.097 flat angles P-C4'-P energy: -101.082 tors. eta vs tors. theta energy: -196.036 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: 7, replica: 9 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1881.709690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.709690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.709690 (E_RNA) where: Base-Base interactions energy: -1277.482 where: short stacking energy: -567.158 Base-Backbone interact. energy: -3.120 local terms energy: -601.108118 where: bonds (distance) C4'-P energy: -135.515 bonds (distance) P-C4' energy: -127.500 flat angles C4'-P-C4' energy: -152.283 flat angles P-C4'-P energy: -67.958 tors. eta vs tors. theta energy: -117.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1726.086931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.086931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.086931 (E_RNA) where: Base-Base interactions energy: -1132.370 where: short stacking energy: -478.427 Base-Backbone interact. energy: -4.294 local terms energy: -589.422221 where: bonds (distance) C4'-P energy: -135.831 bonds (distance) P-C4' energy: -133.519 flat angles C4'-P-C4' energy: -138.805 flat angles P-C4'-P energy: -78.610 tors. eta vs tors. theta energy: -102.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -1270.474524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.474524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.474524 (E_RNA) where: Base-Base interactions energy: -774.935 where: short stacking energy: -373.121 Base-Backbone interact. energy: -0.730 local terms energy: -494.809368 where: bonds (distance) C4'-P energy: -130.385 bonds (distance) P-C4' energy: -128.592 flat angles C4'-P-C4' energy: -126.542 flat angles P-C4'-P energy: -74.569 tors. eta vs tors. theta energy: -34.722 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: 3 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -1071.397618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.397618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.397618 (E_RNA) where: Base-Base interactions energy: -607.431 where: short stacking energy: -314.774 Base-Backbone interact. energy: 3.861 local terms energy: -467.826932 where: bonds (distance) C4'-P energy: -127.729 bonds (distance) P-C4' energy: -123.653 flat angles C4'-P-C4' energy: -126.948 flat angles P-C4'-P energy: -76.171 tors. eta vs tors. theta energy: -13.327 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: 6 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -2931.971829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.971829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.971829 (E_RNA) where: Base-Base interactions energy: -2040.033 where: short stacking energy: -853.032 Base-Backbone interact. energy: -5.376 local terms energy: -886.563234 where: bonds (distance) C4'-P energy: -163.260 bonds (distance) P-C4' energy: -163.641 flat angles C4'-P-C4' energy: -175.186 flat angles P-C4'-P energy: -125.951 tors. eta vs tors. theta energy: -258.525 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: 7 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2791.789367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.789367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.789367 (E_RNA) where: Base-Base interactions energy: -1937.568 where: short stacking energy: -863.306 Base-Backbone interact. energy: -1.815 local terms energy: -852.405636 where: bonds (distance) C4'-P energy: -144.300 bonds (distance) P-C4' energy: -145.943 flat angles C4'-P-C4' energy: -190.817 flat angles P-C4'-P energy: -125.580 tors. eta vs tors. theta energy: -245.765 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: 3, replica: 10 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -2782.539871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.539871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.539871 (E_RNA) where: Base-Base interactions energy: -1924.673 where: short stacking energy: -836.023 Base-Backbone interact. energy: -5.317 local terms energy: -852.549988 where: bonds (distance) C4'-P energy: -151.546 bonds (distance) P-C4' energy: -160.356 flat angles C4'-P-C4' energy: -174.796 flat angles P-C4'-P energy: -114.291 tors. eta vs tors. theta energy: -251.561 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: 4, replica: 4 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -2565.482212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.482212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.482212 (E_RNA) where: Base-Base interactions energy: -1755.901 where: short stacking energy: -742.410 Base-Backbone interact. energy: -2.286 local terms energy: -807.295709 where: bonds (distance) C4'-P energy: -158.867 bonds (distance) P-C4' energy: -149.808 flat angles C4'-P-C4' energy: -180.024 flat angles P-C4'-P energy: -106.417 tors. eta vs tors. theta energy: -212.180 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: 261 Temperature: 1.100000 Total energy: -2432.896342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.896342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.896342 (E_RNA) where: Base-Base interactions energy: -1663.559 where: short stacking energy: -682.588 Base-Backbone interact. energy: -1.365 local terms energy: -767.972364 where: bonds (distance) C4'-P energy: -126.924 bonds (distance) P-C4' energy: -168.578 flat angles C4'-P-C4' energy: -168.512 flat angles P-C4'-P energy: -105.284 tors. eta vs tors. theta energy: -198.674 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: 8 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -2318.716697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.716697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.716697 (E_RNA) where: Base-Base interactions energy: -1593.664 where: short stacking energy: -693.045 Base-Backbone interact. energy: -4.442 local terms energy: -720.610578 where: bonds (distance) C4'-P energy: -155.578 bonds (distance) P-C4' energy: -130.961 flat angles C4'-P-C4' energy: -160.006 flat angles P-C4'-P energy: -94.925 tors. eta vs tors. theta energy: -179.141 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: 7, replica: 9 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1892.451753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.451753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.451753 (E_RNA) where: Base-Base interactions energy: -1253.149 where: short stacking energy: -587.575 Base-Backbone interact. energy: -4.038 local terms energy: -635.265324 where: bonds (distance) C4'-P energy: -128.212 bonds (distance) P-C4' energy: -156.580 flat angles C4'-P-C4' energy: -149.850 flat angles P-C4'-P energy: -75.372 tors. eta vs tors. theta energy: -125.251 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: 2 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1733.574841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.574841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.574841 (E_RNA) where: Base-Base interactions energy: -1151.347 where: short stacking energy: -477.226 Base-Backbone interact. energy: 2.409 local terms energy: -584.636352 where: bonds (distance) C4'-P energy: -135.240 bonds (distance) P-C4' energy: -132.553 flat angles C4'-P-C4' energy: -144.366 flat angles P-C4'-P energy: -73.651 tors. eta vs tors. theta energy: -98.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -1307.781148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.781148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.781148 (E_RNA) where: Base-Base interactions energy: -778.270 where: short stacking energy: -383.406 Base-Backbone interact. energy: -0.548 local terms energy: -528.963350 where: bonds (distance) C4'-P energy: -134.857 bonds (distance) P-C4' energy: -133.145 flat angles C4'-P-C4' energy: -136.447 flat angles P-C4'-P energy: -79.439 tors. eta vs tors. theta energy: -45.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -1008.727775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.727775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.727775 (E_RNA) where: Base-Base interactions energy: -552.786 where: short stacking energy: -311.867 Base-Backbone interact. energy: 10.700 local terms energy: -466.641853 where: bonds (distance) C4'-P energy: -127.211 bonds (distance) P-C4' energy: -147.301 flat angles C4'-P-C4' energy: -95.037 flat angles P-C4'-P energy: -69.989 tors. eta vs tors. theta energy: -27.105 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: 6 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -2908.237401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.237401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.237401 (E_RNA) where: Base-Base interactions energy: -2023.265 where: short stacking energy: -856.529 Base-Backbone interact. energy: -1.958 local terms energy: -883.014281 where: bonds (distance) C4'-P energy: -152.601 bonds (distance) P-C4' energy: -171.563 flat angles C4'-P-C4' energy: -181.281 flat angles P-C4'-P energy: -117.607 tors. eta vs tors. theta energy: -259.961 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: 2, replica: 7 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -2831.617967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.617967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.617967 (E_RNA) where: Base-Base interactions energy: -1961.765 where: short stacking energy: -861.964 Base-Backbone interact. energy: -0.972 local terms energy: -868.880395 where: bonds (distance) C4'-P energy: -159.468 bonds (distance) P-C4' energy: -160.150 flat angles C4'-P-C4' energy: -189.281 flat angles P-C4'-P energy: -117.260 tors. eta vs tors. theta energy: -242.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2747.224844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.224844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.224844 (E_RNA) where: Base-Base interactions energy: -1948.122 where: short stacking energy: -840.418 Base-Backbone interact. energy: 0.782 local terms energy: -799.884510 where: bonds (distance) C4'-P energy: -138.137 bonds (distance) P-C4' energy: -142.882 flat angles C4'-P-C4' energy: -174.944 flat angles P-C4'-P energy: -110.058 tors. eta vs tors. theta energy: -233.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -2506.780534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.780534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.780534 (E_RNA) where: Base-Base interactions energy: -1725.632 where: short stacking energy: -765.717 Base-Backbone interact. energy: 1.903 local terms energy: -783.051872 where: bonds (distance) C4'-P energy: -142.439 bonds (distance) P-C4' energy: -140.640 flat angles C4'-P-C4' energy: -182.672 flat angles P-C4'-P energy: -110.715 tors. eta vs tors. theta energy: -206.585 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: 5, replica: 5 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -2406.261296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.261296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.261296 (E_RNA) where: Base-Base interactions energy: -1695.517 where: short stacking energy: -700.243 Base-Backbone interact. energy: -0.488 local terms energy: -710.256472 where: bonds (distance) C4'-P energy: -127.451 bonds (distance) P-C4' energy: -152.385 flat angles C4'-P-C4' energy: -165.425 flat angles P-C4'-P energy: -91.461 tors. eta vs tors. theta energy: -173.534 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: 8 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -2279.640983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.640983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.640983 (E_RNA) where: Base-Base interactions energy: -1554.565 where: short stacking energy: -692.542 Base-Backbone interact. energy: -4.133 local terms energy: -720.942512 where: bonds (distance) C4'-P energy: -136.254 bonds (distance) P-C4' energy: -148.929 flat angles C4'-P-C4' energy: -152.429 flat angles P-C4'-P energy: -98.099 tors. eta vs tors. theta energy: -185.231 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: 9 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1961.692119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.692119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.692119 (E_RNA) where: Base-Base interactions energy: -1363.022 where: short stacking energy: -598.325 Base-Backbone interact. energy: 4.753 local terms energy: -603.422667 where: bonds (distance) C4'-P energy: -115.358 bonds (distance) P-C4' energy: -131.231 flat angles C4'-P-C4' energy: -138.449 flat angles P-C4'-P energy: -82.133 tors. eta vs tors. theta energy: -136.252 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: 2 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -1730.700622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.700622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.700622 (E_RNA) where: Base-Base interactions energy: -1134.565 where: short stacking energy: -485.178 Base-Backbone interact. energy: 0.270 local terms energy: -596.405913 where: bonds (distance) C4'-P energy: -128.437 bonds (distance) P-C4' energy: -124.020 flat angles C4'-P-C4' energy: -143.984 flat angles P-C4'-P energy: -96.165 tors. eta vs tors. theta energy: -103.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -1260.405852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.405852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.405852 (E_RNA) where: Base-Base interactions energy: -774.443 where: short stacking energy: -377.832 Base-Backbone interact. energy: -1.701 local terms energy: -484.261781 where: bonds (distance) C4'-P energy: -102.906 bonds (distance) P-C4' energy: -129.975 flat angles C4'-P-C4' energy: -129.083 flat angles P-C4'-P energy: -68.049 tors. eta vs tors. theta energy: -54.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -1033.659304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.659304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.659304 (E_RNA) where: Base-Base interactions energy: -570.222 where: short stacking energy: -307.923 Base-Backbone interact. energy: -2.081 local terms energy: -461.356150 where: bonds (distance) C4'-P energy: -137.722 bonds (distance) P-C4' energy: -133.332 flat angles C4'-P-C4' energy: -91.314 flat angles P-C4'-P energy: -85.524 tors. eta vs tors. theta energy: -13.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -2916.935592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.935592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.935592 (E_RNA) where: Base-Base interactions energy: -2014.251 where: short stacking energy: -873.145 Base-Backbone interact. energy: -4.077 local terms energy: -898.608147 where: bonds (distance) C4'-P energy: -161.369 bonds (distance) P-C4' energy: -175.276 flat angles C4'-P-C4' energy: -181.478 flat angles P-C4'-P energy: -118.439 tors. eta vs tors. theta energy: -262.046 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: 2, replica: 7 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2817.582911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.582911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.582911 (E_RNA) where: Base-Base interactions energy: -1921.661 where: short stacking energy: -855.418 Base-Backbone interact. energy: -4.328 local terms energy: -891.593816 where: bonds (distance) C4'-P energy: -174.826 bonds (distance) P-C4' energy: -162.494 flat angles C4'-P-C4' energy: -187.585 flat angles P-C4'-P energy: -121.710 tors. eta vs tors. theta energy: -244.979 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: 3, replica: 10 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2784.080597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.080597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.080597 (E_RNA) where: Base-Base interactions energy: -1958.263 where: short stacking energy: -835.851 Base-Backbone interact. energy: -2.687 local terms energy: -823.131009 where: bonds (distance) C4'-P energy: -154.439 bonds (distance) P-C4' energy: -137.554 flat angles C4'-P-C4' energy: -179.359 flat angles P-C4'-P energy: -120.220 tors. eta vs tors. theta energy: -231.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -2538.919731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.919731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.919731 (E_RNA) where: Base-Base interactions energy: -1758.404 where: short stacking energy: -747.382 Base-Backbone interact. energy: -2.588 local terms energy: -777.927935 where: bonds (distance) C4'-P energy: -154.618 bonds (distance) P-C4' energy: -155.893 flat angles C4'-P-C4' energy: -171.449 flat angles P-C4'-P energy: -98.561 tors. eta vs tors. theta energy: -197.407 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: 5 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -2432.340157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.340157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.340157 (E_RNA) where: Base-Base interactions energy: -1747.758 where: short stacking energy: -723.734 Base-Backbone interact. energy: -0.522 local terms energy: -684.060383 where: bonds (distance) C4'-P energy: -128.004 bonds (distance) P-C4' energy: -120.943 flat angles C4'-P-C4' energy: -161.522 flat angles P-C4'-P energy: -87.638 tors. eta vs tors. theta energy: -185.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -2272.407327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.407327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.407327 (E_RNA) where: Base-Base interactions energy: -1546.570 where: short stacking energy: -681.201 Base-Backbone interact. energy: -3.217 local terms energy: -722.620447 where: bonds (distance) C4'-P energy: -137.945 bonds (distance) P-C4' energy: -133.267 flat angles C4'-P-C4' energy: -143.716 flat angles P-C4'-P energy: -112.800 tors. eta vs tors. theta energy: -194.893 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: 9 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1914.320024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.320024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.320024 (E_RNA) where: Base-Base interactions energy: -1266.074 where: short stacking energy: -593.328 Base-Backbone interact. energy: 1.273 local terms energy: -649.519373 where: bonds (distance) C4'-P energy: -138.249 bonds (distance) P-C4' energy: -143.857 flat angles C4'-P-C4' energy: -155.725 flat angles P-C4'-P energy: -87.491 tors. eta vs tors. theta energy: -124.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -1775.482878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.482878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.482878 (E_RNA) where: Base-Base interactions energy: -1185.548 where: short stacking energy: -552.630 Base-Backbone interact. energy: 0.654 local terms energy: -590.589727 where: bonds (distance) C4'-P energy: -116.773 bonds (distance) P-C4' energy: -147.855 flat angles C4'-P-C4' energy: -146.405 flat angles P-C4'-P energy: -65.828 tors. eta vs tors. theta energy: -113.729 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: 1 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -1260.428508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.428508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.428508 (E_RNA) where: Base-Base interactions energy: -783.819 where: short stacking energy: -362.368 Base-Backbone interact. energy: -3.594 local terms energy: -473.015703 where: bonds (distance) C4'-P energy: -133.156 bonds (distance) P-C4' energy: -122.916 flat angles C4'-P-C4' energy: -105.031 flat angles P-C4'-P energy: -62.310 tors. eta vs tors. theta energy: -49.602 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: 3 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -959.251901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.251901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.251901 (E_RNA) where: Base-Base interactions energy: -513.752 where: short stacking energy: -278.648 Base-Backbone interact. energy: -1.138 local terms energy: -444.361960 where: bonds (distance) C4'-P energy: -123.559 bonds (distance) P-C4' energy: -137.442 flat angles C4'-P-C4' energy: -104.337 flat angles P-C4'-P energy: -57.672 tors. eta vs tors. theta energy: -21.352 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: 1, replica: 6 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -2935.413504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.413504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.413504 (E_RNA) where: Base-Base interactions energy: -2028.101 where: short stacking energy: -868.609 Base-Backbone interact. energy: -3.060 local terms energy: -904.252562 where: bonds (distance) C4'-P energy: -157.284 bonds (distance) P-C4' energy: -170.729 flat angles C4'-P-C4' energy: -176.967 flat angles P-C4'-P energy: -130.755 tors. eta vs tors. theta energy: -268.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -2794.336863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.336863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.336863 (E_RNA) where: Base-Base interactions energy: -1928.286 where: short stacking energy: -817.099 Base-Backbone interact. energy: -2.543 local terms energy: -863.508048 where: bonds (distance) C4'-P energy: -160.928 bonds (distance) P-C4' energy: -156.166 flat angles C4'-P-C4' energy: -179.406 flat angles P-C4'-P energy: -126.949 tors. eta vs tors. theta energy: -240.059 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: 3, replica: 10 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -2750.052536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.052536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.052536 (E_RNA) where: Base-Base interactions energy: -1910.887 where: short stacking energy: -814.458 Base-Backbone interact. energy: -4.258 local terms energy: -834.906829 where: bonds (distance) C4'-P energy: -160.908 bonds (distance) P-C4' energy: -157.289 flat angles C4'-P-C4' energy: -171.549 flat angles P-C4'-P energy: -122.875 tors. eta vs tors. theta energy: -222.285 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: 4 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -2525.286923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.286923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.286923 (E_RNA) where: Base-Base interactions energy: -1702.478 where: short stacking energy: -749.508 Base-Backbone interact. energy: -2.605 local terms energy: -820.204035 where: bonds (distance) C4'-P energy: -157.337 bonds (distance) P-C4' energy: -160.175 flat angles C4'-P-C4' energy: -179.886 flat angles P-C4'-P energy: -124.626 tors. eta vs tors. theta energy: -198.179 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: 5 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -2417.817013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.817013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.817013 (E_RNA) where: Base-Base interactions energy: -1694.067 where: short stacking energy: -689.484 Base-Backbone interact. energy: 9.458 local terms energy: -733.208491 where: bonds (distance) C4'-P energy: -129.718 bonds (distance) P-C4' energy: -151.223 flat angles C4'-P-C4' energy: -167.715 flat angles P-C4'-P energy: -102.148 tors. eta vs tors. theta energy: -182.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -2270.726844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.726844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.726844 (E_RNA) where: Base-Base interactions energy: -1565.150 where: short stacking energy: -686.447 Base-Backbone interact. energy: -4.009 local terms energy: -701.568558 where: bonds (distance) C4'-P energy: -129.322 bonds (distance) P-C4' energy: -153.318 flat angles C4'-P-C4' energy: -134.039 flat angles P-C4'-P energy: -91.388 tors. eta vs tors. theta energy: -193.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1921.838941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.838941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.838941 (E_RNA) where: Base-Base interactions energy: -1284.212 where: short stacking energy: -575.607 Base-Backbone interact. energy: 2.094 local terms energy: -639.721170 where: bonds (distance) C4'-P energy: -137.035 bonds (distance) P-C4' energy: -122.803 flat angles C4'-P-C4' energy: -155.201 flat angles P-C4'-P energy: -83.157 tors. eta vs tors. theta energy: -141.525 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: 8, replica: 2 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1821.652734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.652734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.652734 (E_RNA) where: Base-Base interactions energy: -1227.670 where: short stacking energy: -559.640 Base-Backbone interact. energy: 0.307 local terms energy: -594.289664 where: bonds (distance) C4'-P energy: -128.854 bonds (distance) P-C4' energy: -127.349 flat angles C4'-P-C4' energy: -135.954 flat angles P-C4'-P energy: -83.380 tors. eta vs tors. theta energy: -118.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -1288.595293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.595293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.595293 (E_RNA) where: Base-Base interactions energy: -788.706 where: short stacking energy: -367.111 Base-Backbone interact. energy: 2.416 local terms energy: -502.304694 where: bonds (distance) C4'-P energy: -131.642 bonds (distance) P-C4' energy: -110.945 flat angles C4'-P-C4' energy: -137.073 flat angles P-C4'-P energy: -76.054 tors. eta vs tors. theta energy: -46.590 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: 10, replica: 3 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -974.872536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.872536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.872536 (E_RNA) where: Base-Base interactions energy: -552.798 where: short stacking energy: -286.377 Base-Backbone interact. energy: 1.864 local terms energy: -423.937755 where: bonds (distance) C4'-P energy: -118.452 bonds (distance) P-C4' energy: -129.194 flat angles C4'-P-C4' energy: -109.683 flat angles P-C4'-P energy: -55.106 tors. eta vs tors. theta energy: -11.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -2918.900490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.900490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.900490 (E_RNA) where: Base-Base interactions energy: -2005.568 where: short stacking energy: -880.876 Base-Backbone interact. energy: -4.324 local terms energy: -909.008715 where: bonds (distance) C4'-P energy: -176.869 bonds (distance) P-C4' energy: -151.983 flat angles C4'-P-C4' energy: -179.721 flat angles P-C4'-P energy: -135.713 tors. eta vs tors. theta energy: -264.723 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: 7 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -2800.904194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.904194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.904194 (E_RNA) where: Base-Base interactions energy: -1936.111 where: short stacking energy: -858.455 Base-Backbone interact. energy: -3.923 local terms energy: -860.870455 where: bonds (distance) C4'-P energy: -144.460 bonds (distance) P-C4' energy: -157.129 flat angles C4'-P-C4' energy: -193.515 flat angles P-C4'-P energy: -111.959 tors. eta vs tors. theta energy: -253.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -2701.658119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.658119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.658119 (E_RNA) where: Base-Base interactions energy: -1863.737 where: short stacking energy: -795.652 Base-Backbone interact. energy: -2.144 local terms energy: -835.777528 where: bonds (distance) C4'-P energy: -143.034 bonds (distance) P-C4' energy: -171.480 flat angles C4'-P-C4' energy: -192.411 flat angles P-C4'-P energy: -105.736 tors. eta vs tors. theta energy: -223.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -2448.665162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.665162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.665162 (E_RNA) where: Base-Base interactions energy: -1661.739 where: short stacking energy: -731.443 Base-Backbone interact. energy: -1.256 local terms energy: -785.670121 where: bonds (distance) C4'-P energy: -128.229 bonds (distance) P-C4' energy: -166.044 flat angles C4'-P-C4' energy: -170.068 flat angles P-C4'-P energy: -116.502 tors. eta vs tors. theta energy: -204.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -2421.003779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.003779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.003779 (E_RNA) where: Base-Base interactions energy: -1692.638 where: short stacking energy: -739.557 Base-Backbone interact. energy: 2.973 local terms energy: -731.338701 where: bonds (distance) C4'-P energy: -125.503 bonds (distance) P-C4' energy: -140.338 flat angles C4'-P-C4' energy: -166.597 flat angles P-C4'-P energy: -100.362 tors. eta vs tors. theta energy: -198.539 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: 6, replica: 8 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -2268.003995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.003995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.003995 (E_RNA) where: Base-Base interactions energy: -1557.899 where: short stacking energy: -702.865 Base-Backbone interact. energy: 0.204 local terms energy: -710.308749 where: bonds (distance) C4'-P energy: -118.555 bonds (distance) P-C4' energy: -163.735 flat angles C4'-P-C4' energy: -156.550 flat angles P-C4'-P energy: -88.002 tors. eta vs tors. theta energy: -183.466 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: 7, replica: 9 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1931.173995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.173995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.173995 (E_RNA) where: Base-Base interactions energy: -1286.251 where: short stacking energy: -573.492 Base-Backbone interact. energy: -1.920 local terms energy: -643.002907 where: bonds (distance) C4'-P energy: -124.682 bonds (distance) P-C4' energy: -124.906 flat angles C4'-P-C4' energy: -158.379 flat angles P-C4'-P energy: -113.395 tors. eta vs tors. theta energy: -121.640 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: 2 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1796.201799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.201799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.201799 (E_RNA) where: Base-Base interactions energy: -1218.481 where: short stacking energy: -530.244 Base-Backbone interact. energy: 0.617 local terms energy: -578.337803 where: bonds (distance) C4'-P energy: -144.289 bonds (distance) P-C4' energy: -109.830 flat angles C4'-P-C4' energy: -135.687 flat angles P-C4'-P energy: -74.358 tors. eta vs tors. theta energy: -114.173 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: 9, replica: 1 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -1278.436521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.436521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.436521 (E_RNA) where: Base-Base interactions energy: -755.437 where: short stacking energy: -356.175 Base-Backbone interact. energy: 1.146 local terms energy: -524.145931 where: bonds (distance) C4'-P energy: -112.019 bonds (distance) P-C4' energy: -151.719 flat angles C4'-P-C4' energy: -121.288 flat angles P-C4'-P energy: -89.434 tors. eta vs tors. theta energy: -49.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -1002.253582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.253582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.253582 (E_RNA) where: Base-Base interactions energy: -541.883 where: short stacking energy: -305.934 Base-Backbone interact. energy: 1.975 local terms energy: -462.345267 where: bonds (distance) C4'-P energy: -112.522 bonds (distance) P-C4' energy: -128.003 flat angles C4'-P-C4' energy: -142.878 flat angles P-C4'-P energy: -50.041 tors. eta vs tors. theta energy: -28.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -2974.868007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.868007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.868007 (E_RNA) where: Base-Base interactions energy: -2063.634 where: short stacking energy: -894.201 Base-Backbone interact. energy: -5.286 local terms energy: -905.947916 where: bonds (distance) C4'-P energy: -167.546 bonds (distance) P-C4' energy: -163.018 flat angles C4'-P-C4' energy: -190.223 flat angles P-C4'-P energy: -124.446 tors. eta vs tors. theta energy: -260.715 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: 2, replica: 7 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2817.591591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.591591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.591591 (E_RNA) where: Base-Base interactions energy: -1940.916 where: short stacking energy: -853.540 Base-Backbone interact. energy: -2.697 local terms energy: -873.979039 where: bonds (distance) C4'-P energy: -156.249 bonds (distance) P-C4' energy: -148.088 flat angles C4'-P-C4' energy: -192.119 flat angles P-C4'-P energy: -129.204 tors. eta vs tors. theta energy: -248.320 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: 3, replica: 10 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -2709.601316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.601316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.601316 (E_RNA) where: Base-Base interactions energy: -1885.788 where: short stacking energy: -809.764 Base-Backbone interact. energy: -0.670 local terms energy: -823.142449 where: bonds (distance) C4'-P energy: -162.137 bonds (distance) P-C4' energy: -154.096 flat angles C4'-P-C4' energy: -177.795 flat angles P-C4'-P energy: -96.077 tors. eta vs tors. theta energy: -233.038 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: 266 Temperature: 1.050000 Total energy: -2511.761127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.761127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.761127 (E_RNA) where: Base-Base interactions energy: -1732.819 where: short stacking energy: -725.185 Base-Backbone interact. energy: -3.094 local terms energy: -775.847595 where: bonds (distance) C4'-P energy: -155.805 bonds (distance) P-C4' energy: -159.690 flat angles C4'-P-C4' energy: -169.436 flat angles P-C4'-P energy: -94.134 tors. eta vs tors. theta energy: -196.782 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: 5, replica: 5 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -2372.844494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.844494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.844494 (E_RNA) where: Base-Base interactions energy: -1629.715 where: short stacking energy: -696.629 Base-Backbone interact. energy: -4.244 local terms energy: -738.885733 where: bonds (distance) C4'-P energy: -130.313 bonds (distance) P-C4' energy: -154.499 flat angles C4'-P-C4' energy: -165.738 flat angles P-C4'-P energy: -101.588 tors. eta vs tors. theta energy: -186.748 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: 8 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -2303.318331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.318331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.318331 (E_RNA) where: Base-Base interactions energy: -1569.855 where: short stacking energy: -700.975 Base-Backbone interact. energy: -2.821 local terms energy: -730.642721 where: bonds (distance) C4'-P energy: -147.807 bonds (distance) P-C4' energy: -151.724 flat angles C4'-P-C4' energy: -159.265 flat angles P-C4'-P energy: -82.276 tors. eta vs tors. theta energy: -189.571 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: 9 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1958.902433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.902433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.902433 (E_RNA) where: Base-Base interactions energy: -1323.328 where: short stacking energy: -622.187 Base-Backbone interact. energy: -3.298 local terms energy: -632.276378 where: bonds (distance) C4'-P energy: -116.491 bonds (distance) P-C4' energy: -124.683 flat angles C4'-P-C4' energy: -147.573 flat angles P-C4'-P energy: -93.956 tors. eta vs tors. theta energy: -149.573 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: 2 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1779.105036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.105036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.105036 (E_RNA) where: Base-Base interactions energy: -1220.132 where: short stacking energy: -509.918 Base-Backbone interact. energy: 2.329 local terms energy: -561.301451 where: bonds (distance) C4'-P energy: -91.031 bonds (distance) P-C4' energy: -132.018 flat angles C4'-P-C4' energy: -142.081 flat angles P-C4'-P energy: -84.030 tors. eta vs tors. theta energy: -112.141 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: 9, replica: 1 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -1255.233568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.233568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.233568 (E_RNA) where: Base-Base interactions energy: -752.402 where: short stacking energy: -365.206 Base-Backbone interact. energy: 0.500 local terms energy: -503.331424 where: bonds (distance) C4'-P energy: -136.095 bonds (distance) P-C4' energy: -109.932 flat angles C4'-P-C4' energy: -131.064 flat angles P-C4'-P energy: -75.795 tors. eta vs tors. theta energy: -50.445 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: 10, replica: 3 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -932.810612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.810612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.810612 (E_RNA) where: Base-Base interactions energy: -486.947 where: short stacking energy: -259.266 Base-Backbone interact. energy: -1.372 local terms energy: -444.491968 where: bonds (distance) C4'-P energy: -131.242 bonds (distance) P-C4' energy: -126.653 flat angles C4'-P-C4' energy: -87.432 flat angles P-C4'-P energy: -88.632 tors. eta vs tors. theta energy: -10.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -2950.273136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.273136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.273136 (E_RNA) where: Base-Base interactions energy: -2037.772 where: short stacking energy: -857.155 Base-Backbone interact. energy: -3.552 local terms energy: -908.949587 where: bonds (distance) C4'-P energy: -146.864 bonds (distance) P-C4' energy: -163.859 flat angles C4'-P-C4' energy: -194.948 flat angles P-C4'-P energy: -137.036 tors. eta vs tors. theta energy: -266.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -2815.758361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.758361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.758361 (E_RNA) where: Base-Base interactions energy: -1938.415 where: short stacking energy: -842.258 Base-Backbone interact. energy: -2.938 local terms energy: -874.405507 where: bonds (distance) C4'-P energy: -159.160 bonds (distance) P-C4' energy: -161.153 flat angles C4'-P-C4' energy: -180.216 flat angles P-C4'-P energy: -124.516 tors. eta vs tors. theta energy: -249.361 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: 3, replica: 10 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2739.901514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.901514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.901514 (E_RNA) where: Base-Base interactions energy: -1909.925 where: short stacking energy: -802.747 Base-Backbone interact. energy: -3.358 local terms energy: -826.619243 where: bonds (distance) C4'-P energy: -148.811 bonds (distance) P-C4' energy: -156.972 flat angles C4'-P-C4' energy: -170.137 flat angles P-C4'-P energy: -121.779 tors. eta vs tors. theta energy: -228.920 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: 4, replica: 4 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -2517.706927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.706927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.706927 (E_RNA) where: Base-Base interactions energy: -1727.309 where: short stacking energy: -713.015 Base-Backbone interact. energy: -1.240 local terms energy: -789.158662 where: bonds (distance) C4'-P energy: -151.853 bonds (distance) P-C4' energy: -146.391 flat angles C4'-P-C4' energy: -168.803 flat angles P-C4'-P energy: -131.157 tors. eta vs tors. theta energy: -190.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -2353.470837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.470837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.470837 (E_RNA) where: Base-Base interactions energy: -1640.865 where: short stacking energy: -709.877 Base-Backbone interact. energy: 2.206 local terms energy: -714.811788 where: bonds (distance) C4'-P energy: -123.466 bonds (distance) P-C4' energy: -137.016 flat angles C4'-P-C4' energy: -161.254 flat angles P-C4'-P energy: -118.623 tors. eta vs tors. theta energy: -174.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -2217.780852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.780852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.780852 (E_RNA) where: Base-Base interactions energy: -1468.332 where: short stacking energy: -665.467 Base-Backbone interact. energy: -2.827 local terms energy: -746.621328 where: bonds (distance) C4'-P energy: -150.187 bonds (distance) P-C4' energy: -142.032 flat angles C4'-P-C4' energy: -168.479 flat angles P-C4'-P energy: -93.721 tors. eta vs tors. theta energy: -192.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1880.321849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.321849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.321849 (E_RNA) where: Base-Base interactions energy: -1242.651 where: short stacking energy: -571.084 Base-Backbone interact. energy: -4.702 local terms energy: -632.968152 where: bonds (distance) C4'-P energy: -122.938 bonds (distance) P-C4' energy: -143.493 flat angles C4'-P-C4' energy: -149.761 flat angles P-C4'-P energy: -90.004 tors. eta vs tors. theta energy: -126.772 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: 8, replica: 2 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1768.046379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.046379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.046379 (E_RNA) where: Base-Base interactions energy: -1149.234 where: short stacking energy: -489.738 Base-Backbone interact. energy: -2.488 local terms energy: -616.325065 where: bonds (distance) C4'-P energy: -138.436 bonds (distance) P-C4' energy: -134.277 flat angles C4'-P-C4' energy: -144.373 flat angles P-C4'-P energy: -102.578 tors. eta vs tors. theta energy: -96.661 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: 9, replica: 1 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -1171.696083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.696083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.696083 (E_RNA) where: Base-Base interactions energy: -702.496 where: short stacking energy: -343.461 Base-Backbone interact. energy: 3.726 local terms energy: -472.925806 where: bonds (distance) C4'-P energy: -132.930 bonds (distance) P-C4' energy: -135.540 flat angles C4'-P-C4' energy: -131.668 flat angles P-C4'-P energy: -43.601 tors. eta vs tors. theta energy: -29.187 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: 3 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -944.089879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.089879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.089879 (E_RNA) where: Base-Base interactions energy: -504.850 where: short stacking energy: -273.260 Base-Backbone interact. energy: 2.795 local terms energy: -442.034121 where: bonds (distance) C4'-P energy: -139.516 bonds (distance) P-C4' energy: -114.615 flat angles C4'-P-C4' energy: -104.402 flat angles P-C4'-P energy: -73.820 tors. eta vs tors. theta energy: -9.681 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: 6 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -2933.605424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.605424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.605424 (E_RNA) where: Base-Base interactions energy: -2045.634 where: short stacking energy: -863.135 Base-Backbone interact. energy: -4.124 local terms energy: -883.848245 where: bonds (distance) C4'-P energy: -160.422 bonds (distance) P-C4' energy: -153.765 flat angles C4'-P-C4' energy: -182.582 flat angles P-C4'-P energy: -126.427 tors. eta vs tors. theta energy: -260.653 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: 7 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -2786.700476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.700476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.700476 (E_RNA) where: Base-Base interactions energy: -1916.800 where: short stacking energy: -847.290 Base-Backbone interact. energy: -3.143 local terms energy: -866.757550 where: bonds (distance) C4'-P energy: -149.194 bonds (distance) P-C4' energy: -149.661 flat angles C4'-P-C4' energy: -189.185 flat angles P-C4'-P energy: -135.913 tors. eta vs tors. theta energy: -242.803 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: 3, replica: 10 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2719.128627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.128627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.128627 (E_RNA) where: Base-Base interactions energy: -1917.034 where: short stacking energy: -795.353 Base-Backbone interact. energy: -0.780 local terms energy: -801.314571 where: bonds (distance) C4'-P energy: -157.431 bonds (distance) P-C4' energy: -129.274 flat angles C4'-P-C4' energy: -172.426 flat angles P-C4'-P energy: -125.427 tors. eta vs tors. theta energy: -216.757 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: 4 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -2536.176907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.176907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.176907 (E_RNA) where: Base-Base interactions energy: -1746.744 where: short stacking energy: -727.139 Base-Backbone interact. energy: -3.790 local terms energy: -785.643700 where: bonds (distance) C4'-P energy: -155.294 bonds (distance) P-C4' energy: -159.053 flat angles C4'-P-C4' energy: -165.671 flat angles P-C4'-P energy: -110.428 tors. eta vs tors. theta energy: -195.197 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: 5, replica: 5 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -2382.348325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.348325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.348325 (E_RNA) where: Base-Base interactions energy: -1656.686 where: short stacking energy: -699.094 Base-Backbone interact. energy: 0.640 local terms energy: -726.302295 where: bonds (distance) C4'-P energy: -144.329 bonds (distance) P-C4' energy: -131.513 flat angles C4'-P-C4' energy: -175.724 flat angles P-C4'-P energy: -99.633 tors. eta vs tors. theta energy: -175.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -2163.239076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.239076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.239076 (E_RNA) where: Base-Base interactions energy: -1469.628 where: short stacking energy: -646.744 Base-Backbone interact. energy: -4.158 local terms energy: -689.453289 where: bonds (distance) C4'-P energy: -135.350 bonds (distance) P-C4' energy: -122.005 flat angles C4'-P-C4' energy: -151.262 flat angles P-C4'-P energy: -101.396 tors. eta vs tors. theta energy: -179.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1994.801268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.801268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.801268 (E_RNA) where: Base-Base interactions energy: -1349.978 where: short stacking energy: -575.737 Base-Backbone interact. energy: -1.754 local terms energy: -643.069123 where: bonds (distance) C4'-P energy: -126.589 bonds (distance) P-C4' energy: -129.152 flat angles C4'-P-C4' energy: -151.379 flat angles P-C4'-P energy: -106.143 tors. eta vs tors. theta energy: -129.806 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: 8, replica: 2 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1737.593842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.593842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.593842 (E_RNA) where: Base-Base interactions energy: -1172.165 where: short stacking energy: -509.883 Base-Backbone interact. energy: 0.859 local terms energy: -566.287920 where: bonds (distance) C4'-P energy: -135.929 bonds (distance) P-C4' energy: -109.597 flat angles C4'-P-C4' energy: -137.081 flat angles P-C4'-P energy: -76.910 tors. eta vs tors. theta energy: -106.771 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: 9, replica: 1 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -1151.131686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.131686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.131686 (E_RNA) where: Base-Base interactions energy: -687.887 where: short stacking energy: -351.883 Base-Backbone interact. energy: -0.602 local terms energy: -462.643150 where: bonds (distance) C4'-P energy: -96.161 bonds (distance) P-C4' energy: -149.976 flat angles C4'-P-C4' energy: -124.781 flat angles P-C4'-P energy: -63.946 tors. eta vs tors. theta energy: -27.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -886.628078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.628078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.628078 (E_RNA) where: Base-Base interactions energy: -444.046 where: short stacking energy: -272.457 Base-Backbone interact. energy: 0.072 local terms energy: -442.654435 where: bonds (distance) C4'-P energy: -113.204 bonds (distance) P-C4' energy: -134.765 flat angles C4'-P-C4' energy: -111.978 flat angles P-C4'-P energy: -86.879 tors. eta vs tors. theta energy: 4.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -2949.682064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.682064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.682064 (E_RNA) where: Base-Base interactions energy: -2029.885 where: short stacking energy: -865.044 Base-Backbone interact. energy: -1.868 local terms energy: -917.929402 where: bonds (distance) C4'-P energy: -165.064 bonds (distance) P-C4' energy: -161.581 flat angles C4'-P-C4' energy: -193.384 flat angles P-C4'-P energy: -133.884 tors. eta vs tors. theta energy: -264.016 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: 2, replica: 7 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2785.958403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.958403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.958403 (E_RNA) where: Base-Base interactions energy: -1944.083 where: short stacking energy: -835.027 Base-Backbone interact. energy: -1.828 local terms energy: -840.046531 where: bonds (distance) C4'-P energy: -145.789 bonds (distance) P-C4' energy: -157.864 flat angles C4'-P-C4' energy: -179.803 flat angles P-C4'-P energy: -113.798 tors. eta vs tors. theta energy: -242.793 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: 3, replica: 10 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2711.086509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.086509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.086509 (E_RNA) where: Base-Base interactions energy: -1909.201 where: short stacking energy: -794.262 Base-Backbone interact. energy: 0.642 local terms energy: -802.527792 where: bonds (distance) C4'-P energy: -146.936 bonds (distance) P-C4' energy: -133.980 flat angles C4'-P-C4' energy: -180.536 flat angles P-C4'-P energy: -110.455 tors. eta vs tors. theta energy: -230.621 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: 4 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -2523.339941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.339941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.339941 (E_RNA) where: Base-Base interactions energy: -1732.685 where: short stacking energy: -737.603 Base-Backbone interact. energy: -0.632 local terms energy: -790.022469 where: bonds (distance) C4'-P energy: -138.775 bonds (distance) P-C4' energy: -155.910 flat angles C4'-P-C4' energy: -167.613 flat angles P-C4'-P energy: -127.296 tors. eta vs tors. theta energy: -200.429 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: 5, replica: 5 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -2368.933821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.933821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.933821 (E_RNA) where: Base-Base interactions energy: -1608.034 where: short stacking energy: -709.530 Base-Backbone interact. energy: -4.390 local terms energy: -756.508941 where: bonds (distance) C4'-P energy: -143.323 bonds (distance) P-C4' energy: -156.204 flat angles C4'-P-C4' energy: -174.651 flat angles P-C4'-P energy: -101.698 tors. eta vs tors. theta energy: -180.632 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: 269 Temperature: 1.150000 Total energy: -2138.764970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.764970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.764970 (E_RNA) where: Base-Base interactions energy: -1453.595 where: short stacking energy: -652.362 Base-Backbone interact. energy: -3.031 local terms energy: -682.138913 where: bonds (distance) C4'-P energy: -131.071 bonds (distance) P-C4' energy: -135.567 flat angles C4'-P-C4' energy: -157.246 flat angles P-C4'-P energy: -103.214 tors. eta vs tors. theta energy: -155.042 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: 8 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -2020.719887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.719887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.719887 (E_RNA) where: Base-Base interactions energy: -1370.791 where: short stacking energy: -576.525 Base-Backbone interact. energy: -2.973 local terms energy: -646.956369 where: bonds (distance) C4'-P energy: -115.423 bonds (distance) P-C4' energy: -150.813 flat angles C4'-P-C4' energy: -153.119 flat angles P-C4'-P energy: -78.406 tors. eta vs tors. theta energy: -149.195 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: 2 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1703.839093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.839093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.839093 (E_RNA) where: Base-Base interactions energy: -1154.877 where: short stacking energy: -497.070 Base-Backbone interact. energy: -1.864 local terms energy: -547.097973 where: bonds (distance) C4'-P energy: -131.173 bonds (distance) P-C4' energy: -133.826 flat angles C4'-P-C4' energy: -126.598 flat angles P-C4'-P energy: -61.783 tors. eta vs tors. theta energy: -93.719 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: 9, replica: 1 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -1097.823095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.823095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.823095 (E_RNA) where: Base-Base interactions energy: -595.220 where: short stacking energy: -331.248 Base-Backbone interact. energy: 2.187 local terms energy: -504.790190 where: bonds (distance) C4'-P energy: -134.978 bonds (distance) P-C4' energy: -135.514 flat angles C4'-P-C4' energy: -132.790 flat angles P-C4'-P energy: -69.876 tors. eta vs tors. theta energy: -31.631 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: 3 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -885.911034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.911034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.911034 (E_RNA) where: Base-Base interactions energy: -454.697 where: short stacking energy: -267.396 Base-Backbone interact. energy: 3.921 local terms energy: -435.134451 where: bonds (distance) C4'-P energy: -141.107 bonds (distance) P-C4' energy: -125.483 flat angles C4'-P-C4' energy: -119.979 flat angles P-C4'-P energy: -63.577 tors. eta vs tors. theta energy: 15.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -2968.396158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.396158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.396158 (E_RNA) where: Base-Base interactions energy: -2055.825 where: short stacking energy: -885.269 Base-Backbone interact. energy: -2.049 local terms energy: -910.522694 where: bonds (distance) C4'-P energy: -165.350 bonds (distance) P-C4' energy: -164.265 flat angles C4'-P-C4' energy: -182.793 flat angles P-C4'-P energy: -132.630 tors. eta vs tors. theta energy: -265.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -2797.668617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.668617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.668617 (E_RNA) where: Base-Base interactions energy: -1940.383 where: short stacking energy: -854.052 Base-Backbone interact. energy: 1.766 local terms energy: -859.051720 where: bonds (distance) C4'-P energy: -159.823 bonds (distance) P-C4' energy: -144.415 flat angles C4'-P-C4' energy: -191.585 flat angles P-C4'-P energy: -126.858 tors. eta vs tors. theta energy: -236.371 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: 3, replica: 10 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2680.259973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.259973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.259973 (E_RNA) where: Base-Base interactions energy: -1883.949 where: short stacking energy: -784.263 Base-Backbone interact. energy: -6.591 local terms energy: -789.720215 where: bonds (distance) C4'-P energy: -144.252 bonds (distance) P-C4' energy: -150.289 flat angles C4'-P-C4' energy: -162.497 flat angles P-C4'-P energy: -117.115 tors. eta vs tors. theta energy: -215.567 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: 4 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -2524.701415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.701415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.701415 (E_RNA) where: Base-Base interactions energy: -1709.669 where: short stacking energy: -755.948 Base-Backbone interact. energy: -0.659 local terms energy: -814.373389 where: bonds (distance) C4'-P energy: -159.485 bonds (distance) P-C4' energy: -164.856 flat angles C4'-P-C4' energy: -182.006 flat angles P-C4'-P energy: -115.139 tors. eta vs tors. theta energy: -192.887 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: 5, replica: 5 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -2413.183690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.183690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.183690 (E_RNA) where: Base-Base interactions energy: -1687.559 where: short stacking energy: -727.879 Base-Backbone interact. energy: -1.527 local terms energy: -724.097593 where: bonds (distance) C4'-P energy: -138.251 bonds (distance) P-C4' energy: -141.039 flat angles C4'-P-C4' energy: -168.213 flat angles P-C4'-P energy: -80.880 tors. eta vs tors. theta energy: -195.714 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: 9 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -2140.146212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.146212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.146212 (E_RNA) where: Base-Base interactions energy: -1476.672 where: short stacking energy: -643.401 Base-Backbone interact. energy: -1.129 local terms energy: -662.345948 where: bonds (distance) C4'-P energy: -126.543 bonds (distance) P-C4' energy: -145.726 flat angles C4'-P-C4' energy: -136.861 flat angles P-C4'-P energy: -107.422 tors. eta vs tors. theta energy: -145.795 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: 7, replica: 8 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1998.244424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.244424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.244424 (E_RNA) where: Base-Base interactions energy: -1329.131 where: short stacking energy: -593.815 Base-Backbone interact. energy: -6.173 local terms energy: -662.941106 where: bonds (distance) C4'-P energy: -136.521 bonds (distance) P-C4' energy: -124.380 flat angles C4'-P-C4' energy: -145.830 flat angles P-C4'-P energy: -109.980 tors. eta vs tors. theta energy: -146.230 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: 2 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1735.951509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.951509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.951509 (E_RNA) where: Base-Base interactions energy: -1129.961 where: short stacking energy: -504.442 Base-Backbone interact. energy: 4.145 local terms energy: -610.136276 where: bonds (distance) C4'-P energy: -117.239 bonds (distance) P-C4' energy: -148.082 flat angles C4'-P-C4' energy: -142.931 flat angles P-C4'-P energy: -85.855 tors. eta vs tors. theta energy: -116.030 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: 1 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -1100.713978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.713978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.713978 (E_RNA) where: Base-Base interactions energy: -619.907 where: short stacking energy: -334.819 Base-Backbone interact. energy: -0.007 local terms energy: -480.799795 where: bonds (distance) C4'-P energy: -129.039 bonds (distance) P-C4' energy: -122.300 flat angles C4'-P-C4' energy: -124.908 flat angles P-C4'-P energy: -77.072 tors. eta vs tors. theta energy: -27.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -903.588646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.588646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.588646 (E_RNA) where: Base-Base interactions energy: -435.303 where: short stacking energy: -244.085 Base-Backbone interact. energy: 0.583 local terms energy: -468.868701 where: bonds (distance) C4'-P energy: -123.113 bonds (distance) P-C4' energy: -137.444 flat angles C4'-P-C4' energy: -119.575 flat angles P-C4'-P energy: -79.824 tors. eta vs tors. theta energy: -8.913 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: 1, replica: 6 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -2936.213713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.213713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.213713 (E_RNA) where: Base-Base interactions energy: -2019.573 where: short stacking energy: -892.953 Base-Backbone interact. energy: -1.646 local terms energy: -914.994681 where: bonds (distance) C4'-P energy: -150.202 bonds (distance) P-C4' energy: -166.104 flat angles C4'-P-C4' energy: -197.747 flat angles P-C4'-P energy: -132.521 tors. eta vs tors. theta energy: -268.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -2841.976402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.976402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.976402 (E_RNA) where: Base-Base interactions energy: -1965.308 where: short stacking energy: -850.437 Base-Backbone interact. energy: 1.342 local terms energy: -878.010562 where: bonds (distance) C4'-P energy: -167.535 bonds (distance) P-C4' energy: -157.568 flat angles C4'-P-C4' energy: -190.354 flat angles P-C4'-P energy: -122.214 tors. eta vs tors. theta energy: -240.340 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: 3, replica: 10 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2714.776584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.776584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.776584 (E_RNA) where: Base-Base interactions energy: -1886.871 where: short stacking energy: -805.279 Base-Backbone interact. energy: -1.730 local terms energy: -826.175749 where: bonds (distance) C4'-P energy: -156.276 bonds (distance) P-C4' energy: -143.009 flat angles C4'-P-C4' energy: -182.097 flat angles P-C4'-P energy: -124.069 tors. eta vs tors. theta energy: -220.724 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: 4, replica: 4 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -2447.245581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.245581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.245581 (E_RNA) where: Base-Base interactions energy: -1696.521 where: short stacking energy: -741.244 Base-Backbone interact. energy: -0.533 local terms energy: -750.191572 where: bonds (distance) C4'-P energy: -124.036 bonds (distance) P-C4' energy: -159.665 flat angles C4'-P-C4' energy: -170.975 flat angles P-C4'-P energy: -101.573 tors. eta vs tors. theta energy: -193.943 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: 5 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -2412.088298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.088298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.088298 (E_RNA) where: Base-Base interactions energy: -1656.831 where: short stacking energy: -709.358 Base-Backbone interact. energy: -0.375 local terms energy: -754.881966 where: bonds (distance) C4'-P energy: -154.274 bonds (distance) P-C4' energy: -148.761 flat angles C4'-P-C4' energy: -167.126 flat angles P-C4'-P energy: -100.116 tors. eta vs tors. theta energy: -184.605 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: 9 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -2133.448756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.448756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.448756 (E_RNA) where: Base-Base interactions energy: -1461.742 where: short stacking energy: -641.535 Base-Backbone interact. energy: -2.377 local terms energy: -669.329642 where: bonds (distance) C4'-P energy: -124.221 bonds (distance) P-C4' energy: -129.316 flat angles C4'-P-C4' energy: -149.336 flat angles P-C4'-P energy: -106.058 tors. eta vs tors. theta energy: -160.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1964.066909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.066909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.066909 (E_RNA) where: Base-Base interactions energy: -1319.210 where: short stacking energy: -558.382 Base-Backbone interact. energy: -3.052 local terms energy: -641.805578 where: bonds (distance) C4'-P energy: -142.175 bonds (distance) P-C4' energy: -133.013 flat angles C4'-P-C4' energy: -150.153 flat angles P-C4'-P energy: -85.175 tors. eta vs tors. theta energy: -131.289 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: 2 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1686.655980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.655980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.655980 (E_RNA) where: Base-Base interactions energy: -1078.505 where: short stacking energy: -510.264 Base-Backbone interact. energy: -0.531 local terms energy: -607.619974 where: bonds (distance) C4'-P energy: -108.900 bonds (distance) P-C4' energy: -144.812 flat angles C4'-P-C4' energy: -135.995 flat angles P-C4'-P energy: -93.114 tors. eta vs tors. theta energy: -124.799 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: 1 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -1111.473913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.473913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.473913 (E_RNA) where: Base-Base interactions energy: -623.886 where: short stacking energy: -337.274 Base-Backbone interact. energy: 4.843 local terms energy: -492.431124 where: bonds (distance) C4'-P energy: -126.499 bonds (distance) P-C4' energy: -140.544 flat angles C4'-P-C4' energy: -110.767 flat angles P-C4'-P energy: -70.340 tors. eta vs tors. theta energy: -44.282 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: 3 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -948.948656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.948656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.948656 (E_RNA) where: Base-Base interactions energy: -460.129 where: short stacking energy: -228.261 Base-Backbone interact. energy: 3.750 local terms energy: -492.569344 where: bonds (distance) C4'-P energy: -134.346 bonds (distance) P-C4' energy: -140.464 flat angles C4'-P-C4' energy: -133.150 flat angles P-C4'-P energy: -69.762 tors. eta vs tors. theta energy: -14.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -2946.097034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.097034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.097034 (E_RNA) where: Base-Base interactions energy: -2027.926 where: short stacking energy: -876.891 Base-Backbone interact. energy: -5.619 local terms energy: -912.551685 where: bonds (distance) C4'-P energy: -159.196 bonds (distance) P-C4' energy: -162.021 flat angles C4'-P-C4' energy: -192.257 flat angles P-C4'-P energy: -140.321 tors. eta vs tors. theta energy: -258.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -2794.282249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.282249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.282249 (E_RNA) where: Base-Base interactions energy: -1944.045 where: short stacking energy: -831.936 Base-Backbone interact. energy: -2.815 local terms energy: -847.422553 where: bonds (distance) C4'-P energy: -147.620 bonds (distance) P-C4' energy: -153.970 flat angles C4'-P-C4' energy: -177.813 flat angles P-C4'-P energy: -130.554 tors. eta vs tors. theta energy: -237.466 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: 10 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2738.085050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.085050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.085050 (E_RNA) where: Base-Base interactions energy: -1887.528 where: short stacking energy: -790.840 Base-Backbone interact. energy: -1.296 local terms energy: -849.260933 where: bonds (distance) C4'-P energy: -147.013 bonds (distance) P-C4' energy: -163.290 flat angles C4'-P-C4' energy: -184.253 flat angles P-C4'-P energy: -124.567 tors. eta vs tors. theta energy: -230.138 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: 4 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -2506.477388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.477388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.477388 (E_RNA) where: Base-Base interactions energy: -1697.900 where: short stacking energy: -734.428 Base-Backbone interact. energy: -4.587 local terms energy: -803.989965 where: bonds (distance) C4'-P energy: -158.936 bonds (distance) P-C4' energy: -154.704 flat angles C4'-P-C4' energy: -173.151 flat angles P-C4'-P energy: -118.753 tors. eta vs tors. theta energy: -198.446 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: 5 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -2423.529331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.529331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.529331 (E_RNA) where: Base-Base interactions energy: -1669.920 where: short stacking energy: -723.158 Base-Backbone interact. energy: -1.798 local terms energy: -751.810906 where: bonds (distance) C4'-P energy: -140.964 bonds (distance) P-C4' energy: -162.396 flat angles C4'-P-C4' energy: -151.351 flat angles P-C4'-P energy: -109.831 tors. eta vs tors. theta energy: -187.269 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: 6, replica: 9 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -2153.868082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.868082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.868082 (E_RNA) where: Base-Base interactions energy: -1443.843 where: short stacking energy: -653.094 Base-Backbone interact. energy: 1.091 local terms energy: -711.116052 where: bonds (distance) C4'-P energy: -141.461 bonds (distance) P-C4' energy: -142.490 flat angles C4'-P-C4' energy: -159.025 flat angles P-C4'-P energy: -98.649 tors. eta vs tors. theta energy: -169.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1918.272926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.272926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.272926 (E_RNA) where: Base-Base interactions energy: -1284.137 where: short stacking energy: -578.854 Base-Backbone interact. energy: 0.396 local terms energy: -634.531252 where: bonds (distance) C4'-P energy: -140.118 bonds (distance) P-C4' energy: -143.118 flat angles C4'-P-C4' energy: -135.596 flat angles P-C4'-P energy: -83.462 tors. eta vs tors. theta energy: -132.237 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: 2 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1681.734672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.734672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.734672 (E_RNA) where: Base-Base interactions energy: -1114.334 where: short stacking energy: -507.528 Base-Backbone interact. energy: -0.991 local terms energy: -566.409985 where: bonds (distance) C4'-P energy: -122.565 bonds (distance) P-C4' energy: -120.378 flat angles C4'-P-C4' energy: -133.232 flat angles P-C4'-P energy: -72.451 tors. eta vs tors. theta energy: -117.784 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: 9, replica: 1 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -1092.965706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.965706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.965706 (E_RNA) where: Base-Base interactions energy: -601.406 where: short stacking energy: -339.415 Base-Backbone interact. energy: 6.271 local terms energy: -497.831490 where: bonds (distance) C4'-P energy: -125.491 bonds (distance) P-C4' energy: -140.185 flat angles C4'-P-C4' energy: -116.847 flat angles P-C4'-P energy: -75.457 tors. eta vs tors. theta energy: -39.851 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: 10, replica: 3 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -848.573881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.573881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.573881 (E_RNA) where: Base-Base interactions energy: -427.979 where: short stacking energy: -245.993 Base-Backbone interact. energy: 2.711 local terms energy: -423.306062 where: bonds (distance) C4'-P energy: -119.973 bonds (distance) P-C4' energy: -149.265 flat angles C4'-P-C4' energy: -101.488 flat angles P-C4'-P energy: -58.070 tors. eta vs tors. theta energy: 5.490 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: 6 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -2930.217534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.217534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.217534 (E_RNA) where: Base-Base interactions energy: -2045.853 where: short stacking energy: -874.017 Base-Backbone interact. energy: -2.676 local terms energy: -881.688171 where: bonds (distance) C4'-P energy: -156.802 bonds (distance) P-C4' energy: -143.271 flat angles C4'-P-C4' energy: -181.727 flat angles P-C4'-P energy: -141.054 tors. eta vs tors. theta energy: -258.834 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: 7 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -2847.206752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.206752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.206752 (E_RNA) where: Base-Base interactions energy: -1974.865 where: short stacking energy: -849.164 Base-Backbone interact. energy: -3.366 local terms energy: -868.975292 where: bonds (distance) C4'-P energy: -151.094 bonds (distance) P-C4' energy: -165.891 flat angles C4'-P-C4' energy: -171.361 flat angles P-C4'-P energy: -133.683 tors. eta vs tors. theta energy: -246.946 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: 10 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -2727.040131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.040131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.040131 (E_RNA) where: Base-Base interactions energy: -1917.177 where: short stacking energy: -807.612 Base-Backbone interact. energy: 0.755 local terms energy: -810.618431 where: bonds (distance) C4'-P energy: -150.698 bonds (distance) P-C4' energy: -154.651 flat angles C4'-P-C4' energy: -173.270 flat angles P-C4'-P energy: -101.085 tors. eta vs tors. theta energy: -230.914 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: 4, replica: 4 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -2440.279806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.279806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.279806 (E_RNA) where: Base-Base interactions energy: -1686.568 where: short stacking energy: -680.816 Base-Backbone interact. energy: 0.338 local terms energy: -754.050369 where: bonds (distance) C4'-P energy: -146.351 bonds (distance) P-C4' energy: -145.333 flat angles C4'-P-C4' energy: -171.490 flat angles P-C4'-P energy: -106.594 tors. eta vs tors. theta energy: -184.282 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: 5, replica: 5 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -2409.024692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.024692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.024692 (E_RNA) where: Base-Base interactions energy: -1647.992 where: short stacking energy: -719.765 Base-Backbone interact. energy: 0.866 local terms energy: -761.897966 where: bonds (distance) C4'-P energy: -128.390 bonds (distance) P-C4' energy: -154.769 flat angles C4'-P-C4' energy: -167.154 flat angles P-C4'-P energy: -110.739 tors. eta vs tors. theta energy: -200.845 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: 6, replica: 9 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -2131.202445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.202445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.202445 (E_RNA) where: Base-Base interactions energy: -1437.221 where: short stacking energy: -626.306 Base-Backbone interact. energy: -3.051 local terms energy: -690.929922 where: bonds (distance) C4'-P energy: -136.494 bonds (distance) P-C4' energy: -145.599 flat angles C4'-P-C4' energy: -142.554 flat angles P-C4'-P energy: -105.303 tors. eta vs tors. theta energy: -160.980 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: 7, replica: 8 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1914.608029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.608029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.608029 (E_RNA) where: Base-Base interactions energy: -1266.762 where: short stacking energy: -560.558 Base-Backbone interact. energy: 0.197 local terms energy: -648.042910 where: bonds (distance) C4'-P energy: -140.959 bonds (distance) P-C4' energy: -148.478 flat angles C4'-P-C4' energy: -137.366 flat angles P-C4'-P energy: -79.431 tors. eta vs tors. theta energy: -141.809 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: 8, replica: 2 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1697.562018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.562018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.562018 (E_RNA) where: Base-Base interactions energy: -1073.528 where: short stacking energy: -460.957 Base-Backbone interact. energy: 1.505 local terms energy: -625.539149 where: bonds (distance) C4'-P energy: -142.310 bonds (distance) P-C4' energy: -139.395 flat angles C4'-P-C4' energy: -143.235 flat angles P-C4'-P energy: -98.291 tors. eta vs tors. theta energy: -102.308 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: 9, replica: 1 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -1161.600183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.600183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.600183 (E_RNA) where: Base-Base interactions energy: -677.042 where: short stacking energy: -362.924 Base-Backbone interact. energy: 3.428 local terms energy: -487.986408 where: bonds (distance) C4'-P energy: -125.976 bonds (distance) P-C4' energy: -145.959 flat angles C4'-P-C4' energy: -125.293 flat angles P-C4'-P energy: -63.690 tors. eta vs tors. theta energy: -27.068 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: 3 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -945.456285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.456285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.456285 (E_RNA) where: Base-Base interactions energy: -506.911 where: short stacking energy: -262.424 Base-Backbone interact. energy: 0.846 local terms energy: -439.390836 where: bonds (distance) C4'-P energy: -100.701 bonds (distance) P-C4' energy: -145.474 flat angles C4'-P-C4' energy: -127.109 flat angles P-C4'-P energy: -56.500 tors. eta vs tors. theta energy: -9.607 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: 6 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -2943.218828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.218828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.218828 (E_RNA) where: Base-Base interactions energy: -2016.060 where: short stacking energy: -876.502 Base-Backbone interact. energy: -3.547 local terms energy: -923.611543 where: bonds (distance) C4'-P energy: -166.112 bonds (distance) P-C4' energy: -185.277 flat angles C4'-P-C4' energy: -177.679 flat angles P-C4'-P energy: -136.487 tors. eta vs tors. theta energy: -258.056 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: 7 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -2818.083332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.083332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.083332 (E_RNA) where: Base-Base interactions energy: -1988.930 where: short stacking energy: -847.240 Base-Backbone interact. energy: -0.468 local terms energy: -828.685241 where: bonds (distance) C4'-P energy: -137.572 bonds (distance) P-C4' energy: -152.737 flat angles C4'-P-C4' energy: -180.045 flat angles P-C4'-P energy: -120.261 tors. eta vs tors. theta energy: -238.070 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: 10 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -2718.290009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.290009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.290009 (E_RNA) where: Base-Base interactions energy: -1913.122 where: short stacking energy: -812.963 Base-Backbone interact. energy: -0.080 local terms energy: -805.088383 where: bonds (distance) C4'-P energy: -132.594 bonds (distance) P-C4' energy: -159.064 flat angles C4'-P-C4' energy: -177.946 flat angles P-C4'-P energy: -101.679 tors. eta vs tors. theta energy: -233.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -2485.774736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.774736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.774736 (E_RNA) where: Base-Base interactions energy: -1733.934 where: short stacking energy: -711.597 Base-Backbone interact. energy: -0.793 local terms energy: -751.046914 where: bonds (distance) C4'-P energy: -125.820 bonds (distance) P-C4' energy: -156.945 flat angles C4'-P-C4' energy: -176.474 flat angles P-C4'-P energy: -110.984 tors. eta vs tors. theta energy: -180.824 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: 5, replica: 5 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -2387.581218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.581218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.581218 (E_RNA) where: Base-Base interactions energy: -1614.758 where: short stacking energy: -690.022 Base-Backbone interact. energy: -1.050 local terms energy: -771.773094 where: bonds (distance) C4'-P energy: -148.635 bonds (distance) P-C4' energy: -157.271 flat angles C4'-P-C4' energy: -158.824 flat angles P-C4'-P energy: -117.081 tors. eta vs tors. theta energy: -189.961 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: 6, replica: 9 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -2179.865793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.865793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.865793 (E_RNA) where: Base-Base interactions energy: -1491.333 where: short stacking energy: -674.602 Base-Backbone interact. energy: 0.953 local terms energy: -689.486430 where: bonds (distance) C4'-P energy: -124.347 bonds (distance) P-C4' energy: -123.008 flat angles C4'-P-C4' energy: -161.530 flat angles P-C4'-P energy: -109.944 tors. eta vs tors. theta energy: -170.657 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: 7, replica: 8 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1941.433318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.433318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.433318 (E_RNA) where: Base-Base interactions energy: -1279.530 where: short stacking energy: -592.164 Base-Backbone interact. energy: 3.318 local terms energy: -665.221412 where: bonds (distance) C4'-P energy: -128.589 bonds (distance) P-C4' energy: -142.165 flat angles C4'-P-C4' energy: -147.730 flat angles P-C4'-P energy: -96.965 tors. eta vs tors. theta energy: -149.772 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: 8, replica: 2 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1646.287022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.287022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.287022 (E_RNA) where: Base-Base interactions energy: -1103.126 where: short stacking energy: -479.247 Base-Backbone interact. energy: 6.640 local terms energy: -549.800634 where: bonds (distance) C4'-P energy: -134.452 bonds (distance) P-C4' energy: -127.360 flat angles C4'-P-C4' energy: -127.204 flat angles P-C4'-P energy: -72.974 tors. eta vs tors. theta energy: -87.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -1152.093154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.093154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.093154 (E_RNA) where: Base-Base interactions energy: -668.133 where: short stacking energy: -350.691 Base-Backbone interact. energy: 1.612 local terms energy: -485.572033 where: bonds (distance) C4'-P energy: -112.142 bonds (distance) P-C4' energy: -135.969 flat angles C4'-P-C4' energy: -132.349 flat angles P-C4'-P energy: -73.711 tors. eta vs tors. theta energy: -31.401 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: 3 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -925.916071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.916071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.916071 (E_RNA) where: Base-Base interactions energy: -493.776 where: short stacking energy: -302.628 Base-Backbone interact. energy: 1.704 local terms energy: -433.844436 where: bonds (distance) C4'-P energy: -101.444 bonds (distance) P-C4' energy: -139.629 flat angles C4'-P-C4' energy: -103.089 flat angles P-C4'-P energy: -63.232 tors. eta vs tors. theta energy: -26.451 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: 1, replica: 6 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -2965.715811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.715811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.715811 (E_RNA) where: Base-Base interactions energy: -2060.137 where: short stacking energy: -913.282 Base-Backbone interact. energy: -1.461 local terms energy: -904.118078 where: bonds (distance) C4'-P energy: -162.036 bonds (distance) P-C4' energy: -155.871 flat angles C4'-P-C4' energy: -188.784 flat angles P-C4'-P energy: -136.735 tors. eta vs tors. theta energy: -260.692 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: 2, replica: 7 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -2828.646874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.646874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.646874 (E_RNA) where: Base-Base interactions energy: -1960.433 where: short stacking energy: -827.990 Base-Backbone interact. energy: 0.069 local terms energy: -868.282914 where: bonds (distance) C4'-P energy: -143.166 bonds (distance) P-C4' energy: -165.895 flat angles C4'-P-C4' energy: -187.025 flat angles P-C4'-P energy: -129.627 tors. eta vs tors. theta energy: -242.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -2765.685342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.685342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.685342 (E_RNA) where: Base-Base interactions energy: -1928.131 where: short stacking energy: -819.871 Base-Backbone interact. energy: -2.264 local terms energy: -835.290655 where: bonds (distance) C4'-P energy: -151.363 bonds (distance) P-C4' energy: -145.364 flat angles C4'-P-C4' energy: -183.322 flat angles P-C4'-P energy: -120.535 tors. eta vs tors. theta energy: -234.707 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: 275 Temperature: 1.050000 Total energy: -2500.332481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.332481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.332481 (E_RNA) where: Base-Base interactions energy: -1758.490 where: short stacking energy: -731.086 Base-Backbone interact. energy: -3.258 local terms energy: -738.584812 where: bonds (distance) C4'-P energy: -134.166 bonds (distance) P-C4' energy: -148.827 flat angles C4'-P-C4' energy: -176.061 flat angles P-C4'-P energy: -88.033 tors. eta vs tors. theta energy: -191.497 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: 5 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -2412.738706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.738706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.738706 (E_RNA) where: Base-Base interactions energy: -1636.070 where: short stacking energy: -701.925 Base-Backbone interact. energy: 0.682 local terms energy: -777.350257 where: bonds (distance) C4'-P energy: -141.392 bonds (distance) P-C4' energy: -148.246 flat angles C4'-P-C4' energy: -182.115 flat angles P-C4'-P energy: -101.466 tors. eta vs tors. theta energy: -204.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -2251.916399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.916399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.916399 (E_RNA) where: Base-Base interactions energy: -1555.658 where: short stacking energy: -694.889 Base-Backbone interact. energy: -1.393 local terms energy: -694.865037 where: bonds (distance) C4'-P energy: -121.605 bonds (distance) P-C4' energy: -140.989 flat angles C4'-P-C4' energy: -171.008 flat angles P-C4'-P energy: -82.898 tors. eta vs tors. theta energy: -178.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -2008.914201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.914201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.914201 (E_RNA) where: Base-Base interactions energy: -1349.132 where: short stacking energy: -627.169 Base-Backbone interact. energy: -3.967 local terms energy: -655.815895 where: bonds (distance) C4'-P energy: -133.248 bonds (distance) P-C4' energy: -124.061 flat angles C4'-P-C4' energy: -141.895 flat angles P-C4'-P energy: -88.719 tors. eta vs tors. theta energy: -167.893 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: 8, replica: 2 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1638.592699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.592699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.592699 (E_RNA) where: Base-Base interactions energy: -1065.414 where: short stacking energy: -481.087 Base-Backbone interact. energy: -1.052 local terms energy: -572.126649 where: bonds (distance) C4'-P energy: -117.752 bonds (distance) P-C4' energy: -117.165 flat angles C4'-P-C4' energy: -136.409 flat angles P-C4'-P energy: -103.471 tors. eta vs tors. theta energy: -97.330 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: 9, replica: 1 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -1143.799452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.799452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.799452 (E_RNA) where: Base-Base interactions energy: -681.737 where: short stacking energy: -342.968 Base-Backbone interact. energy: -3.767 local terms energy: -458.295128 where: bonds (distance) C4'-P energy: -127.344 bonds (distance) P-C4' energy: -119.750 flat angles C4'-P-C4' energy: -116.535 flat angles P-C4'-P energy: -65.299 tors. eta vs tors. theta energy: -29.368 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: 10, replica: 3 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -928.104464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.104464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.104464 (E_RNA) where: Base-Base interactions energy: -477.777 where: short stacking energy: -236.758 Base-Backbone interact. energy: 4.677 local terms energy: -455.004014 where: bonds (distance) C4'-P energy: -131.149 bonds (distance) P-C4' energy: -128.719 flat angles C4'-P-C4' energy: -109.959 flat angles P-C4'-P energy: -105.064 tors. eta vs tors. theta energy: 19.886 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: 6 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -2932.721715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.721715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.721715 (E_RNA) where: Base-Base interactions energy: -2008.786 where: short stacking energy: -861.080 Base-Backbone interact. energy: -2.985 local terms energy: -920.950536 where: bonds (distance) C4'-P energy: -168.329 bonds (distance) P-C4' energy: -163.289 flat angles C4'-P-C4' energy: -195.158 flat angles P-C4'-P energy: -134.720 tors. eta vs tors. theta energy: -259.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -2836.408572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.408572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.408572 (E_RNA) where: Base-Base interactions energy: -1949.280 where: short stacking energy: -851.562 Base-Backbone interact. energy: -1.550 local terms energy: -885.579174 where: bonds (distance) C4'-P energy: -153.396 bonds (distance) P-C4' energy: -172.555 flat angles C4'-P-C4' energy: -185.357 flat angles P-C4'-P energy: -124.930 tors. eta vs tors. theta energy: -249.342 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: 3, replica: 10 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2762.349189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.349189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.349189 (E_RNA) where: Base-Base interactions energy: -1937.933 where: short stacking energy: -834.786 Base-Backbone interact. energy: 0.734 local terms energy: -825.150847 where: bonds (distance) C4'-P energy: -144.624 bonds (distance) P-C4' energy: -145.613 flat angles C4'-P-C4' energy: -184.773 flat angles P-C4'-P energy: -112.030 tors. eta vs tors. theta energy: -238.111 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: 4, replica: 4 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -2572.012125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.012125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.012125 (E_RNA) where: Base-Base interactions energy: -1797.519 where: short stacking energy: -763.356 Base-Backbone interact. energy: -2.277 local terms energy: -772.216454 where: bonds (distance) C4'-P energy: -147.515 bonds (distance) P-C4' energy: -133.486 flat angles C4'-P-C4' energy: -169.847 flat angles P-C4'-P energy: -113.962 tors. eta vs tors. theta energy: -207.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -2384.523603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.523603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.523603 (E_RNA) where: Base-Base interactions energy: -1663.182 where: short stacking energy: -708.967 Base-Backbone interact. energy: -0.061 local terms energy: -721.280796 where: bonds (distance) C4'-P energy: -141.259 bonds (distance) P-C4' energy: -134.862 flat angles C4'-P-C4' energy: -159.117 flat angles P-C4'-P energy: -106.290 tors. eta vs tors. theta energy: -179.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -2261.126572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.126572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.126572 (E_RNA) where: Base-Base interactions energy: -1543.651 where: short stacking energy: -674.770 Base-Backbone interact. energy: -1.991 local terms energy: -715.484322 where: bonds (distance) C4'-P energy: -156.427 bonds (distance) P-C4' energy: -144.006 flat angles C4'-P-C4' energy: -156.374 flat angles P-C4'-P energy: -103.292 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: 7, replica: 8 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -2002.381635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.381635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.381635 (E_RNA) where: Base-Base interactions energy: -1332.196 where: short stacking energy: -606.160 Base-Backbone interact. energy: 1.506 local terms energy: -671.691232 where: bonds (distance) C4'-P energy: -144.845 bonds (distance) P-C4' energy: -146.664 flat angles C4'-P-C4' energy: -152.659 flat angles P-C4'-P energy: -76.080 tors. eta vs tors. theta energy: -151.444 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: 2 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1529.550746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.550746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.550746 (E_RNA) where: Base-Base interactions energy: -951.567 where: short stacking energy: -440.282 Base-Backbone interact. energy: -2.171 local terms energy: -575.813415 where: bonds (distance) C4'-P energy: -124.166 bonds (distance) P-C4' energy: -144.572 flat angles C4'-P-C4' energy: -137.336 flat angles P-C4'-P energy: -93.286 tors. eta vs tors. theta energy: -76.454 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: 1 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -1148.070777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.070777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.070777 (E_RNA) where: Base-Base interactions energy: -661.500 where: short stacking energy: -302.220 Base-Backbone interact. energy: 4.190 local terms energy: -490.761399 where: bonds (distance) C4'-P energy: -135.357 bonds (distance) P-C4' energy: -136.808 flat angles C4'-P-C4' energy: -119.758 flat angles P-C4'-P energy: -66.126 tors. eta vs tors. theta energy: -32.713 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: 10, replica: 3 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -1036.472995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.472995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.472995 (E_RNA) where: Base-Base interactions energy: -610.428 where: short stacking energy: -332.510 Base-Backbone interact. energy: -0.757 local terms energy: -425.288010 where: bonds (distance) C4'-P energy: -132.376 bonds (distance) P-C4' energy: -107.167 flat angles C4'-P-C4' energy: -101.878 flat angles P-C4'-P energy: -59.438 tors. eta vs tors. theta energy: -24.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -2925.723493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.723493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.723493 (E_RNA) where: Base-Base interactions energy: -2043.539 where: short stacking energy: -853.028 Base-Backbone interact. energy: -5.095 local terms energy: -877.088989 where: bonds (distance) C4'-P energy: -158.503 bonds (distance) P-C4' energy: -154.348 flat angles C4'-P-C4' energy: -184.818 flat angles P-C4'-P energy: -127.159 tors. eta vs tors. theta energy: -252.262 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: 10 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -2785.976356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.976356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.976356 (E_RNA) where: Base-Base interactions energy: -1919.955 where: short stacking energy: -828.501 Base-Backbone interact. energy: -6.039 local terms energy: -859.982553 where: bonds (distance) C4'-P energy: -160.609 bonds (distance) P-C4' energy: -158.165 flat angles C4'-P-C4' energy: -180.165 flat angles P-C4'-P energy: -124.140 tors. eta vs tors. theta energy: -236.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -2829.299245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.299245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.299245 (E_RNA) where: Base-Base interactions energy: -1966.545 where: short stacking energy: -836.016 Base-Backbone interact. energy: -0.330 local terms energy: -862.424240 where: bonds (distance) C4'-P energy: -145.163 bonds (distance) P-C4' energy: -167.304 flat angles C4'-P-C4' energy: -178.010 flat angles P-C4'-P energy: -123.534 tors. eta vs tors. theta energy: -248.413 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: 4 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -2519.398607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.398607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.398607 (E_RNA) where: Base-Base interactions energy: -1749.293 where: short stacking energy: -730.953 Base-Backbone interact. energy: -2.968 local terms energy: -767.137541 where: bonds (distance) C4'-P energy: -132.152 bonds (distance) P-C4' energy: -165.800 flat angles C4'-P-C4' energy: -158.694 flat angles P-C4'-P energy: -115.854 tors. eta vs tors. theta energy: -194.638 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: 5, replica: 5 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -2374.211788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.211788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.211788 (E_RNA) where: Base-Base interactions energy: -1624.798 where: short stacking energy: -688.177 Base-Backbone interact. energy: -0.109 local terms energy: -749.304105 where: bonds (distance) C4'-P energy: -155.749 bonds (distance) P-C4' energy: -144.197 flat angles C4'-P-C4' energy: -151.201 flat angles P-C4'-P energy: -115.530 tors. eta vs tors. theta energy: -182.627 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: 6, replica: 9 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -2208.615012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.615012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.615012 (E_RNA) where: Base-Base interactions energy: -1531.592 where: short stacking energy: -676.307 Base-Backbone interact. energy: -4.813 local terms energy: -672.210124 where: bonds (distance) C4'-P energy: -128.987 bonds (distance) P-C4' energy: -132.476 flat angles C4'-P-C4' energy: -161.574 flat angles P-C4'-P energy: -92.392 tors. eta vs tors. theta energy: -156.781 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: 7, replica: 8 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1987.433131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.433131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.433131 (E_RNA) where: Base-Base interactions energy: -1332.202 where: short stacking energy: -616.890 Base-Backbone interact. energy: -3.021 local terms energy: -652.210273 where: bonds (distance) C4'-P energy: -130.640 bonds (distance) P-C4' energy: -143.555 flat angles C4'-P-C4' energy: -140.002 flat angles P-C4'-P energy: -89.719 tors. eta vs tors. theta energy: -148.294 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: 8, replica: 2 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1601.716337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.716337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.716337 (E_RNA) where: Base-Base interactions energy: -1021.548 where: short stacking energy: -456.010 Base-Backbone interact. energy: -1.929 local terms energy: -578.239717 where: bonds (distance) C4'-P energy: -126.847 bonds (distance) P-C4' energy: -128.713 flat angles C4'-P-C4' energy: -132.876 flat angles P-C4'-P energy: -85.808 tors. eta vs tors. theta energy: -103.996 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: 9, replica: 1 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -1072.662808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.662808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.662808 (E_RNA) where: Base-Base interactions energy: -582.552 where: short stacking energy: -272.261 Base-Backbone interact. energy: 1.075 local terms energy: -491.185724 where: bonds (distance) C4'-P energy: -132.435 bonds (distance) P-C4' energy: -133.782 flat angles C4'-P-C4' energy: -131.593 flat angles P-C4'-P energy: -63.681 tors. eta vs tors. theta energy: -29.694 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: 3 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -992.902645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.902645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.902645 (E_RNA) where: Base-Base interactions energy: -538.442 where: short stacking energy: -287.422 Base-Backbone interact. energy: 2.630 local terms energy: -457.089967 where: bonds (distance) C4'-P energy: -127.458 bonds (distance) P-C4' energy: -140.804 flat angles C4'-P-C4' energy: -118.624 flat angles P-C4'-P energy: -66.318 tors. eta vs tors. theta energy: -3.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -2949.691570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.691570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.691570 (E_RNA) where: Base-Base interactions energy: -2033.042 where: short stacking energy: -897.894 Base-Backbone interact. energy: -3.306 local terms energy: -913.343437 where: bonds (distance) C4'-P energy: -167.884 bonds (distance) P-C4' energy: -162.630 flat angles C4'-P-C4' energy: -197.006 flat angles P-C4'-P energy: -123.653 tors. eta vs tors. theta energy: -262.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -2817.462603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.462603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.462603 (E_RNA) where: Base-Base interactions energy: -1993.371 where: short stacking energy: -855.499 Base-Backbone interact. energy: -7.602 local terms energy: -816.489521 where: bonds (distance) C4'-P energy: -141.871 bonds (distance) P-C4' energy: -148.815 flat angles C4'-P-C4' energy: -184.615 flat angles P-C4'-P energy: -112.298 tors. eta vs tors. theta energy: -228.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2743.869600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.869600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.869600 (E_RNA) where: Base-Base interactions energy: -1907.189 where: short stacking energy: -827.467 Base-Backbone interact. energy: -4.127 local terms energy: -832.553671 where: bonds (distance) C4'-P energy: -152.576 bonds (distance) P-C4' energy: -154.292 flat angles C4'-P-C4' energy: -171.509 flat angles P-C4'-P energy: -113.849 tors. eta vs tors. theta energy: -240.328 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: 4 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -2538.320417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.320417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.320417 (E_RNA) where: Base-Base interactions energy: -1742.332 where: short stacking energy: -721.807 Base-Backbone interact. energy: -4.935 local terms energy: -791.053025 where: bonds (distance) C4'-P energy: -153.355 bonds (distance) P-C4' energy: -151.235 flat angles C4'-P-C4' energy: -175.770 flat angles P-C4'-P energy: -116.312 tors. eta vs tors. theta energy: -194.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -2403.434311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.434311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.434311 (E_RNA) where: Base-Base interactions energy: -1684.238 where: short stacking energy: -722.909 Base-Backbone interact. energy: 0.346 local terms energy: -719.542050 where: bonds (distance) C4'-P energy: -133.321 bonds (distance) P-C4' energy: -133.982 flat angles C4'-P-C4' energy: -162.020 flat angles P-C4'-P energy: -94.328 tors. eta vs tors. theta energy: -195.891 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: 9 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -2199.537959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.537959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.537959 (E_RNA) where: Base-Base interactions energy: -1499.272 where: short stacking energy: -662.653 Base-Backbone interact. energy: -2.090 local terms energy: -698.175253 where: bonds (distance) C4'-P energy: -140.174 bonds (distance) P-C4' energy: -159.887 flat angles C4'-P-C4' energy: -150.093 flat angles P-C4'-P energy: -86.860 tors. eta vs tors. theta energy: -161.161 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: 7, replica: 8 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -2020.430671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.430671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.430671 (E_RNA) where: Base-Base interactions energy: -1346.716 where: short stacking energy: -599.606 Base-Backbone interact. energy: -3.682 local terms energy: -670.032516 where: bonds (distance) C4'-P energy: -126.455 bonds (distance) P-C4' energy: -149.255 flat angles C4'-P-C4' energy: -150.323 flat angles P-C4'-P energy: -88.944 tors. eta vs tors. theta energy: -155.054 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: 8, replica: 2 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1658.688185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.688185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.688185 (E_RNA) where: Base-Base interactions energy: -1104.580 where: short stacking energy: -505.606 Base-Backbone interact. energy: 1.883 local terms energy: -555.991212 where: bonds (distance) C4'-P energy: -125.590 bonds (distance) P-C4' energy: -130.287 flat angles C4'-P-C4' energy: -132.425 flat angles P-C4'-P energy: -81.146 tors. eta vs tors. theta energy: -86.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -1089.792701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.792701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.792701 (E_RNA) where: Base-Base interactions energy: -602.912 where: short stacking energy: -326.034 Base-Backbone interact. energy: -0.220 local terms energy: -486.660641 where: bonds (distance) C4'-P energy: -126.634 bonds (distance) P-C4' energy: -139.074 flat angles C4'-P-C4' energy: -109.974 flat angles P-C4'-P energy: -85.766 tors. eta vs tors. theta energy: -25.214 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: 3 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -944.252485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.252485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.252485 (E_RNA) where: Base-Base interactions energy: -535.084 where: short stacking energy: -273.637 Base-Backbone interact. energy: 1.919 local terms energy: -411.087905 where: bonds (distance) C4'-P energy: -111.328 bonds (distance) P-C4' energy: -141.095 flat angles C4'-P-C4' energy: -74.793 flat angles P-C4'-P energy: -69.374 tors. eta vs tors. theta energy: -14.498 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: 6 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -2923.592312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.592312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.592312 (E_RNA) where: Base-Base interactions energy: -2019.333 where: short stacking energy: -905.406 Base-Backbone interact. energy: 0.432 local terms energy: -904.691085 where: bonds (distance) C4'-P energy: -159.883 bonds (distance) P-C4' energy: -160.824 flat angles C4'-P-C4' energy: -190.909 flat angles P-C4'-P energy: -133.216 tors. eta vs tors. theta energy: -259.858 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: 2, replica: 10 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -2828.842335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.842335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.842335 (E_RNA) where: Base-Base interactions energy: -1947.144 where: short stacking energy: -866.912 Base-Backbone interact. energy: -1.095 local terms energy: -880.603394 where: bonds (distance) C4'-P energy: -168.808 bonds (distance) P-C4' energy: -167.787 flat angles C4'-P-C4' energy: -185.210 flat angles P-C4'-P energy: -119.207 tors. eta vs tors. theta energy: -239.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -2741.686754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.686754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.686754 (E_RNA) where: Base-Base interactions energy: -1898.458 where: short stacking energy: -839.491 Base-Backbone interact. energy: -4.300 local terms energy: -838.928735 where: bonds (distance) C4'-P energy: -157.945 bonds (distance) P-C4' energy: -149.091 flat angles C4'-P-C4' energy: -176.004 flat angles P-C4'-P energy: -118.365 tors. eta vs tors. theta energy: -237.524 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: 4, replica: 4 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -2547.248551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.248551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.248551 (E_RNA) where: Base-Base interactions energy: -1777.943 where: short stacking energy: -749.109 Base-Backbone interact. energy: -2.372 local terms energy: -766.933346 where: bonds (distance) C4'-P energy: -138.255 bonds (distance) P-C4' energy: -158.035 flat angles C4'-P-C4' energy: -155.810 flat angles P-C4'-P energy: -109.245 tors. eta vs tors. theta energy: -205.588 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: 5, replica: 5 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -2352.811790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.811790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.811790 (E_RNA) where: Base-Base interactions energy: -1626.320 where: short stacking energy: -735.876 Base-Backbone interact. energy: 0.022 local terms energy: -726.513810 where: bonds (distance) C4'-P energy: -134.119 bonds (distance) P-C4' energy: -128.815 flat angles C4'-P-C4' energy: -174.427 flat angles P-C4'-P energy: -97.380 tors. eta vs tors. theta energy: -191.773 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: 6, replica: 9 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -2122.468134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.468134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.468134 (E_RNA) where: Base-Base interactions energy: -1452.611 where: short stacking energy: -636.968 Base-Backbone interact. energy: -1.321 local terms energy: -668.536398 where: bonds (distance) C4'-P energy: -152.629 bonds (distance) P-C4' energy: -126.435 flat angles C4'-P-C4' energy: -139.870 flat angles P-C4'-P energy: -98.232 tors. eta vs tors. theta energy: -151.371 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: 8 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -2027.014396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.014396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.014396 (E_RNA) where: Base-Base interactions energy: -1339.211 where: short stacking energy: -598.337 Base-Backbone interact. energy: -1.894 local terms energy: -685.909779 where: bonds (distance) C4'-P energy: -140.317 bonds (distance) P-C4' energy: -156.504 flat angles C4'-P-C4' energy: -135.131 flat angles P-C4'-P energy: -96.091 tors. eta vs tors. theta energy: -157.867 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: 2 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1634.874405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.874405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.874405 (E_RNA) where: Base-Base interactions energy: -1068.126 where: short stacking energy: -494.936 Base-Backbone interact. energy: 1.872 local terms energy: -568.620500 where: bonds (distance) C4'-P energy: -129.214 bonds (distance) P-C4' energy: -145.039 flat angles C4'-P-C4' energy: -129.863 flat angles P-C4'-P energy: -68.914 tors. eta vs tors. theta energy: -95.591 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: 1 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -1150.455606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.455606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.455606 (E_RNA) where: Base-Base interactions energy: -622.313 where: short stacking energy: -312.934 Base-Backbone interact. energy: -0.357 local terms energy: -527.786392 where: bonds (distance) C4'-P energy: -135.521 bonds (distance) P-C4' energy: -138.555 flat angles C4'-P-C4' energy: -126.265 flat angles P-C4'-P energy: -91.438 tors. eta vs tors. theta energy: -36.008 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: 10, replica: 3 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -991.761809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.761809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.761809 (E_RNA) where: Base-Base interactions energy: -530.720 where: short stacking energy: -292.190 Base-Backbone interact. energy: 4.462 local terms energy: -465.504063 where: bonds (distance) C4'-P energy: -136.021 bonds (distance) P-C4' energy: -122.040 flat angles C4'-P-C4' energy: -117.192 flat angles P-C4'-P energy: -59.696 tors. eta vs tors. theta energy: -30.555 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: 6 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -2921.992469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.992469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.992469 (E_RNA) where: Base-Base interactions energy: -2030.679 where: short stacking energy: -876.439 Base-Backbone interact. energy: -2.788 local terms energy: -888.525549 where: bonds (distance) C4'-P energy: -143.327 bonds (distance) P-C4' energy: -156.075 flat angles C4'-P-C4' energy: -186.992 flat angles P-C4'-P energy: -134.553 tors. eta vs tors. theta energy: -267.579 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: 2, replica: 10 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2840.219053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.219053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.219053 (E_RNA) where: Base-Base interactions energy: -1983.862 where: short stacking energy: -806.805 Base-Backbone interact. energy: -4.807 local terms energy: -851.549698 where: bonds (distance) C4'-P energy: -160.073 bonds (distance) P-C4' energy: -157.852 flat angles C4'-P-C4' energy: -189.616 flat angles P-C4'-P energy: -99.753 tors. eta vs tors. theta energy: -244.256 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: 3, replica: 7 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -2776.166182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.166182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.166182 (E_RNA) where: Base-Base interactions energy: -1915.035 where: short stacking energy: -838.687 Base-Backbone interact. energy: -2.705 local terms energy: -858.425677 where: bonds (distance) C4'-P energy: -156.342 bonds (distance) P-C4' energy: -154.113 flat angles C4'-P-C4' energy: -179.205 flat angles P-C4'-P energy: -123.428 tors. eta vs tors. theta energy: -245.337 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: 4, replica: 4 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -2547.952732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.952732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.952732 (E_RNA) where: Base-Base interactions energy: -1783.895 where: short stacking energy: -763.033 Base-Backbone interact. energy: -2.879 local terms energy: -761.179381 where: bonds (distance) C4'-P energy: -131.815 bonds (distance) P-C4' energy: -140.867 flat angles C4'-P-C4' energy: -163.635 flat angles P-C4'-P energy: -116.750 tors. eta vs tors. theta energy: -208.113 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: 5 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -2395.618546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.618546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.618546 (E_RNA) where: Base-Base interactions energy: -1618.808 where: short stacking energy: -727.795 Base-Backbone interact. energy: 0.085 local terms energy: -776.895396 where: bonds (distance) C4'-P energy: -150.817 bonds (distance) P-C4' energy: -145.784 flat angles C4'-P-C4' energy: -157.367 flat angles P-C4'-P energy: -114.499 tors. eta vs tors. theta energy: -208.428 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: 9 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -2160.347734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.347734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.347734 (E_RNA) where: Base-Base interactions energy: -1477.764 where: short stacking energy: -630.964 Base-Backbone interact. energy: 2.485 local terms energy: -685.068554 where: bonds (distance) C4'-P energy: -130.027 bonds (distance) P-C4' energy: -145.219 flat angles C4'-P-C4' energy: -169.507 flat angles P-C4'-P energy: -85.413 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: 7, replica: 8 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -2023.886305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.886305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.886305 (E_RNA) where: Base-Base interactions energy: -1355.202 where: short stacking energy: -607.713 Base-Backbone interact. energy: 0.990 local terms energy: -669.674377 where: bonds (distance) C4'-P energy: -119.228 bonds (distance) P-C4' energy: -148.966 flat angles C4'-P-C4' energy: -167.865 flat angles P-C4'-P energy: -79.825 tors. eta vs tors. theta energy: -153.791 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: 8, replica: 2 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1603.180585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.180585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.180585 (E_RNA) where: Base-Base interactions energy: -1025.918 where: short stacking energy: -475.285 Base-Backbone interact. energy: 0.549 local terms energy: -577.811573 where: bonds (distance) C4'-P energy: -131.348 bonds (distance) P-C4' energy: -128.011 flat angles C4'-P-C4' energy: -126.730 flat angles P-C4'-P energy: -88.732 tors. eta vs tors. theta energy: -102.990 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: 1 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -1142.540521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.540521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.540521 (E_RNA) where: Base-Base interactions energy: -659.814 where: short stacking energy: -347.826 Base-Backbone interact. energy: 4.411 local terms energy: -487.137259 where: bonds (distance) C4'-P energy: -129.289 bonds (distance) P-C4' energy: -131.785 flat angles C4'-P-C4' energy: -107.770 flat angles P-C4'-P energy: -87.308 tors. eta vs tors. theta energy: -30.985 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: 10, replica: 3 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -952.457848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.457848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.457848 (E_RNA) where: Base-Base interactions energy: -479.196 where: short stacking energy: -294.624 Base-Backbone interact. energy: 1.787 local terms energy: -475.049365 where: bonds (distance) C4'-P energy: -126.927 bonds (distance) P-C4' energy: -141.757 flat angles C4'-P-C4' energy: -116.443 flat angles P-C4'-P energy: -63.151 tors. eta vs tors. theta energy: -26.771 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: 6 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -2932.620976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.620976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.620976 (E_RNA) where: Base-Base interactions energy: -2059.828 where: short stacking energy: -890.602 Base-Backbone interact. energy: 3.030 local terms energy: -875.822886 where: bonds (distance) C4'-P energy: -151.939 bonds (distance) P-C4' energy: -155.658 flat angles C4'-P-C4' energy: -182.676 flat angles P-C4'-P energy: -126.703 tors. eta vs tors. theta energy: -258.846 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: 10 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -2809.760974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.760974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.760974 (E_RNA) where: Base-Base interactions energy: -1948.415 where: short stacking energy: -817.137 Base-Backbone interact. energy: -5.651 local terms energy: -855.694645 where: bonds (distance) C4'-P energy: -156.820 bonds (distance) P-C4' energy: -160.807 flat angles C4'-P-C4' energy: -175.282 flat angles P-C4'-P energy: -124.975 tors. eta vs tors. theta energy: -237.810 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: 7 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -2721.137636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.137636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.137636 (E_RNA) where: Base-Base interactions energy: -1880.291 where: short stacking energy: -827.386 Base-Backbone interact. energy: -5.705 local terms energy: -835.142560 where: bonds (distance) C4'-P energy: -147.896 bonds (distance) P-C4' energy: -159.037 flat angles C4'-P-C4' energy: -180.563 flat angles P-C4'-P energy: -111.558 tors. eta vs tors. theta energy: -236.089 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: 281 Temperature: 1.050000 Total energy: -2559.295428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.295428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.295428 (E_RNA) where: Base-Base interactions energy: -1786.893 where: short stacking energy: -751.383 Base-Backbone interact. energy: -0.921 local terms energy: -771.481271 where: bonds (distance) C4'-P energy: -136.090 bonds (distance) P-C4' energy: -145.356 flat angles C4'-P-C4' energy: -175.897 flat angles P-C4'-P energy: -112.965 tors. eta vs tors. theta energy: -201.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -2410.274215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.274215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.274215 (E_RNA) where: Base-Base interactions energy: -1644.569 where: short stacking energy: -723.230 Base-Backbone interact. energy: 0.295 local terms energy: -766.000847 where: bonds (distance) C4'-P energy: -139.098 bonds (distance) P-C4' energy: -151.456 flat angles C4'-P-C4' energy: -167.449 flat angles P-C4'-P energy: -106.780 tors. eta vs tors. theta energy: -201.218 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: 6, replica: 9 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -2176.405146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.405146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.405146 (E_RNA) where: Base-Base interactions energy: -1510.469 where: short stacking energy: -659.410 Base-Backbone interact. energy: -0.579 local terms energy: -665.357386 where: bonds (distance) C4'-P energy: -135.149 bonds (distance) P-C4' energy: -132.544 flat angles C4'-P-C4' energy: -143.790 flat angles P-C4'-P energy: -97.431 tors. eta vs tors. theta energy: -156.443 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: 7, replica: 8 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -2128.756693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.756693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.756693 (E_RNA) where: Base-Base interactions energy: -1417.891 where: short stacking energy: -631.290 Base-Backbone interact. energy: -5.216 local terms energy: -705.649765 where: bonds (distance) C4'-P energy: -123.138 bonds (distance) P-C4' energy: -154.558 flat angles C4'-P-C4' energy: -164.433 flat angles P-C4'-P energy: -96.791 tors. eta vs tors. theta energy: -166.730 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: 2 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -1568.913464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.913464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.913464 (E_RNA) where: Base-Base interactions energy: -1030.019 where: short stacking energy: -444.266 Base-Backbone interact. energy: -0.027 local terms energy: -538.868017 where: bonds (distance) C4'-P energy: -137.955 bonds (distance) P-C4' energy: -121.775 flat angles C4'-P-C4' energy: -122.814 flat angles P-C4'-P energy: -80.902 tors. eta vs tors. theta energy: -75.422 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: 9, replica: 1 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -1145.079490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.079490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.079490 (E_RNA) where: Base-Base interactions energy: -661.012 where: short stacking energy: -327.693 Base-Backbone interact. energy: 0.950 local terms energy: -485.017158 where: bonds (distance) C4'-P energy: -135.006 bonds (distance) P-C4' energy: -133.645 flat angles C4'-P-C4' energy: -124.452 flat angles P-C4'-P energy: -66.736 tors. eta vs tors. theta energy: -25.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -923.506281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.506281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.506281 (E_RNA) where: Base-Base interactions energy: -465.748 where: short stacking energy: -258.273 Base-Backbone interact. energy: -1.585 local terms energy: -456.173121 where: bonds (distance) C4'-P energy: -123.321 bonds (distance) P-C4' energy: -143.155 flat angles C4'-P-C4' energy: -119.110 flat angles P-C4'-P energy: -67.156 tors. eta vs tors. theta energy: -3.431 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: 6 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -2932.574185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.574185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.574185 (E_RNA) where: Base-Base interactions energy: -2017.506 where: short stacking energy: -872.374 Base-Backbone interact. energy: -4.171 local terms energy: -910.896772 where: bonds (distance) C4'-P energy: -171.012 bonds (distance) P-C4' energy: -165.148 flat angles C4'-P-C4' energy: -189.326 flat angles P-C4'-P energy: -127.825 tors. eta vs tors. theta energy: -257.586 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: 2, replica: 10 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2835.419633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.419633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.419633 (E_RNA) where: Base-Base interactions energy: -1960.414 where: short stacking energy: -841.406 Base-Backbone interact. energy: -3.762 local terms energy: -871.243998 where: bonds (distance) C4'-P energy: -164.331 bonds (distance) P-C4' energy: -174.773 flat angles C4'-P-C4' energy: -185.150 flat angles P-C4'-P energy: -121.565 tors. eta vs tors. theta energy: -225.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -2729.206732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.206732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.206732 (E_RNA) where: Base-Base interactions energy: -1865.572 where: short stacking energy: -820.208 Base-Backbone interact. energy: -4.213 local terms energy: -859.421490 where: bonds (distance) C4'-P energy: -150.974 bonds (distance) P-C4' energy: -168.520 flat angles C4'-P-C4' energy: -179.219 flat angles P-C4'-P energy: -120.739 tors. eta vs tors. theta energy: -239.971 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: 4 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -2521.133993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.133993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.133993 (E_RNA) where: Base-Base interactions energy: -1738.367 where: short stacking energy: -711.757 Base-Backbone interact. energy: -2.350 local terms energy: -780.417699 where: bonds (distance) C4'-P energy: -144.041 bonds (distance) P-C4' energy: -147.151 flat angles C4'-P-C4' energy: -176.290 flat angles P-C4'-P energy: -118.906 tors. eta vs tors. theta energy: -194.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -2336.504636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.504636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.504636 (E_RNA) where: Base-Base interactions energy: -1595.969 where: short stacking energy: -708.193 Base-Backbone interact. energy: 1.388 local terms energy: -741.923779 where: bonds (distance) C4'-P energy: -144.889 bonds (distance) P-C4' energy: -137.145 flat angles C4'-P-C4' energy: -150.641 flat angles P-C4'-P energy: -113.011 tors. eta vs tors. theta energy: -196.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -2152.669303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.669303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.669303 (E_RNA) where: Base-Base interactions energy: -1469.883 where: short stacking energy: -649.655 Base-Backbone interact. energy: -4.191 local terms energy: -678.595132 where: bonds (distance) C4'-P energy: -126.840 bonds (distance) P-C4' energy: -139.555 flat angles C4'-P-C4' energy: -158.018 flat angles P-C4'-P energy: -95.074 tors. eta vs tors. theta energy: -159.109 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: 7, replica: 8 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -2025.701789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.701789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.701789 (E_RNA) where: Base-Base interactions energy: -1354.924 where: short stacking energy: -608.810 Base-Backbone interact. energy: -2.328 local terms energy: -668.449281 where: bonds (distance) C4'-P energy: -123.885 bonds (distance) P-C4' energy: -151.120 flat angles C4'-P-C4' energy: -141.026 flat angles P-C4'-P energy: -93.772 tors. eta vs tors. theta energy: -158.646 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: 2 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1577.408705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.408705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.408705 (E_RNA) where: Base-Base interactions energy: -996.811 where: short stacking energy: -459.215 Base-Backbone interact. energy: -5.134 local terms energy: -575.464143 where: bonds (distance) C4'-P energy: -129.857 bonds (distance) P-C4' energy: -150.781 flat angles C4'-P-C4' energy: -132.351 flat angles P-C4'-P energy: -69.281 tors. eta vs tors. theta energy: -93.195 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: 9, replica: 1 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -1079.576085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.576085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.576085 (E_RNA) where: Base-Base interactions energy: -574.869 where: short stacking energy: -297.407 Base-Backbone interact. energy: 9.073 local terms energy: -513.780817 where: bonds (distance) C4'-P energy: -120.399 bonds (distance) P-C4' energy: -139.163 flat angles C4'-P-C4' energy: -133.259 flat angles P-C4'-P energy: -92.073 tors. eta vs tors. theta energy: -28.888 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: 3 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -919.169076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.169076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.169076 (E_RNA) where: Base-Base interactions energy: -478.597 where: short stacking energy: -272.194 Base-Backbone interact. energy: -1.640 local terms energy: -438.932007 where: bonds (distance) C4'-P energy: -116.641 bonds (distance) P-C4' energy: -137.494 flat angles C4'-P-C4' energy: -123.891 flat angles P-C4'-P energy: -59.778 tors. eta vs tors. theta energy: -1.128 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: 6 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -2918.711182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.711182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.711182 (E_RNA) where: Base-Base interactions energy: -2025.500 where: short stacking energy: -890.916 Base-Backbone interact. energy: -3.392 local terms energy: -889.819482 where: bonds (distance) C4'-P energy: -159.534 bonds (distance) P-C4' energy: -159.749 flat angles C4'-P-C4' energy: -177.733 flat angles P-C4'-P energy: -139.849 tors. eta vs tors. theta energy: -252.954 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: 10 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2833.959162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.959162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.959162 (E_RNA) where: Base-Base interactions energy: -1981.664 where: short stacking energy: -843.136 Base-Backbone interact. energy: -5.170 local terms energy: -847.125857 where: bonds (distance) C4'-P energy: -147.563 bonds (distance) P-C4' energy: -162.098 flat angles C4'-P-C4' energy: -182.310 flat angles P-C4'-P energy: -123.090 tors. eta vs tors. theta energy: -232.064 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: 3, replica: 7 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -2745.740863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.740863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.740863 (E_RNA) where: Base-Base interactions energy: -1894.772 where: short stacking energy: -829.604 Base-Backbone interact. energy: 0.398 local terms energy: -851.367005 where: bonds (distance) C4'-P energy: -157.164 bonds (distance) P-C4' energy: -153.527 flat angles C4'-P-C4' energy: -187.939 flat angles P-C4'-P energy: -110.007 tors. eta vs tors. theta energy: -242.730 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: 4, replica: 4 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -2539.929124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.929124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.929124 (E_RNA) where: Base-Base interactions energy: -1779.379 where: short stacking energy: -756.082 Base-Backbone interact. energy: -2.500 local terms energy: -758.050212 where: bonds (distance) C4'-P energy: -128.308 bonds (distance) P-C4' energy: -153.496 flat angles C4'-P-C4' energy: -184.181 flat angles P-C4'-P energy: -91.468 tors. eta vs tors. theta energy: -200.598 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: 5 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -2353.441701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.441701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.441701 (E_RNA) where: Base-Base interactions energy: -1624.740 where: short stacking energy: -700.672 Base-Backbone interact. energy: -3.800 local terms energy: -724.901782 where: bonds (distance) C4'-P energy: -138.090 bonds (distance) P-C4' energy: -147.960 flat angles C4'-P-C4' energy: -160.614 flat angles P-C4'-P energy: -86.700 tors. eta vs tors. theta energy: -191.538 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: 9 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -2244.336068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.336068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.336068 (E_RNA) where: Base-Base interactions energy: -1532.411 where: short stacking energy: -659.139 Base-Backbone interact. energy: -3.959 local terms energy: -707.965707 where: bonds (distance) C4'-P energy: -144.087 bonds (distance) P-C4' energy: -140.650 flat angles C4'-P-C4' energy: -158.667 flat angles P-C4'-P energy: -96.704 tors. eta vs tors. theta energy: -167.858 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: 7, replica: 8 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1986.853168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.853168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.853168 (E_RNA) where: Base-Base interactions energy: -1290.994 where: short stacking energy: -616.812 Base-Backbone interact. energy: -0.785 local terms energy: -695.074403 where: bonds (distance) C4'-P energy: -119.016 bonds (distance) P-C4' energy: -154.345 flat angles C4'-P-C4' energy: -147.343 flat angles P-C4'-P energy: -100.705 tors. eta vs tors. theta energy: -173.666 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: 8, replica: 2 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -1607.003464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.003464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.003464 (E_RNA) where: Base-Base interactions energy: -1037.251 where: short stacking energy: -465.544 Base-Backbone interact. energy: -2.449 local terms energy: -567.303327 where: bonds (distance) C4'-P energy: -119.267 bonds (distance) P-C4' energy: -126.142 flat angles C4'-P-C4' energy: -149.149 flat angles P-C4'-P energy: -83.819 tors. eta vs tors. theta energy: -88.926 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: 9, replica: 1 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -1165.474781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.474781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.474781 (E_RNA) where: Base-Base interactions energy: -650.963 where: short stacking energy: -315.064 Base-Backbone interact. energy: 4.949 local terms energy: -519.460473 where: bonds (distance) C4'-P energy: -124.883 bonds (distance) P-C4' energy: -155.443 flat angles C4'-P-C4' energy: -115.280 flat angles P-C4'-P energy: -78.690 tors. eta vs tors. theta energy: -45.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -878.511081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.511081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.511081 (E_RNA) where: Base-Base interactions energy: -440.467 where: short stacking energy: -281.826 Base-Backbone interact. energy: 1.791 local terms energy: -439.835028 where: bonds (distance) C4'-P energy: -134.490 bonds (distance) P-C4' energy: -144.122 flat angles C4'-P-C4' energy: -80.504 flat angles P-C4'-P energy: -68.331 tors. eta vs tors. theta energy: -12.387 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: 1, replica: 6 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -2910.680219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.680219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.680219 (E_RNA) where: Base-Base interactions energy: -2019.690 where: short stacking energy: -885.948 Base-Backbone interact. energy: -2.072 local terms energy: -888.917919 where: bonds (distance) C4'-P energy: -158.705 bonds (distance) P-C4' energy: -169.262 flat angles C4'-P-C4' energy: -188.746 flat angles P-C4'-P energy: -114.362 tors. eta vs tors. theta energy: -257.843 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: 10 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -2837.383778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.383778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.383778 (E_RNA) where: Base-Base interactions energy: -1978.900 where: short stacking energy: -856.092 Base-Backbone interact. energy: -5.808 local terms energy: -852.675751 where: bonds (distance) C4'-P energy: -147.823 bonds (distance) P-C4' energy: -162.033 flat angles C4'-P-C4' energy: -182.968 flat angles P-C4'-P energy: -129.686 tors. eta vs tors. theta energy: -230.166 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: 7 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -2763.938161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.938161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.938161 (E_RNA) where: Base-Base interactions energy: -1922.253 where: short stacking energy: -853.782 Base-Backbone interact. energy: -4.267 local terms energy: -837.418734 where: bonds (distance) C4'-P energy: -154.722 bonds (distance) P-C4' energy: -143.056 flat angles C4'-P-C4' energy: -177.172 flat angles P-C4'-P energy: -119.585 tors. eta vs tors. theta energy: -242.885 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: 4, replica: 4 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -2536.348136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.348136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.348136 (E_RNA) where: Base-Base interactions energy: -1748.450 where: short stacking energy: -753.859 Base-Backbone interact. energy: -1.264 local terms energy: -786.634993 where: bonds (distance) C4'-P energy: -120.989 bonds (distance) P-C4' energy: -157.213 flat angles C4'-P-C4' energy: -165.994 flat angles P-C4'-P energy: -129.433 tors. eta vs tors. theta energy: -213.006 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: 284 Temperature: 1.100000 Total energy: -2370.494166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.494166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.494166 (E_RNA) where: Base-Base interactions energy: -1623.416 where: short stacking energy: -724.773 Base-Backbone interact. energy: -3.002 local terms energy: -744.076214 where: bonds (distance) C4'-P energy: -133.307 bonds (distance) P-C4' energy: -136.892 flat angles C4'-P-C4' energy: -155.549 flat angles P-C4'-P energy: -113.646 tors. eta vs tors. theta energy: -204.682 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: 9 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -2234.508626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.508626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.508626 (E_RNA) where: Base-Base interactions energy: -1534.279 where: short stacking energy: -685.479 Base-Backbone interact. energy: -2.778 local terms energy: -697.451353 where: bonds (distance) C4'-P energy: -129.687 bonds (distance) P-C4' energy: -138.463 flat angles C4'-P-C4' energy: -169.525 flat angles P-C4'-P energy: -94.881 tors. eta vs tors. theta energy: -164.895 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: 8 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -2008.505533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.505533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.505533 (E_RNA) where: Base-Base interactions energy: -1350.487 where: short stacking energy: -630.429 Base-Backbone interact. energy: 0.233 local terms energy: -658.252003 where: bonds (distance) C4'-P energy: -138.448 bonds (distance) P-C4' energy: -131.005 flat angles C4'-P-C4' energy: -149.426 flat angles P-C4'-P energy: -78.582 tors. eta vs tors. theta energy: -160.792 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: 2 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1610.388543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.388543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.388543 (E_RNA) where: Base-Base interactions energy: -1068.873 where: short stacking energy: -477.716 Base-Backbone interact. energy: -1.284 local terms energy: -540.231210 where: bonds (distance) C4'-P energy: -126.528 bonds (distance) P-C4' energy: -126.784 flat angles C4'-P-C4' energy: -116.389 flat angles P-C4'-P energy: -85.103 tors. eta vs tors. theta energy: -85.427 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: 1 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -1053.851239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.851239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.851239 (E_RNA) where: Base-Base interactions energy: -588.200 where: short stacking energy: -323.054 Base-Backbone interact. energy: 0.323 local terms energy: -465.974050 where: bonds (distance) C4'-P energy: -123.641 bonds (distance) P-C4' energy: -129.468 flat angles C4'-P-C4' energy: -114.064 flat angles P-C4'-P energy: -76.294 tors. eta vs tors. theta energy: -22.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -873.626734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.626734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.626734 (E_RNA) where: Base-Base interactions energy: -425.654 where: short stacking energy: -257.956 Base-Backbone interact. energy: 0.403 local terms energy: -448.375401 where: bonds (distance) C4'-P energy: -123.846 bonds (distance) P-C4' energy: -124.312 flat angles C4'-P-C4' energy: -126.859 flat angles P-C4'-P energy: -69.059 tors. eta vs tors. theta energy: -4.299 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: 1, replica: 6 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -2918.163369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.163369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.163369 (E_RNA) where: Base-Base interactions energy: -1990.315 where: short stacking energy: -867.941 Base-Backbone interact. energy: -2.823 local terms energy: -925.025251 where: bonds (distance) C4'-P energy: -155.045 bonds (distance) P-C4' energy: -180.091 flat angles C4'-P-C4' energy: -193.578 flat angles P-C4'-P energy: -132.170 tors. eta vs tors. theta energy: -264.142 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: 2, replica: 10 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2854.765412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.765412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.765412 (E_RNA) where: Base-Base interactions energy: -2000.410 where: short stacking energy: -853.877 Base-Backbone interact. energy: -6.094 local terms energy: -848.261501 where: bonds (distance) C4'-P energy: -156.017 bonds (distance) P-C4' energy: -158.362 flat angles C4'-P-C4' energy: -188.609 flat angles P-C4'-P energy: -109.551 tors. eta vs tors. theta energy: -235.723 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: 7 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -2734.548021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.548021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.548021 (E_RNA) where: Base-Base interactions energy: -1893.956 where: short stacking energy: -859.545 Base-Backbone interact. energy: -4.319 local terms energy: -836.272580 where: bonds (distance) C4'-P energy: -148.643 bonds (distance) P-C4' energy: -145.897 flat angles C4'-P-C4' energy: -175.585 flat angles P-C4'-P energy: -121.911 tors. eta vs tors. theta energy: -244.236 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: 285 Temperature: 1.050000 Total energy: -2525.937394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.937394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.937394 (E_RNA) where: Base-Base interactions energy: -1740.236 where: short stacking energy: -732.027 Base-Backbone interact. energy: -1.447 local terms energy: -784.254448 where: bonds (distance) C4'-P energy: -144.541 bonds (distance) P-C4' energy: -143.049 flat angles C4'-P-C4' energy: -184.523 flat angles P-C4'-P energy: -115.868 tors. eta vs tors. theta energy: -196.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -2393.681085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.681085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.681085 (E_RNA) where: Base-Base interactions energy: -1624.284 where: short stacking energy: -688.220 Base-Backbone interact. energy: -2.142 local terms energy: -767.254295 where: bonds (distance) C4'-P energy: -139.314 bonds (distance) P-C4' energy: -147.048 flat angles C4'-P-C4' energy: -163.456 flat angles P-C4'-P energy: -107.753 tors. eta vs tors. theta energy: -209.683 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: 9 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -2261.796820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.796820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.796820 (E_RNA) where: Base-Base interactions energy: -1542.882 where: short stacking energy: -688.069 Base-Backbone interact. energy: -2.120 local terms energy: -716.794756 where: bonds (distance) C4'-P energy: -122.135 bonds (distance) P-C4' energy: -140.479 flat angles C4'-P-C4' energy: -162.451 flat angles P-C4'-P energy: -110.416 tors. eta vs tors. theta energy: -181.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1990.923574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.923574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.923574 (E_RNA) where: Base-Base interactions energy: -1358.261 where: short stacking energy: -622.861 Base-Backbone interact. energy: 1.000 local terms energy: -633.662910 where: bonds (distance) C4'-P energy: -106.688 bonds (distance) P-C4' energy: -141.273 flat angles C4'-P-C4' energy: -149.161 flat angles P-C4'-P energy: -80.980 tors. eta vs tors. theta energy: -155.561 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: 2 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1619.280701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.280701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.280701 (E_RNA) where: Base-Base interactions energy: -1007.499 where: short stacking energy: -445.085 Base-Backbone interact. energy: 4.182 local terms energy: -615.962977 where: bonds (distance) C4'-P energy: -138.735 bonds (distance) P-C4' energy: -146.139 flat angles C4'-P-C4' energy: -142.189 flat angles P-C4'-P energy: -97.218 tors. eta vs tors. theta energy: -91.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -1188.739639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.739639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.739639 (E_RNA) where: Base-Base interactions energy: -663.619 where: short stacking energy: -326.646 Base-Backbone interact. energy: -2.528 local terms energy: -522.592156 where: bonds (distance) C4'-P energy: -136.899 bonds (distance) P-C4' energy: -120.451 flat angles C4'-P-C4' energy: -127.500 flat angles P-C4'-P energy: -88.009 tors. eta vs tors. theta energy: -49.733 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: 3 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -912.679212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.679212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.679212 (E_RNA) where: Base-Base interactions energy: -512.982 where: short stacking energy: -288.083 Base-Backbone interact. energy: 4.328 local terms energy: -404.024971 where: bonds (distance) C4'-P energy: -116.130 bonds (distance) P-C4' energy: -102.001 flat angles C4'-P-C4' energy: -104.782 flat angles P-C4'-P energy: -70.922 tors. eta vs tors. theta energy: -10.190 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: 1, replica: 6 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -2946.607398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.607398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.607398 (E_RNA) where: Base-Base interactions energy: -2021.242 where: short stacking energy: -902.201 Base-Backbone interact. energy: -3.248 local terms energy: -922.117490 where: bonds (distance) C4'-P energy: -168.697 bonds (distance) P-C4' energy: -172.576 flat angles C4'-P-C4' energy: -187.451 flat angles P-C4'-P energy: -133.983 tors. eta vs tors. theta energy: -259.411 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: 2, replica: 10 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2819.697585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.697585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.697585 (E_RNA) where: Base-Base interactions energy: -1958.021 where: short stacking energy: -860.817 Base-Backbone interact. energy: -4.285 local terms energy: -857.391901 where: bonds (distance) C4'-P energy: -136.001 bonds (distance) P-C4' energy: -175.763 flat angles C4'-P-C4' energy: -183.455 flat angles P-C4'-P energy: -124.821 tors. eta vs tors. theta energy: -237.353 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: 7 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -2777.781342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.781342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.781342 (E_RNA) where: Base-Base interactions energy: -1915.262 where: short stacking energy: -835.585 Base-Backbone interact. energy: -3.357 local terms energy: -859.162731 where: bonds (distance) C4'-P energy: -150.119 bonds (distance) P-C4' energy: -158.777 flat angles C4'-P-C4' energy: -174.207 flat angles P-C4'-P energy: -132.204 tors. eta vs tors. theta energy: -243.855 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: 4, replica: 4 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -2548.735881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.735881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.735881 (E_RNA) where: Base-Base interactions energy: -1772.047 where: short stacking energy: -742.032 Base-Backbone interact. energy: -4.236 local terms energy: -772.452260 where: bonds (distance) C4'-P energy: -149.305 bonds (distance) P-C4' energy: -149.114 flat angles C4'-P-C4' energy: -157.417 flat angles P-C4'-P energy: -113.459 tors. eta vs tors. theta energy: -203.156 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: 5, replica: 5 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -2400.304669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.304669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.304669 (E_RNA) where: Base-Base interactions energy: -1641.602 where: short stacking energy: -718.849 Base-Backbone interact. energy: -4.340 local terms energy: -754.362664 where: bonds (distance) C4'-P energy: -117.860 bonds (distance) P-C4' energy: -156.246 flat angles C4'-P-C4' energy: -167.243 flat angles P-C4'-P energy: -117.754 tors. eta vs tors. theta energy: -195.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -2235.482989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.482989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.482989 (E_RNA) where: Base-Base interactions energy: -1524.464 where: short stacking energy: -703.958 Base-Backbone interact. energy: -0.946 local terms energy: -710.073039 where: bonds (distance) C4'-P energy: -139.244 bonds (distance) P-C4' energy: -133.394 flat angles C4'-P-C4' energy: -148.687 flat angles P-C4'-P energy: -99.833 tors. eta vs tors. theta energy: -188.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -2048.974427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.974427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.974427 (E_RNA) where: Base-Base interactions energy: -1376.375 where: short stacking energy: -615.046 Base-Backbone interact. energy: -3.031 local terms energy: -669.568543 where: bonds (distance) C4'-P energy: -130.923 bonds (distance) P-C4' energy: -136.766 flat angles C4'-P-C4' energy: -146.442 flat angles P-C4'-P energy: -96.211 tors. eta vs tors. theta energy: -159.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1595.412211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.412211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.412211 (E_RNA) where: Base-Base interactions energy: -995.751 where: short stacking energy: -452.658 Base-Backbone interact. energy: -1.087 local terms energy: -598.574682 where: bonds (distance) C4'-P energy: -134.326 bonds (distance) P-C4' energy: -156.283 flat angles C4'-P-C4' energy: -152.210 flat angles P-C4'-P energy: -62.845 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: 1 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -1211.659353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.659353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.659353 (E_RNA) where: Base-Base interactions energy: -726.638 where: short stacking energy: -378.453 Base-Backbone interact. energy: 8.282 local terms energy: -493.302836 where: bonds (distance) C4'-P energy: -127.176 bonds (distance) P-C4' energy: -133.389 flat angles C4'-P-C4' energy: -117.255 flat angles P-C4'-P energy: -79.621 tors. eta vs tors. theta energy: -35.861 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: 10, replica: 3 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -905.924400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.924400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.924400 (E_RNA) where: Base-Base interactions energy: -443.207 where: short stacking energy: -266.101 Base-Backbone interact. energy: -1.788 local terms energy: -460.928998 where: bonds (distance) C4'-P energy: -116.582 bonds (distance) P-C4' energy: -138.148 flat angles C4'-P-C4' energy: -119.316 flat angles P-C4'-P energy: -75.299 tors. eta vs tors. theta energy: -11.583 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: 6 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -2958.842687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.842687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.842687 (E_RNA) where: Base-Base interactions energy: -2040.735 where: short stacking energy: -828.620 Base-Backbone interact. energy: -3.888 local terms energy: -914.219321 where: bonds (distance) C4'-P energy: -169.148 bonds (distance) P-C4' energy: -175.826 flat angles C4'-P-C4' energy: -190.380 flat angles P-C4'-P energy: -120.311 tors. eta vs tors. theta energy: -258.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -2799.147419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.147419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.147419 (E_RNA) where: Base-Base interactions energy: -1962.029 where: short stacking energy: -828.321 Base-Backbone interact. energy: -2.266 local terms energy: -834.851861 where: bonds (distance) C4'-P energy: -161.368 bonds (distance) P-C4' energy: -155.889 flat angles C4'-P-C4' energy: -179.660 flat angles P-C4'-P energy: -110.584 tors. eta vs tors. theta energy: -227.351 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: 7 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -2755.966680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.966680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.966680 (E_RNA) where: Base-Base interactions energy: -1891.070 where: short stacking energy: -852.756 Base-Backbone interact. energy: -3.149 local terms energy: -861.747826 where: bonds (distance) C4'-P energy: -149.095 bonds (distance) P-C4' energy: -164.647 flat angles C4'-P-C4' energy: -184.304 flat angles P-C4'-P energy: -114.994 tors. eta vs tors. theta energy: -248.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -2481.356780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.356780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.356780 (E_RNA) where: Base-Base interactions energy: -1720.904 where: short stacking energy: -688.676 Base-Backbone interact. energy: -0.225 local terms energy: -760.228301 where: bonds (distance) C4'-P energy: -120.469 bonds (distance) P-C4' energy: -163.989 flat angles C4'-P-C4' energy: -169.182 flat angles P-C4'-P energy: -117.119 tors. eta vs tors. theta energy: -189.469 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: 5, replica: 5 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -2451.446036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.446036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.446036 (E_RNA) where: Base-Base interactions energy: -1715.423 where: short stacking energy: -739.545 Base-Backbone interact. energy: -1.529 local terms energy: -734.494110 where: bonds (distance) C4'-P energy: -139.165 bonds (distance) P-C4' energy: -123.889 flat angles C4'-P-C4' energy: -159.212 flat angles P-C4'-P energy: -104.319 tors. eta vs tors. theta energy: -207.910 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: 287 Temperature: 1.150000 Total energy: -2236.465232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.465232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.465232 (E_RNA) where: Base-Base interactions energy: -1524.050 where: short stacking energy: -661.016 Base-Backbone interact. energy: -1.789 local terms energy: -710.626639 where: bonds (distance) C4'-P energy: -144.824 bonds (distance) P-C4' energy: -128.103 flat angles C4'-P-C4' energy: -151.875 flat angles P-C4'-P energy: -98.439 tors. eta vs tors. theta energy: -187.385 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: 8 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -2049.271836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.271836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.271836 (E_RNA) where: Base-Base interactions energy: -1369.302 where: short stacking energy: -606.508 Base-Backbone interact. energy: -0.100 local terms energy: -679.869445 where: bonds (distance) C4'-P energy: -142.496 bonds (distance) P-C4' energy: -144.952 flat angles C4'-P-C4' energy: -156.558 flat angles P-C4'-P energy: -78.854 tors. eta vs tors. theta energy: -157.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1560.607951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.607951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.607951 (E_RNA) where: Base-Base interactions energy: -1014.767 where: short stacking energy: -458.804 Base-Backbone interact. energy: -1.161 local terms energy: -544.679377 where: bonds (distance) C4'-P energy: -139.090 bonds (distance) P-C4' energy: -105.579 flat angles C4'-P-C4' energy: -131.870 flat angles P-C4'-P energy: -91.633 tors. eta vs tors. theta energy: -76.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -1124.687435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.687435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.687435 (E_RNA) where: Base-Base interactions energy: -641.341 where: short stacking energy: -339.562 Base-Backbone interact. energy: -0.552 local terms energy: -482.793973 where: bonds (distance) C4'-P energy: -136.589 bonds (distance) P-C4' energy: -139.080 flat angles C4'-P-C4' energy: -110.895 flat angles P-C4'-P energy: -81.240 tors. eta vs tors. theta energy: -14.990 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: 10, replica: 3 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -921.751159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.751159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.751159 (E_RNA) where: Base-Base interactions energy: -443.531 where: short stacking energy: -246.691 Base-Backbone interact. energy: 1.849 local terms energy: -480.069514 where: bonds (distance) C4'-P energy: -130.220 bonds (distance) P-C4' energy: -113.830 flat angles C4'-P-C4' energy: -122.314 flat angles P-C4'-P energy: -90.552 tors. eta vs tors. theta energy: -23.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -2930.405325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.405325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.405325 (E_RNA) where: Base-Base interactions energy: -2037.573 where: short stacking energy: -873.518 Base-Backbone interact. energy: -1.192 local terms energy: -891.640827 where: bonds (distance) C4'-P energy: -151.614 bonds (distance) P-C4' energy: -176.825 flat angles C4'-P-C4' energy: -182.169 flat angles P-C4'-P energy: -120.898 tors. eta vs tors. theta energy: -260.134 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: 2, replica: 10 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -2805.955321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.955321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.955321 (E_RNA) where: Base-Base interactions energy: -1956.656 where: short stacking energy: -829.032 Base-Backbone interact. energy: -5.347 local terms energy: -843.952280 where: bonds (distance) C4'-P energy: -153.319 bonds (distance) P-C4' energy: -158.244 flat angles C4'-P-C4' energy: -188.475 flat angles P-C4'-P energy: -114.397 tors. eta vs tors. theta energy: -229.517 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: 7 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -2760.004121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.004121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.004121 (E_RNA) where: Base-Base interactions energy: -1936.262 where: short stacking energy: -828.011 Base-Backbone interact. energy: -0.680 local terms energy: -823.061565 where: bonds (distance) C4'-P energy: -142.481 bonds (distance) P-C4' energy: -147.960 flat angles C4'-P-C4' energy: -169.401 flat angles P-C4'-P energy: -121.467 tors. eta vs tors. theta energy: -241.752 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: 4 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -2489.353135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.353135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.353135 (E_RNA) where: Base-Base interactions energy: -1736.906 where: short stacking energy: -728.143 Base-Backbone interact. energy: -2.407 local terms energy: -750.040130 where: bonds (distance) C4'-P energy: -132.449 bonds (distance) P-C4' energy: -152.217 flat angles C4'-P-C4' energy: -174.070 flat angles P-C4'-P energy: -89.456 tors. eta vs tors. theta energy: -201.849 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: 5, replica: 5 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -2465.597682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.597682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.597682 (E_RNA) where: Base-Base interactions energy: -1704.325 where: short stacking energy: -726.516 Base-Backbone interact. energy: -2.034 local terms energy: -759.238520 where: bonds (distance) C4'-P energy: -143.022 bonds (distance) P-C4' energy: -145.338 flat angles C4'-P-C4' energy: -154.963 flat angles P-C4'-P energy: -109.683 tors. eta vs tors. theta energy: -206.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -2245.426822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.426822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.426822 (E_RNA) where: Base-Base interactions energy: -1552.158 where: short stacking energy: -653.800 Base-Backbone interact. energy: 5.144 local terms energy: -698.413392 where: bonds (distance) C4'-P energy: -149.016 bonds (distance) P-C4' energy: -123.500 flat angles C4'-P-C4' energy: -158.018 flat angles P-C4'-P energy: -95.982 tors. eta vs tors. theta energy: -171.898 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: 8 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -2053.751095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.751095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.751095 (E_RNA) where: Base-Base interactions energy: -1440.168 where: short stacking energy: -620.860 Base-Backbone interact. energy: -2.772 local terms energy: -610.811611 where: bonds (distance) C4'-P energy: -118.956 bonds (distance) P-C4' energy: -140.117 flat angles C4'-P-C4' energy: -138.630 flat angles P-C4'-P energy: -55.081 tors. eta vs tors. theta energy: -158.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1624.123097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.123097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.123097 (E_RNA) where: Base-Base interactions energy: -1024.147 where: short stacking energy: -461.306 Base-Backbone interact. energy: -5.109 local terms energy: -594.866834 where: bonds (distance) C4'-P energy: -132.438 bonds (distance) P-C4' energy: -149.843 flat angles C4'-P-C4' energy: -144.162 flat angles P-C4'-P energy: -81.509 tors. eta vs tors. theta energy: -86.914 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: 9, replica: 1 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -1096.910303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.910303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.910303 (E_RNA) where: Base-Base interactions energy: -593.945 where: short stacking energy: -340.651 Base-Backbone interact. energy: -1.810 local terms energy: -501.155725 where: bonds (distance) C4'-P energy: -130.626 bonds (distance) P-C4' energy: -145.736 flat angles C4'-P-C4' energy: -127.222 flat angles P-C4'-P energy: -56.064 tors. eta vs tors. theta energy: -41.508 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: 3 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -979.239567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.239567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.239567 (E_RNA) where: Base-Base interactions energy: -551.753 where: short stacking energy: -299.595 Base-Backbone interact. energy: 2.012 local terms energy: -429.498554 where: bonds (distance) C4'-P energy: -132.107 bonds (distance) P-C4' energy: -119.370 flat angles C4'-P-C4' energy: -129.751 flat angles P-C4'-P energy: -54.750 tors. eta vs tors. theta energy: 6.479 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: 6 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -2919.246662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.246662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.246662 (E_RNA) where: Base-Base interactions energy: -2044.303 where: short stacking energy: -843.782 Base-Backbone interact. energy: -3.614 local terms energy: -871.330248 where: bonds (distance) C4'-P energy: -161.503 bonds (distance) P-C4' energy: -151.159 flat angles C4'-P-C4' energy: -173.536 flat angles P-C4'-P energy: -128.035 tors. eta vs tors. theta energy: -257.097 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: 2, replica: 7 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -2808.884149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.884149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.884149 (E_RNA) where: Base-Base interactions energy: -1930.664 where: short stacking energy: -831.694 Base-Backbone interact. energy: -4.807 local terms energy: -873.413090 where: bonds (distance) C4'-P energy: -139.783 bonds (distance) P-C4' energy: -164.482 flat angles C4'-P-C4' energy: -181.069 flat angles P-C4'-P energy: -139.315 tors. eta vs tors. theta energy: -248.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2708.331618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.331618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.331618 (E_RNA) where: Base-Base interactions energy: -1871.990 where: short stacking energy: -790.633 Base-Backbone interact. energy: -4.318 local terms energy: -832.023176 where: bonds (distance) C4'-P energy: -128.231 bonds (distance) P-C4' energy: -165.873 flat angles C4'-P-C4' energy: -187.759 flat angles P-C4'-P energy: -129.480 tors. eta vs tors. theta energy: -220.681 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: 4, replica: 4 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -2584.718525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.718525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.718525 (E_RNA) where: Base-Base interactions energy: -1820.247 where: short stacking energy: -729.442 Base-Backbone interact. energy: 0.015 local terms energy: -764.486841 where: bonds (distance) C4'-P energy: -143.753 bonds (distance) P-C4' energy: -133.110 flat angles C4'-P-C4' energy: -174.931 flat angles P-C4'-P energy: -119.435 tors. eta vs tors. theta energy: -193.258 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: 5, replica: 5 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -2482.232077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.232077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.232077 (E_RNA) where: Base-Base interactions energy: -1677.549 where: short stacking energy: -734.320 Base-Backbone interact. energy: -0.827 local terms energy: -803.856134 where: bonds (distance) C4'-P energy: -135.472 bonds (distance) P-C4' energy: -156.364 flat angles C4'-P-C4' energy: -175.165 flat angles P-C4'-P energy: -108.464 tors. eta vs tors. theta energy: -228.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -2196.645866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.645866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.645866 (E_RNA) where: Base-Base interactions energy: -1473.546 where: short stacking energy: -636.172 Base-Backbone interact. energy: -2.498 local terms energy: -720.601948 where: bonds (distance) C4'-P energy: -138.098 bonds (distance) P-C4' energy: -171.028 flat angles C4'-P-C4' energy: -153.046 flat angles P-C4'-P energy: -105.411 tors. eta vs tors. theta energy: -153.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -2029.663101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.663101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.663101 (E_RNA) where: Base-Base interactions energy: -1353.452 where: short stacking energy: -598.871 Base-Backbone interact. energy: 1.346 local terms energy: -677.557849 where: bonds (distance) C4'-P energy: -112.878 bonds (distance) P-C4' energy: -143.954 flat angles C4'-P-C4' energy: -163.302 flat angles P-C4'-P energy: -111.508 tors. eta vs tors. theta energy: -145.916 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: 8, replica: 2 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1487.567698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.567698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.567698 (E_RNA) where: Base-Base interactions energy: -961.461 where: short stacking energy: -433.014 Base-Backbone interact. energy: 0.931 local terms energy: -527.037053 where: bonds (distance) C4'-P energy: -112.585 bonds (distance) P-C4' energy: -141.870 flat angles C4'-P-C4' energy: -134.860 flat angles P-C4'-P energy: -85.941 tors. eta vs tors. theta energy: -51.781 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: 1 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -1017.740812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.740812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.740812 (E_RNA) where: Base-Base interactions energy: -571.129 where: short stacking energy: -298.520 Base-Backbone interact. energy: 4.111 local terms energy: -450.723206 where: bonds (distance) C4'-P energy: -118.816 bonds (distance) P-C4' energy: -125.362 flat angles C4'-P-C4' energy: -111.118 flat angles P-C4'-P energy: -76.228 tors. eta vs tors. theta energy: -19.198 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: 10, replica: 3 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -876.222528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.222528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.222528 (E_RNA) where: Base-Base interactions energy: -446.498 where: short stacking energy: -242.733 Base-Backbone interact. energy: 3.823 local terms energy: -433.547023 where: bonds (distance) C4'-P energy: -118.045 bonds (distance) P-C4' energy: -131.878 flat angles C4'-P-C4' energy: -115.855 flat angles P-C4'-P energy: -68.219 tors. eta vs tors. theta energy: 0.450 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: 6 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -2954.631406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.631406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.631406 (E_RNA) where: Base-Base interactions energy: -2070.776 where: short stacking energy: -862.119 Base-Backbone interact. energy: -3.833 local terms energy: -880.022116 where: bonds (distance) C4'-P energy: -156.063 bonds (distance) P-C4' energy: -159.066 flat angles C4'-P-C4' energy: -180.765 flat angles P-C4'-P energy: -127.231 tors. eta vs tors. theta energy: -256.897 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: 2, replica: 7 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2803.272679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.272679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.272679 (E_RNA) where: Base-Base interactions energy: -1964.911 where: short stacking energy: -870.063 Base-Backbone interact. energy: 3.555 local terms energy: -841.917077 where: bonds (distance) C4'-P energy: -142.895 bonds (distance) P-C4' energy: -148.326 flat angles C4'-P-C4' energy: -177.928 flat angles P-C4'-P energy: -124.601 tors. eta vs tors. theta energy: -248.167 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: 10 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2737.486371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.486371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.486371 (E_RNA) where: Base-Base interactions energy: -1893.061 where: short stacking energy: -830.624 Base-Backbone interact. energy: -7.009 local terms energy: -837.416320 where: bonds (distance) C4'-P energy: -145.753 bonds (distance) P-C4' energy: -156.632 flat angles C4'-P-C4' energy: -181.824 flat angles P-C4'-P energy: -121.648 tors. eta vs tors. theta energy: -231.560 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: 4, replica: 4 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -2629.567624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.567624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.567624 (E_RNA) where: Base-Base interactions energy: -1840.752 where: short stacking energy: -768.196 Base-Backbone interact. energy: -1.965 local terms energy: -786.850236 where: bonds (distance) C4'-P energy: -144.711 bonds (distance) P-C4' energy: -141.164 flat angles C4'-P-C4' energy: -176.702 flat angles P-C4'-P energy: -113.189 tors. eta vs tors. theta energy: -211.084 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: 290 Temperature: 1.100000 Total energy: -2430.334520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.334520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.334520 (E_RNA) where: Base-Base interactions energy: -1661.567 where: short stacking energy: -725.092 Base-Backbone interact. energy: 1.574 local terms energy: -770.341576 where: bonds (distance) C4'-P energy: -150.156 bonds (distance) P-C4' energy: -143.905 flat angles C4'-P-C4' energy: -167.825 flat angles P-C4'-P energy: -109.241 tors. eta vs tors. theta energy: -199.215 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: 6, replica: 9 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -2160.775721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.775721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.775721 (E_RNA) where: Base-Base interactions energy: -1485.438 where: short stacking energy: -637.225 Base-Backbone interact. energy: 2.095 local terms energy: -677.432335 where: bonds (distance) C4'-P energy: -144.869 bonds (distance) P-C4' energy: -134.813 flat angles C4'-P-C4' energy: -158.771 flat angles P-C4'-P energy: -88.522 tors. eta vs tors. theta energy: -150.458 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: 8 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -2043.337507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.337507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.337507 (E_RNA) where: Base-Base interactions energy: -1413.455 where: short stacking energy: -611.312 Base-Backbone interact. energy: 3.890 local terms energy: -633.772797 where: bonds (distance) C4'-P energy: -126.647 bonds (distance) P-C4' energy: -126.499 flat angles C4'-P-C4' energy: -152.226 flat angles P-C4'-P energy: -76.411 tors. eta vs tors. theta energy: -151.990 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: 2 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1586.585757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.585757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.585757 (E_RNA) where: Base-Base interactions energy: -1026.408 where: short stacking energy: -482.050 Base-Backbone interact. energy: -1.413 local terms energy: -558.764725 where: bonds (distance) C4'-P energy: -138.240 bonds (distance) P-C4' energy: -124.723 flat angles C4'-P-C4' energy: -128.518 flat angles P-C4'-P energy: -81.649 tors. eta vs tors. theta energy: -85.635 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: 9, replica: 1 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -980.472266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.472266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.472266 (E_RNA) where: Base-Base interactions energy: -553.941 where: short stacking energy: -313.256 Base-Backbone interact. energy: 1.702 local terms energy: -428.233948 where: bonds (distance) C4'-P energy: -103.186 bonds (distance) P-C4' energy: -132.643 flat angles C4'-P-C4' energy: -127.717 flat angles P-C4'-P energy: -71.344 tors. eta vs tors. theta energy: 6.656 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: 10, replica: 3 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -880.773941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.773941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.773941 (E_RNA) where: Base-Base interactions energy: -445.951 where: short stacking energy: -263.124 Base-Backbone interact. energy: 0.503 local terms energy: -435.326540 where: bonds (distance) C4'-P energy: -109.407 bonds (distance) P-C4' energy: -139.862 flat angles C4'-P-C4' energy: -118.374 flat angles P-C4'-P energy: -75.116 tors. eta vs tors. theta energy: 7.433 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: 6 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -2911.681013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.681013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.681013 (E_RNA) where: Base-Base interactions energy: -2061.942 where: short stacking energy: -854.480 Base-Backbone interact. energy: -0.348 local terms energy: -849.390656 where: bonds (distance) C4'-P energy: -149.379 bonds (distance) P-C4' energy: -150.647 flat angles C4'-P-C4' energy: -182.885 flat angles P-C4'-P energy: -131.007 tors. eta vs tors. theta energy: -235.473 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: 7 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -2821.282022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.282022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.282022 (E_RNA) where: Base-Base interactions energy: -1968.615 where: short stacking energy: -842.462 Base-Backbone interact. energy: -0.937 local terms energy: -851.730238 where: bonds (distance) C4'-P energy: -173.600 bonds (distance) P-C4' energy: -156.576 flat angles C4'-P-C4' energy: -170.996 flat angles P-C4'-P energy: -106.448 tors. eta vs tors. theta energy: -244.110 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: 10 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -2711.948374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.948374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.948374 (E_RNA) where: Base-Base interactions energy: -1908.473 where: short stacking energy: -797.239 Base-Backbone interact. energy: -5.011 local terms energy: -798.464073 where: bonds (distance) C4'-P energy: -150.145 bonds (distance) P-C4' energy: -151.735 flat angles C4'-P-C4' energy: -182.244 flat angles P-C4'-P energy: -91.886 tors. eta vs tors. theta energy: -222.454 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: 4 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -2605.147080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.147080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.147080 (E_RNA) where: Base-Base interactions energy: -1813.278 where: short stacking energy: -777.501 Base-Backbone interact. energy: -1.769 local terms energy: -790.099965 where: bonds (distance) C4'-P energy: -144.874 bonds (distance) P-C4' energy: -130.222 flat angles C4'-P-C4' energy: -166.243 flat angles P-C4'-P energy: -121.266 tors. eta vs tors. theta energy: -227.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -2469.141175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.141175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.141175 (E_RNA) where: Base-Base interactions energy: -1714.020 where: short stacking energy: -738.594 Base-Backbone interact. energy: -5.910 local terms energy: -749.210551 where: bonds (distance) C4'-P energy: -121.251 bonds (distance) P-C4' energy: -132.543 flat angles C4'-P-C4' energy: -170.420 flat angles P-C4'-P energy: -112.308 tors. eta vs tors. theta energy: -212.687 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: 9 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -2206.214798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.214798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.214798 (E_RNA) where: Base-Base interactions energy: -1524.328 where: short stacking energy: -657.507 Base-Backbone interact. energy: -4.106 local terms energy: -677.779951 where: bonds (distance) C4'-P energy: -136.506 bonds (distance) P-C4' energy: -145.831 flat angles C4'-P-C4' energy: -147.533 flat angles P-C4'-P energy: -88.663 tors. eta vs tors. theta energy: -159.247 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: 8 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -2013.562017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.562017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.562017 (E_RNA) where: Base-Base interactions energy: -1390.541 where: short stacking energy: -595.894 Base-Backbone interact. energy: -2.595 local terms energy: -620.426904 where: bonds (distance) C4'-P energy: -125.283 bonds (distance) P-C4' energy: -136.096 flat angles C4'-P-C4' energy: -138.577 flat angles P-C4'-P energy: -71.696 tors. eta vs tors. theta energy: -148.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1599.100515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.100515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.100515 (E_RNA) where: Base-Base interactions energy: -1032.008 where: short stacking energy: -492.154 Base-Backbone interact. energy: -4.555 local terms energy: -562.537723 where: bonds (distance) C4'-P energy: -125.885 bonds (distance) P-C4' energy: -138.493 flat angles C4'-P-C4' energy: -135.060 flat angles P-C4'-P energy: -79.125 tors. eta vs tors. theta energy: -83.975 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: 1 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -1017.771780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.771780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.771780 (E_RNA) where: Base-Base interactions energy: -517.449 where: short stacking energy: -305.618 Base-Backbone interact. energy: 1.869 local terms energy: -502.191602 where: bonds (distance) C4'-P energy: -137.752 bonds (distance) P-C4' energy: -124.492 flat angles C4'-P-C4' energy: -127.111 flat angles P-C4'-P energy: -83.203 tors. eta vs tors. theta energy: -29.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -906.283374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.283374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.283374 (E_RNA) where: Base-Base interactions energy: -468.231 where: short stacking energy: -318.275 Base-Backbone interact. energy: -0.985 local terms energy: -437.067480 where: bonds (distance) C4'-P energy: -134.641 bonds (distance) P-C4' energy: -111.137 flat angles C4'-P-C4' energy: -110.579 flat angles P-C4'-P energy: -59.634 tors. eta vs tors. theta energy: -21.076 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: 1, replica: 6 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -2958.679169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.679169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.679169 (E_RNA) where: Base-Base interactions energy: -2085.101 where: short stacking energy: -887.385 Base-Backbone interact. energy: -3.770 local terms energy: -869.808498 where: bonds (distance) C4'-P energy: -149.399 bonds (distance) P-C4' energy: -153.050 flat angles C4'-P-C4' energy: -176.997 flat angles P-C4'-P energy: -131.257 tors. eta vs tors. theta energy: -259.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -2813.731552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.731552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.731552 (E_RNA) where: Base-Base interactions energy: -1970.052 where: short stacking energy: -847.979 Base-Backbone interact. energy: -1.752 local terms energy: -841.927962 where: bonds (distance) C4'-P energy: -149.082 bonds (distance) P-C4' energy: -156.078 flat angles C4'-P-C4' energy: -179.949 flat angles P-C4'-P energy: -108.316 tors. eta vs tors. theta energy: -248.502 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: 10 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -2719.665582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.665582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.665582 (E_RNA) where: Base-Base interactions energy: -1913.951 where: short stacking energy: -822.531 Base-Backbone interact. energy: -3.961 local terms energy: -801.753011 where: bonds (distance) C4'-P energy: -164.198 bonds (distance) P-C4' energy: -143.961 flat angles C4'-P-C4' energy: -177.289 flat angles P-C4'-P energy: -94.823 tors. eta vs tors. theta energy: -221.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -2581.190652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.190652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.190652 (E_RNA) where: Base-Base interactions energy: -1793.414 where: short stacking energy: -763.630 Base-Backbone interact. energy: -4.432 local terms energy: -783.344314 where: bonds (distance) C4'-P energy: -136.388 bonds (distance) P-C4' energy: -149.216 flat angles C4'-P-C4' energy: -176.465 flat angles P-C4'-P energy: -119.479 tors. eta vs tors. theta energy: -201.797 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: 292 Temperature: 1.100000 Total energy: -2489.206747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.206747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.206747 (E_RNA) where: Base-Base interactions energy: -1735.613 where: short stacking energy: -772.509 Base-Backbone interact. energy: -0.084 local terms energy: -753.509563 where: bonds (distance) C4'-P energy: -124.051 bonds (distance) P-C4' energy: -143.947 flat angles C4'-P-C4' energy: -163.270 flat angles P-C4'-P energy: -107.864 tors. eta vs tors. theta energy: -214.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -2188.308850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.308850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.308850 (E_RNA) where: Base-Base interactions energy: -1491.856 where: short stacking energy: -653.089 Base-Backbone interact. energy: 0.581 local terms energy: -697.034702 where: bonds (distance) C4'-P energy: -116.927 bonds (distance) P-C4' energy: -155.467 flat angles C4'-P-C4' energy: -160.920 flat angles P-C4'-P energy: -102.890 tors. eta vs tors. theta energy: -160.830 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: 7, replica: 8 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -2076.721957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.721957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.721957 (E_RNA) where: Base-Base interactions energy: -1386.465 where: short stacking energy: -591.937 Base-Backbone interact. energy: 1.132 local terms energy: -691.388367 where: bonds (distance) C4'-P energy: -121.847 bonds (distance) P-C4' energy: -150.373 flat angles C4'-P-C4' energy: -162.091 flat angles P-C4'-P energy: -93.022 tors. eta vs tors. theta energy: -164.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1607.279805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.279805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.279805 (E_RNA) where: Base-Base interactions energy: -1071.346 where: short stacking energy: -507.128 Base-Backbone interact. energy: -0.672 local terms energy: -535.261953 where: bonds (distance) C4'-P energy: -113.258 bonds (distance) P-C4' energy: -120.334 flat angles C4'-P-C4' energy: -141.094 flat angles P-C4'-P energy: -58.452 tors. eta vs tors. theta energy: -102.125 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: 9, replica: 1 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -1051.499573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.499573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.499573 (E_RNA) where: Base-Base interactions energy: -589.426 where: short stacking energy: -293.823 Base-Backbone interact. energy: -0.916 local terms energy: -461.157478 where: bonds (distance) C4'-P energy: -128.899 bonds (distance) P-C4' energy: -145.793 flat angles C4'-P-C4' energy: -116.544 flat angles P-C4'-P energy: -65.968 tors. eta vs tors. theta energy: -3.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -939.828328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.828328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.828328 (E_RNA) where: Base-Base interactions energy: -496.556 where: short stacking energy: -259.309 Base-Backbone interact. energy: -1.942 local terms energy: -441.330534 where: bonds (distance) C4'-P energy: -116.227 bonds (distance) P-C4' energy: -122.829 flat angles C4'-P-C4' energy: -132.752 flat angles P-C4'-P energy: -81.108 tors. eta vs tors. theta energy: 11.585 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: 1, replica: 6 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -2930.845396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.845396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.845396 (E_RNA) where: Base-Base interactions energy: -2027.104 where: short stacking energy: -881.761 Base-Backbone interact. energy: 2.151 local terms energy: -905.892905 where: bonds (distance) C4'-P energy: -161.638 bonds (distance) P-C4' energy: -161.086 flat angles C4'-P-C4' energy: -188.817 flat angles P-C4'-P energy: -136.953 tors. eta vs tors. theta energy: -257.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -2828.482630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.482630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.482630 (E_RNA) where: Base-Base interactions energy: -1977.307 where: short stacking energy: -845.353 Base-Backbone interact. energy: -0.193 local terms energy: -850.982759 where: bonds (distance) C4'-P energy: -149.746 bonds (distance) P-C4' energy: -161.166 flat angles C4'-P-C4' energy: -183.598 flat angles P-C4'-P energy: -110.541 tors. eta vs tors. theta energy: -245.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -2750.093159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.093159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.093159 (E_RNA) where: Base-Base interactions energy: -1953.784 where: short stacking energy: -825.771 Base-Backbone interact. energy: -5.015 local terms energy: -791.294242 where: bonds (distance) C4'-P energy: -155.015 bonds (distance) P-C4' energy: -136.982 flat angles C4'-P-C4' energy: -175.324 flat angles P-C4'-P energy: -120.803 tors. eta vs tors. theta energy: -203.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -2586.838789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.838789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.838789 (E_RNA) where: Base-Base interactions energy: -1812.887 where: short stacking energy: -774.067 Base-Backbone interact. energy: 0.918 local terms energy: -774.869456 where: bonds (distance) C4'-P energy: -142.728 bonds (distance) P-C4' energy: -156.391 flat angles C4'-P-C4' energy: -155.841 flat angles P-C4'-P energy: -106.027 tors. eta vs tors. theta energy: -213.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -2543.894756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.894756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.894756 (E_RNA) where: Base-Base interactions energy: -1742.391 where: short stacking energy: -745.327 Base-Backbone interact. energy: -4.564 local terms energy: -796.939623 where: bonds (distance) C4'-P energy: -150.478 bonds (distance) P-C4' energy: -142.789 flat angles C4'-P-C4' energy: -171.140 flat angles P-C4'-P energy: -112.773 tors. eta vs tors. theta energy: -219.760 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: 6, replica: 9 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -2244.855928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.855928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.855928 (E_RNA) where: Base-Base interactions energy: -1564.300 where: short stacking energy: -656.037 Base-Backbone interact. energy: 4.094 local terms energy: -684.650271 where: bonds (distance) C4'-P energy: -151.770 bonds (distance) P-C4' energy: -138.890 flat angles C4'-P-C4' energy: -148.638 flat angles P-C4'-P energy: -98.472 tors. eta vs tors. theta energy: -146.880 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: 7, replica: 8 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -2073.574333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.574333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.574333 (E_RNA) where: Base-Base interactions energy: -1415.155 where: short stacking energy: -613.325 Base-Backbone interact. energy: -3.407 local terms energy: -655.013034 where: bonds (distance) C4'-P energy: -137.738 bonds (distance) P-C4' energy: -121.138 flat angles C4'-P-C4' energy: -147.026 flat angles P-C4'-P energy: -90.830 tors. eta vs tors. theta energy: -158.281 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: 8, replica: 2 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1617.624147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.624147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.624147 (E_RNA) where: Base-Base interactions energy: -1038.761 where: short stacking energy: -478.720 Base-Backbone interact. energy: -0.520 local terms energy: -578.342737 where: bonds (distance) C4'-P energy: -122.855 bonds (distance) P-C4' energy: -130.740 flat angles C4'-P-C4' energy: -143.398 flat angles P-C4'-P energy: -87.701 tors. eta vs tors. theta energy: -93.648 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: 9, replica: 1 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -1109.171279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.171279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.171279 (E_RNA) where: Base-Base interactions energy: -624.531 where: short stacking energy: -325.999 Base-Backbone interact. energy: 3.976 local terms energy: -488.616397 where: bonds (distance) C4'-P energy: -116.545 bonds (distance) P-C4' energy: -125.993 flat angles C4'-P-C4' energy: -138.598 flat angles P-C4'-P energy: -81.505 tors. eta vs tors. theta energy: -25.975 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: 10, replica: 3 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -879.338153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.338153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.338153 (E_RNA) where: Base-Base interactions energy: -444.940 where: short stacking energy: -257.140 Base-Backbone interact. energy: -0.252 local terms energy: -434.146574 where: bonds (distance) C4'-P energy: -139.047 bonds (distance) P-C4' energy: -134.768 flat angles C4'-P-C4' energy: -118.539 flat angles P-C4'-P energy: -50.208 tors. eta vs tors. theta energy: 8.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -2916.556018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.556018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.556018 (E_RNA) where: Base-Base interactions energy: -2030.638 where: short stacking energy: -868.881 Base-Backbone interact. energy: -3.074 local terms energy: -882.843948 where: bonds (distance) C4'-P energy: -148.835 bonds (distance) P-C4' energy: -170.150 flat angles C4'-P-C4' energy: -180.235 flat angles P-C4'-P energy: -128.602 tors. eta vs tors. theta energy: -255.023 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: 7 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2837.939666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.939666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.939666 (E_RNA) where: Base-Base interactions energy: -1964.121 where: short stacking energy: -839.304 Base-Backbone interact. energy: -4.012 local terms energy: -869.806957 where: bonds (distance) C4'-P energy: -156.868 bonds (distance) P-C4' energy: -145.258 flat angles C4'-P-C4' energy: -184.665 flat angles P-C4'-P energy: -135.646 tors. eta vs tors. theta energy: -247.371 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: 3, replica: 10 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -2718.383402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.383402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.383402 (E_RNA) where: Base-Base interactions energy: -1888.760 where: short stacking energy: -802.125 Base-Backbone interact. energy: -2.008 local terms energy: -827.615417 where: bonds (distance) C4'-P energy: -160.488 bonds (distance) P-C4' energy: -166.802 flat angles C4'-P-C4' energy: -173.079 flat angles P-C4'-P energy: -102.010 tors. eta vs tors. theta energy: -225.235 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: 4, replica: 4 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -2570.447846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.447846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.447846 (E_RNA) where: Base-Base interactions energy: -1788.412 where: short stacking energy: -743.311 Base-Backbone interact. energy: -0.402 local terms energy: -781.633993 where: bonds (distance) C4'-P energy: -133.567 bonds (distance) P-C4' energy: -152.412 flat angles C4'-P-C4' energy: -177.980 flat angles P-C4'-P energy: -116.318 tors. eta vs tors. theta energy: -201.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -2492.497288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.497288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.497288 (E_RNA) where: Base-Base interactions energy: -1711.917 where: short stacking energy: -737.604 Base-Backbone interact. energy: -3.321 local terms energy: -777.258415 where: bonds (distance) C4'-P energy: -128.677 bonds (distance) P-C4' energy: -158.564 flat angles C4'-P-C4' energy: -172.118 flat angles P-C4'-P energy: -113.231 tors. eta vs tors. theta energy: -204.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -2184.933996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.933996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.933996 (E_RNA) where: Base-Base interactions energy: -1482.580 where: short stacking energy: -636.606 Base-Backbone interact. energy: -3.299 local terms energy: -699.054747 where: bonds (distance) C4'-P energy: -119.102 bonds (distance) P-C4' energy: -151.552 flat angles C4'-P-C4' energy: -152.121 flat angles P-C4'-P energy: -111.127 tors. eta vs tors. theta energy: -165.153 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: 8 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -2109.274649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.274649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.274649 (E_RNA) where: Base-Base interactions energy: -1427.688 where: short stacking energy: -643.166 Base-Backbone interact. energy: -2.070 local terms energy: -679.516604 where: bonds (distance) C4'-P energy: -122.999 bonds (distance) P-C4' energy: -140.409 flat angles C4'-P-C4' energy: -134.421 flat angles P-C4'-P energy: -104.299 tors. eta vs tors. theta energy: -177.389 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: 2 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1612.363912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.363912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.363912 (E_RNA) where: Base-Base interactions energy: -1052.846 where: short stacking energy: -476.348 Base-Backbone interact. energy: 0.780 local terms energy: -560.297326 where: bonds (distance) C4'-P energy: -118.306 bonds (distance) P-C4' energy: -129.002 flat angles C4'-P-C4' energy: -133.376 flat angles P-C4'-P energy: -79.913 tors. eta vs tors. theta energy: -99.699 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: 1 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -1121.673321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.673321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.673321 (E_RNA) where: Base-Base interactions energy: -643.174 where: short stacking energy: -299.340 Base-Backbone interact. energy: 2.327 local terms energy: -480.826285 where: bonds (distance) C4'-P energy: -122.123 bonds (distance) P-C4' energy: -139.382 flat angles C4'-P-C4' energy: -112.095 flat angles P-C4'-P energy: -89.012 tors. eta vs tors. theta energy: -18.213 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: 3 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -811.467889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.467889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.467889 (E_RNA) where: Base-Base interactions energy: -382.086 where: short stacking energy: -228.178 Base-Backbone interact. energy: 2.450 local terms energy: -431.832664 where: bonds (distance) C4'-P energy: -124.740 bonds (distance) P-C4' energy: -137.139 flat angles C4'-P-C4' energy: -114.436 flat angles P-C4'-P energy: -73.015 tors. eta vs tors. theta energy: 17.497 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: 6 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -2964.303210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.303210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.303210 (E_RNA) where: Base-Base interactions energy: -2060.593 where: short stacking energy: -888.739 Base-Backbone interact. energy: -3.408 local terms energy: -900.302563 where: bonds (distance) C4'-P energy: -160.366 bonds (distance) P-C4' energy: -156.893 flat angles C4'-P-C4' energy: -192.507 flat angles P-C4'-P energy: -126.205 tors. eta vs tors. theta energy: -264.332 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: 2, replica: 7 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -2834.117438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.117438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.117438 (E_RNA) where: Base-Base interactions energy: -1965.146 where: short stacking energy: -871.186 Base-Backbone interact. energy: -0.848 local terms energy: -868.123191 where: bonds (distance) C4'-P energy: -152.134 bonds (distance) P-C4' energy: -148.966 flat angles C4'-P-C4' energy: -178.662 flat angles P-C4'-P energy: -132.601 tors. eta vs tors. theta energy: -255.760 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: 3, replica: 10 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2757.600737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.600737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.600737 (E_RNA) where: Base-Base interactions energy: -1932.136 where: short stacking energy: -834.188 Base-Backbone interact. energy: -3.371 local terms energy: -822.092928 where: bonds (distance) C4'-P energy: -144.658 bonds (distance) P-C4' energy: -149.035 flat angles C4'-P-C4' energy: -173.525 flat angles P-C4'-P energy: -121.129 tors. eta vs tors. theta energy: -233.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -2543.641053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.641053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.641053 (E_RNA) where: Base-Base interactions energy: -1774.560 where: short stacking energy: -743.538 Base-Backbone interact. energy: -3.697 local terms energy: -765.383856 where: bonds (distance) C4'-P energy: -133.848 bonds (distance) P-C4' energy: -160.320 flat angles C4'-P-C4' energy: -171.680 flat angles P-C4'-P energy: -111.555 tors. eta vs tors. theta energy: -187.980 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: 5, replica: 5 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -2478.607810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.607810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.607810 (E_RNA) where: Base-Base interactions energy: -1711.088 where: short stacking energy: -714.105 Base-Backbone interact. energy: -2.073 local terms energy: -765.446388 where: bonds (distance) C4'-P energy: -137.814 bonds (distance) P-C4' energy: -167.725 flat angles C4'-P-C4' energy: -174.224 flat angles P-C4'-P energy: -97.204 tors. eta vs tors. theta energy: -188.479 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: 9 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -2200.444252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.444252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.444252 (E_RNA) where: Base-Base interactions energy: -1491.396 where: short stacking energy: -653.268 Base-Backbone interact. energy: 0.728 local terms energy: -709.776154 where: bonds (distance) C4'-P energy: -136.722 bonds (distance) P-C4' energy: -148.219 flat angles C4'-P-C4' energy: -161.014 flat angles P-C4'-P energy: -104.160 tors. eta vs tors. theta energy: -159.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -2075.369764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.369764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.369764 (E_RNA) where: Base-Base interactions energy: -1407.279 where: short stacking energy: -608.408 Base-Backbone interact. energy: -2.094 local terms energy: -665.996622 where: bonds (distance) C4'-P energy: -116.783 bonds (distance) P-C4' energy: -135.789 flat angles C4'-P-C4' energy: -154.591 flat angles P-C4'-P energy: -90.511 tors. eta vs tors. theta energy: -168.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1619.399307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.399307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.399307 (E_RNA) where: Base-Base interactions energy: -1046.913 where: short stacking energy: -509.432 Base-Backbone interact. energy: -1.512 local terms energy: -570.974132 where: bonds (distance) C4'-P energy: -121.070 bonds (distance) P-C4' energy: -131.375 flat angles C4'-P-C4' energy: -147.553 flat angles P-C4'-P energy: -75.546 tors. eta vs tors. theta energy: -95.431 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: 1 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -1087.180732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.180732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.180732 (E_RNA) where: Base-Base interactions energy: -618.385 where: short stacking energy: -321.021 Base-Backbone interact. energy: 2.102 local terms energy: -470.897810 where: bonds (distance) C4'-P energy: -118.524 bonds (distance) P-C4' energy: -140.148 flat angles C4'-P-C4' energy: -126.565 flat angles P-C4'-P energy: -66.570 tors. eta vs tors. theta energy: -19.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -850.587835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.587835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.587835 (E_RNA) where: Base-Base interactions energy: -411.089 where: short stacking energy: -246.555 Base-Backbone interact. energy: -3.935 local terms energy: -435.564408 where: bonds (distance) C4'-P energy: -120.502 bonds (distance) P-C4' energy: -148.346 flat angles C4'-P-C4' energy: -115.973 flat angles P-C4'-P energy: -48.112 tors. eta vs tors. theta energy: -2.632 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: 1, replica: 6 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -2954.229833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.229833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.229833 (E_RNA) where: Base-Base interactions energy: -2039.148 where: short stacking energy: -876.194 Base-Backbone interact. energy: 0.598 local terms energy: -915.680657 where: bonds (distance) C4'-P energy: -163.579 bonds (distance) P-C4' energy: -164.934 flat angles C4'-P-C4' energy: -194.995 flat angles P-C4'-P energy: -115.940 tors. eta vs tors. theta energy: -276.232 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: 7 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -2802.690887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.690887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.690887 (E_RNA) where: Base-Base interactions energy: -1936.160 where: short stacking energy: -842.508 Base-Backbone interact. energy: -6.463 local terms energy: -860.067989 where: bonds (distance) C4'-P energy: -158.809 bonds (distance) P-C4' energy: -165.418 flat angles C4'-P-C4' energy: -165.467 flat angles P-C4'-P energy: -125.176 tors. eta vs tors. theta energy: -245.198 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: 3, replica: 10 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -2730.713481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.713481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.713481 (E_RNA) where: Base-Base interactions energy: -1925.035 where: short stacking energy: -800.261 Base-Backbone interact. energy: -4.966 local terms energy: -800.712132 where: bonds (distance) C4'-P energy: -148.596 bonds (distance) P-C4' energy: -145.644 flat angles C4'-P-C4' energy: -176.681 flat angles P-C4'-P energy: -106.153 tors. eta vs tors. theta energy: -223.637 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: 4, replica: 4 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -2574.751119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.751119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.751119 (E_RNA) where: Base-Base interactions energy: -1790.153 where: short stacking energy: -743.858 Base-Backbone interact. energy: 1.701 local terms energy: -786.299361 where: bonds (distance) C4'-P energy: -162.283 bonds (distance) P-C4' energy: -157.187 flat angles C4'-P-C4' energy: -165.982 flat angles P-C4'-P energy: -104.905 tors. eta vs tors. theta energy: -195.943 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: 5 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -2444.258766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.258766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.258766 (E_RNA) where: Base-Base interactions energy: -1679.888 where: short stacking energy: -739.913 Base-Backbone interact. energy: -1.456 local terms energy: -762.914566 where: bonds (distance) C4'-P energy: -146.782 bonds (distance) P-C4' energy: -130.036 flat angles C4'-P-C4' energy: -168.446 flat angles P-C4'-P energy: -106.420 tors. eta vs tors. theta energy: -211.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -2207.391175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.391175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.391175 (E_RNA) where: Base-Base interactions energy: -1522.126 where: short stacking energy: -652.288 Base-Backbone interact. energy: -1.948 local terms energy: -683.317175 where: bonds (distance) C4'-P energy: -116.438 bonds (distance) P-C4' energy: -151.931 flat angles C4'-P-C4' energy: -152.874 flat angles P-C4'-P energy: -101.188 tors. eta vs tors. theta energy: -160.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -2021.473650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.473650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.473650 (E_RNA) where: Base-Base interactions energy: -1333.321 where: short stacking energy: -583.240 Base-Backbone interact. energy: -4.644 local terms energy: -683.508612 where: bonds (distance) C4'-P energy: -131.886 bonds (distance) P-C4' energy: -145.729 flat angles C4'-P-C4' energy: -161.620 flat angles P-C4'-P energy: -91.143 tors. eta vs tors. theta energy: -153.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1616.721875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.721875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.721875 (E_RNA) where: Base-Base interactions energy: -1035.833 where: short stacking energy: -460.277 Base-Backbone interact. energy: -1.458 local terms energy: -579.431586 where: bonds (distance) C4'-P energy: -120.223 bonds (distance) P-C4' energy: -147.672 flat angles C4'-P-C4' energy: -131.926 flat angles P-C4'-P energy: -97.722 tors. eta vs tors. theta energy: -81.889 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: 1 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -1065.330938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.330938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.330938 (E_RNA) where: Base-Base interactions energy: -568.057 where: short stacking energy: -300.442 Base-Backbone interact. energy: -2.244 local terms energy: -495.029790 where: bonds (distance) C4'-P energy: -123.182 bonds (distance) P-C4' energy: -132.357 flat angles C4'-P-C4' energy: -132.083 flat angles P-C4'-P energy: -65.704 tors. eta vs tors. theta energy: -41.704 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: 10, replica: 3 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -884.028110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.028110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.028110 (E_RNA) where: Base-Base interactions energy: -424.339 where: short stacking energy: -268.973 Base-Backbone interact. energy: 0.900 local terms energy: -460.589528 where: bonds (distance) C4'-P energy: -119.112 bonds (distance) P-C4' energy: -140.339 flat angles C4'-P-C4' energy: -126.833 flat angles P-C4'-P energy: -70.187 tors. eta vs tors. theta energy: -4.118 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: 6 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -2949.555103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.555103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.555103 (E_RNA) where: Base-Base interactions energy: -2034.725 where: short stacking energy: -886.797 Base-Backbone interact. energy: -3.274 local terms energy: -911.555612 where: bonds (distance) C4'-P energy: -175.204 bonds (distance) P-C4' energy: -164.959 flat angles C4'-P-C4' energy: -178.540 flat angles P-C4'-P energy: -137.943 tors. eta vs tors. theta energy: -254.909 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: 2, replica: 10 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -2775.272086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.272086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.272086 (E_RNA) where: Base-Base interactions energy: -1912.480 where: short stacking energy: -791.515 Base-Backbone interact. energy: -2.394 local terms energy: -860.398051 where: bonds (distance) C4'-P energy: -150.720 bonds (distance) P-C4' energy: -174.992 flat angles C4'-P-C4' energy: -171.354 flat angles P-C4'-P energy: -133.205 tors. eta vs tors. theta energy: -230.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -2782.513693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.513693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.513693 (E_RNA) where: Base-Base interactions energy: -1925.626 where: short stacking energy: -818.445 Base-Backbone interact. energy: -0.930 local terms energy: -855.958352 where: bonds (distance) C4'-P energy: -152.166 bonds (distance) P-C4' energy: -155.808 flat angles C4'-P-C4' energy: -180.576 flat angles P-C4'-P energy: -121.490 tors. eta vs tors. theta energy: -245.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -2634.640016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.640016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.640016 (E_RNA) where: Base-Base interactions energy: -1825.452 where: short stacking energy: -784.673 Base-Backbone interact. energy: 4.179 local terms energy: -813.367260 where: bonds (distance) C4'-P energy: -153.689 bonds (distance) P-C4' energy: -153.867 flat angles C4'-P-C4' energy: -175.789 flat angles P-C4'-P energy: -123.395 tors. eta vs tors. theta energy: -206.627 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: 5, replica: 5 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -2462.852223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.852223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.852223 (E_RNA) where: Base-Base interactions energy: -1720.350 where: short stacking energy: -744.573 Base-Backbone interact. energy: 0.596 local terms energy: -743.098040 where: bonds (distance) C4'-P energy: -138.403 bonds (distance) P-C4' energy: -148.088 flat angles C4'-P-C4' energy: -156.030 flat angles P-C4'-P energy: -94.469 tors. eta vs tors. theta energy: -206.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -2281.496384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.496384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.496384 (E_RNA) where: Base-Base interactions energy: -1617.086 where: short stacking energy: -681.091 Base-Backbone interact. energy: -4.469 local terms energy: -659.942207 where: bonds (distance) C4'-P energy: -112.089 bonds (distance) P-C4' energy: -133.800 flat angles C4'-P-C4' energy: -171.885 flat angles P-C4'-P energy: -76.243 tors. eta vs tors. theta energy: -165.924 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: 7, replica: 8 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -2042.889410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.889410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.889410 (E_RNA) where: Base-Base interactions energy: -1384.883 where: short stacking energy: -629.409 Base-Backbone interact. energy: 2.320 local terms energy: -660.326623 where: bonds (distance) C4'-P energy: -122.685 bonds (distance) P-C4' energy: -131.079 flat angles C4'-P-C4' energy: -158.363 flat angles P-C4'-P energy: -84.584 tors. eta vs tors. theta energy: -163.616 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: 8, replica: 2 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1575.498836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.498836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.498836 (E_RNA) where: Base-Base interactions energy: -1007.862 where: short stacking energy: -454.899 Base-Backbone interact. energy: -1.072 local terms energy: -566.565207 where: bonds (distance) C4'-P energy: -118.442 bonds (distance) P-C4' energy: -113.944 flat angles C4'-P-C4' energy: -148.393 flat angles P-C4'-P energy: -97.808 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: 9, replica: 1 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -1105.215442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.215442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.215442 (E_RNA) where: Base-Base interactions energy: -582.732 where: short stacking energy: -354.177 Base-Backbone interact. energy: -3.132 local terms energy: -519.351822 where: bonds (distance) C4'-P energy: -119.005 bonds (distance) P-C4' energy: -135.776 flat angles C4'-P-C4' energy: -138.456 flat angles P-C4'-P energy: -78.809 tors. eta vs tors. theta energy: -47.306 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: 3 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -869.018060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.018060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.018060 (E_RNA) where: Base-Base interactions energy: -396.430 where: short stacking energy: -261.388 Base-Backbone interact. energy: -0.467 local terms energy: -472.120809 where: bonds (distance) C4'-P energy: -133.201 bonds (distance) P-C4' energy: -150.146 flat angles C4'-P-C4' energy: -106.365 flat angles P-C4'-P energy: -75.430 tors. eta vs tors. theta energy: -6.979 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: 1, replica: 6 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -2960.868819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.868819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.868819 (E_RNA) where: Base-Base interactions energy: -2058.607 where: short stacking energy: -863.977 Base-Backbone interact. energy: -4.897 local terms energy: -897.364695 where: bonds (distance) C4'-P energy: -159.771 bonds (distance) P-C4' energy: -171.826 flat angles C4'-P-C4' energy: -179.985 flat angles P-C4'-P energy: -126.121 tors. eta vs tors. theta energy: -259.662 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: 10 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -2790.369185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.369185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.369185 (E_RNA) where: Base-Base interactions energy: -1900.374 where: short stacking energy: -805.084 Base-Backbone interact. energy: -5.923 local terms energy: -884.072068 where: bonds (distance) C4'-P energy: -158.037 bonds (distance) P-C4' energy: -156.147 flat angles C4'-P-C4' energy: -209.092 flat angles P-C4'-P energy: -134.286 tors. eta vs tors. theta energy: -226.510 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: 7 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2769.927855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.927855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.927855 (E_RNA) where: Base-Base interactions energy: -1897.203 where: short stacking energy: -820.630 Base-Backbone interact. energy: -4.070 local terms energy: -868.654878 where: bonds (distance) C4'-P energy: -147.610 bonds (distance) P-C4' energy: -162.222 flat angles C4'-P-C4' energy: -181.550 flat angles P-C4'-P energy: -130.751 tors. eta vs tors. theta energy: -246.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -2611.447362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.447362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.447362 (E_RNA) where: Base-Base interactions energy: -1823.736 where: short stacking energy: -759.061 Base-Backbone interact. energy: 0.776 local terms energy: -788.487080 where: bonds (distance) C4'-P energy: -140.628 bonds (distance) P-C4' energy: -155.812 flat angles C4'-P-C4' energy: -171.698 flat angles P-C4'-P energy: -109.585 tors. eta vs tors. theta energy: -210.764 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: 5 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -2477.163389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.163389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.163389 (E_RNA) where: Base-Base interactions energy: -1709.261 where: short stacking energy: -712.363 Base-Backbone interact. energy: -2.030 local terms energy: -765.872588 where: bonds (distance) C4'-P energy: -138.851 bonds (distance) P-C4' energy: -143.573 flat angles C4'-P-C4' energy: -164.798 flat angles P-C4'-P energy: -120.049 tors. eta vs tors. theta energy: -198.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -2228.368282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.368282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.368282 (E_RNA) where: Base-Base interactions energy: -1558.468 where: short stacking energy: -646.271 Base-Backbone interact. energy: 0.121 local terms energy: -670.021343 where: bonds (distance) C4'-P energy: -105.262 bonds (distance) P-C4' energy: -157.811 flat angles C4'-P-C4' energy: -151.751 flat angles P-C4'-P energy: -92.118 tors. eta vs tors. theta energy: -163.079 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: 8 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -2042.047026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.047026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.047026 (E_RNA) where: Base-Base interactions energy: -1377.734 where: short stacking energy: -619.863 Base-Backbone interact. energy: -2.529 local terms energy: -661.783455 where: bonds (distance) C4'-P energy: -143.586 bonds (distance) P-C4' energy: -128.329 flat angles C4'-P-C4' energy: -143.645 flat angles P-C4'-P energy: -88.303 tors. eta vs tors. theta energy: -157.921 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: 8, replica: 2 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1585.480874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.480874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.480874 (E_RNA) where: Base-Base interactions energy: -1020.398 where: short stacking energy: -474.934 Base-Backbone interact. energy: 2.505 local terms energy: -567.587870 where: bonds (distance) C4'-P energy: -136.854 bonds (distance) P-C4' energy: -127.834 flat angles C4'-P-C4' energy: -129.379 flat angles P-C4'-P energy: -86.129 tors. eta vs tors. theta energy: -87.392 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: 1 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -1027.994333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.994333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.994333 (E_RNA) where: Base-Base interactions energy: -573.366 where: short stacking energy: -325.674 Base-Backbone interact. energy: 5.474 local terms energy: -460.102317 where: bonds (distance) C4'-P energy: -147.735 bonds (distance) P-C4' energy: -111.109 flat angles C4'-P-C4' energy: -107.085 flat angles P-C4'-P energy: -74.168 tors. eta vs tors. theta energy: -20.005 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: 10, replica: 3 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -859.526113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.526113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.526113 (E_RNA) where: Base-Base interactions energy: -455.702 where: short stacking energy: -264.840 Base-Backbone interact. energy: -1.754 local terms energy: -402.071024 where: bonds (distance) C4'-P energy: -110.671 bonds (distance) P-C4' energy: -113.167 flat angles C4'-P-C4' energy: -101.650 flat angles P-C4'-P energy: -66.991 tors. eta vs tors. theta energy: -9.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -2934.462006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.462006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.462006 (E_RNA) where: Base-Base interactions energy: -2026.258 where: short stacking energy: -877.914 Base-Backbone interact. energy: -4.020 local terms energy: -904.183870 where: bonds (distance) C4'-P energy: -145.041 bonds (distance) P-C4' energy: -169.870 flat angles C4'-P-C4' energy: -195.247 flat angles P-C4'-P energy: -128.414 tors. eta vs tors. theta energy: -265.612 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: 7 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -2780.165119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.165119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.165119 (E_RNA) where: Base-Base interactions energy: -1924.322 where: short stacking energy: -832.374 Base-Backbone interact. energy: -3.086 local terms energy: -852.757224 where: bonds (distance) C4'-P energy: -131.860 bonds (distance) P-C4' energy: -174.006 flat angles C4'-P-C4' energy: -181.622 flat angles P-C4'-P energy: -119.511 tors. eta vs tors. theta energy: -245.758 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: 3, replica: 10 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -2733.112622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.112622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.112622 (E_RNA) where: Base-Base interactions energy: -1900.328 where: short stacking energy: -807.978 Base-Backbone interact. energy: -4.367 local terms energy: -828.417023 where: bonds (distance) C4'-P energy: -140.452 bonds (distance) P-C4' energy: -147.760 flat angles C4'-P-C4' energy: -176.648 flat angles P-C4'-P energy: -131.556 tors. eta vs tors. theta energy: -232.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -2515.657466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.657466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.657466 (E_RNA) where: Base-Base interactions energy: -1714.770 where: short stacking energy: -747.068 Base-Backbone interact. energy: -1.818 local terms energy: -799.069446 where: bonds (distance) C4'-P energy: -139.976 bonds (distance) P-C4' energy: -166.781 flat angles C4'-P-C4' energy: -157.125 flat angles P-C4'-P energy: -117.154 tors. eta vs tors. theta energy: -218.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -2471.163589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.163589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.163589 (E_RNA) where: Base-Base interactions energy: -1731.910 where: short stacking energy: -728.609 Base-Backbone interact. energy: 0.742 local terms energy: -739.995748 where: bonds (distance) C4'-P energy: -136.537 bonds (distance) P-C4' energy: -147.576 flat angles C4'-P-C4' energy: -158.267 flat angles P-C4'-P energy: -105.055 tors. eta vs tors. theta energy: -192.560 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: 6, replica: 9 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -2234.718484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.718484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.718484 (E_RNA) where: Base-Base interactions energy: -1504.433 where: short stacking energy: -663.144 Base-Backbone interact. energy: -1.499 local terms energy: -728.785879 where: bonds (distance) C4'-P energy: -146.236 bonds (distance) P-C4' energy: -157.326 flat angles C4'-P-C4' energy: -152.381 flat angles P-C4'-P energy: -109.450 tors. eta vs tors. theta energy: -163.394 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: 7, replica: 8 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1963.486133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.486133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.486133 (E_RNA) where: Base-Base interactions energy: -1323.115 where: short stacking energy: -579.059 Base-Backbone interact. energy: -3.952 local terms energy: -636.419609 where: bonds (distance) C4'-P energy: -131.330 bonds (distance) P-C4' energy: -141.643 flat angles C4'-P-C4' energy: -135.740 flat angles P-C4'-P energy: -83.489 tors. eta vs tors. theta energy: -144.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1574.409214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.409214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.409214 (E_RNA) where: Base-Base interactions energy: -1039.056 where: short stacking energy: -457.346 Base-Backbone interact. energy: 1.681 local terms energy: -537.034362 where: bonds (distance) C4'-P energy: -124.259 bonds (distance) P-C4' energy: -126.270 flat angles C4'-P-C4' energy: -137.600 flat angles P-C4'-P energy: -72.247 tors. eta vs tors. theta energy: -76.659 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: 1 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -1026.548897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.548897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.548897 (E_RNA) where: Base-Base interactions energy: -549.865 where: short stacking energy: -299.515 Base-Backbone interact. energy: -1.682 local terms energy: -475.002618 where: bonds (distance) C4'-P energy: -125.335 bonds (distance) P-C4' energy: -127.418 flat angles C4'-P-C4' energy: -120.690 flat angles P-C4'-P energy: -81.712 tors. eta vs tors. theta energy: -19.847 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: 10, replica: 3 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -887.748792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.748792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.748792 (E_RNA) where: Base-Base interactions energy: -447.088 where: short stacking energy: -264.030 Base-Backbone interact. energy: 10.924 local terms energy: -451.585474 where: bonds (distance) C4'-P energy: -142.537 bonds (distance) P-C4' energy: -125.365 flat angles C4'-P-C4' energy: -132.331 flat angles P-C4'-P energy: -58.247 tors. eta vs tors. theta energy: 6.894 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: 1, replica: 6 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -2972.716789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.716789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.716789 (E_RNA) where: Base-Base interactions energy: -2063.048 where: short stacking energy: -884.791 Base-Backbone interact. energy: -6.592 local terms energy: -903.077180 where: bonds (distance) C4'-P energy: -154.742 bonds (distance) P-C4' energy: -165.400 flat angles C4'-P-C4' energy: -194.442 flat angles P-C4'-P energy: -118.600 tors. eta vs tors. theta energy: -269.893 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: 2, replica: 7 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -2823.928247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.928247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.928247 (E_RNA) where: Base-Base interactions energy: -1975.227 where: short stacking energy: -833.130 Base-Backbone interact. energy: 5.810 local terms energy: -854.511679 where: bonds (distance) C4'-P energy: -165.959 bonds (distance) P-C4' energy: -155.668 flat angles C4'-P-C4' energy: -167.983 flat angles P-C4'-P energy: -117.615 tors. eta vs tors. theta energy: -247.287 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: 3, replica: 10 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -2712.843191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.843191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.843191 (E_RNA) where: Base-Base interactions energy: -1887.071 where: short stacking energy: -805.920 Base-Backbone interact. energy: -1.605 local terms energy: -824.166812 where: bonds (distance) C4'-P energy: -154.499 bonds (distance) P-C4' energy: -165.431 flat angles C4'-P-C4' energy: -173.329 flat angles P-C4'-P energy: -100.308 tors. eta vs tors. theta energy: -230.599 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: 5 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -2548.785173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.785173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.785173 (E_RNA) where: Base-Base interactions energy: -1782.185 where: short stacking energy: -787.886 Base-Backbone interact. energy: -5.101 local terms energy: -761.499023 where: bonds (distance) C4'-P energy: -123.320 bonds (distance) P-C4' energy: -146.593 flat angles C4'-P-C4' energy: -169.049 flat angles P-C4'-P energy: -100.822 tors. eta vs tors. theta energy: -221.715 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: 5, replica: 4 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -2484.765339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.765339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.765339 (E_RNA) where: Base-Base interactions energy: -1706.975 where: short stacking energy: -708.276 Base-Backbone interact. energy: -2.503 local terms energy: -775.287757 where: bonds (distance) C4'-P energy: -165.909 bonds (distance) P-C4' energy: -144.677 flat angles C4'-P-C4' energy: -172.552 flat angles P-C4'-P energy: -103.815 tors. eta vs tors. theta energy: -188.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -2249.317308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.317308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.317308 (E_RNA) where: Base-Base interactions energy: -1531.357 where: short stacking energy: -643.722 Base-Backbone interact. energy: 0.861 local terms energy: -718.821572 where: bonds (distance) C4'-P energy: -141.766 bonds (distance) P-C4' energy: -147.579 flat angles C4'-P-C4' energy: -155.293 flat angles P-C4'-P energy: -114.345 tors. eta vs tors. theta energy: -159.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -2037.207139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.207139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.207139 (E_RNA) where: Base-Base interactions energy: -1356.252 where: short stacking energy: -601.712 Base-Backbone interact. energy: -0.163 local terms energy: -680.791834 where: bonds (distance) C4'-P energy: -140.156 bonds (distance) P-C4' energy: -144.771 flat angles C4'-P-C4' energy: -159.626 flat angles P-C4'-P energy: -88.407 tors. eta vs tors. theta energy: -147.832 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: 2 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1558.828979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.828979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.828979 (E_RNA) where: Base-Base interactions energy: -1002.188 where: short stacking energy: -441.202 Base-Backbone interact. energy: 0.385 local terms energy: -557.026795 where: bonds (distance) C4'-P energy: -139.986 bonds (distance) P-C4' energy: -134.379 flat angles C4'-P-C4' energy: -138.639 flat angles P-C4'-P energy: -88.473 tors. eta vs tors. theta energy: -55.550 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: 1 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -1032.624265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.624265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.624265 (E_RNA) where: Base-Base interactions energy: -535.782 where: short stacking energy: -291.581 Base-Backbone interact. energy: 2.025 local terms energy: -498.867753 where: bonds (distance) C4'-P energy: -141.767 bonds (distance) P-C4' energy: -143.082 flat angles C4'-P-C4' energy: -112.238 flat angles P-C4'-P energy: -91.991 tors. eta vs tors. theta energy: -9.788 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: 3 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -854.873050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.873050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.873050 (E_RNA) where: Base-Base interactions energy: -435.161 where: short stacking energy: -226.698 Base-Backbone interact. energy: -0.980 local terms energy: -418.731981 where: bonds (distance) C4'-P energy: -114.999 bonds (distance) P-C4' energy: -141.342 flat angles C4'-P-C4' energy: -107.454 flat angles P-C4'-P energy: -69.237 tors. eta vs tors. theta energy: 14.301 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: 6 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -2973.436418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.436418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.436418 (E_RNA) where: Base-Base interactions energy: -2068.756 where: short stacking energy: -873.114 Base-Backbone interact. energy: -0.567 local terms energy: -904.113575 where: bonds (distance) C4'-P energy: -150.247 bonds (distance) P-C4' energy: -175.281 flat angles C4'-P-C4' energy: -195.436 flat angles P-C4'-P energy: -129.319 tors. eta vs tors. theta energy: -253.831 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: 7 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2827.621569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.621569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.621569 (E_RNA) where: Base-Base interactions energy: -1963.786 where: short stacking energy: -842.929 Base-Backbone interact. energy: -0.146 local terms energy: -863.689239 where: bonds (distance) C4'-P energy: -163.196 bonds (distance) P-C4' energy: -157.912 flat angles C4'-P-C4' energy: -182.704 flat angles P-C4'-P energy: -104.228 tors. eta vs tors. theta energy: -255.649 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: 3, replica: 10 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -2663.618888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.618888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.618888 (E_RNA) where: Base-Base interactions energy: -1863.147 where: short stacking energy: -798.967 Base-Backbone interact. energy: -1.646 local terms energy: -798.826166 where: bonds (distance) C4'-P energy: -143.455 bonds (distance) P-C4' energy: -136.766 flat angles C4'-P-C4' energy: -185.307 flat angles P-C4'-P energy: -117.382 tors. eta vs tors. theta energy: -215.916 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: 4, replica: 5 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -2594.694281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.694281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.694281 (E_RNA) where: Base-Base interactions energy: -1826.010 where: short stacking energy: -796.586 Base-Backbone interact. energy: 1.495 local terms energy: -770.179316 where: bonds (distance) C4'-P energy: -143.600 bonds (distance) P-C4' energy: -152.465 flat angles C4'-P-C4' energy: -160.809 flat angles P-C4'-P energy: -94.267 tors. eta vs tors. theta energy: -219.038 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: 4 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -2429.757823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.757823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.757823 (E_RNA) where: Base-Base interactions energy: -1683.715 where: short stacking energy: -703.081 Base-Backbone interact. energy: -2.901 local terms energy: -743.142564 where: bonds (distance) C4'-P energy: -162.270 bonds (distance) P-C4' energy: -149.570 flat angles C4'-P-C4' energy: -142.324 flat angles P-C4'-P energy: -88.770 tors. eta vs tors. theta energy: -200.208 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: 9 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -2278.340538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.340538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.340538 (E_RNA) where: Base-Base interactions energy: -1561.180 where: short stacking energy: -688.317 Base-Backbone interact. energy: -0.812 local terms energy: -716.348770 where: bonds (distance) C4'-P energy: -159.112 bonds (distance) P-C4' energy: -133.600 flat angles C4'-P-C4' energy: -142.405 flat angles P-C4'-P energy: -112.516 tors. eta vs tors. theta energy: -168.715 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: 7, replica: 8 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1993.686647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.686647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.686647 (E_RNA) where: Base-Base interactions energy: -1331.548 where: short stacking energy: -607.319 Base-Backbone interact. energy: -2.531 local terms energy: -659.607586 where: bonds (distance) C4'-P energy: -131.633 bonds (distance) P-C4' energy: -145.378 flat angles C4'-P-C4' energy: -145.940 flat angles P-C4'-P energy: -94.834 tors. eta vs tors. theta energy: -141.823 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: 8, replica: 2 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1471.646982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.646982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.646982 (E_RNA) where: Base-Base interactions energy: -904.306 where: short stacking energy: -431.319 Base-Backbone interact. energy: 8.938 local terms energy: -576.279350 where: bonds (distance) C4'-P energy: -130.952 bonds (distance) P-C4' energy: -143.897 flat angles C4'-P-C4' energy: -140.153 flat angles P-C4'-P energy: -81.878 tors. eta vs tors. theta energy: -79.399 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: 1 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -1109.292458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.292458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.292458 (E_RNA) where: Base-Base interactions energy: -605.425 where: short stacking energy: -329.093 Base-Backbone interact. energy: 1.841 local terms energy: -505.708643 where: bonds (distance) C4'-P energy: -139.254 bonds (distance) P-C4' energy: -138.615 flat angles C4'-P-C4' energy: -130.179 flat angles P-C4'-P energy: -68.629 tors. eta vs tors. theta energy: -29.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -911.993710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.993710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.993710 (E_RNA) where: Base-Base interactions energy: -450.119 where: short stacking energy: -300.363 Base-Backbone interact. energy: -1.667 local terms energy: -460.208018 where: bonds (distance) C4'-P energy: -125.329 bonds (distance) P-C4' energy: -138.893 flat angles C4'-P-C4' energy: -115.170 flat angles P-C4'-P energy: -66.759 tors. eta vs tors. theta energy: -14.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -2973.741551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.741551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.741551 (E_RNA) where: Base-Base interactions energy: -2076.478 where: short stacking energy: -891.146 Base-Backbone interact. energy: -3.970 local terms energy: -893.294060 where: bonds (distance) C4'-P energy: -146.588 bonds (distance) P-C4' energy: -161.262 flat angles C4'-P-C4' energy: -198.133 flat angles P-C4'-P energy: -129.163 tors. eta vs tors. theta energy: -258.148 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: 7 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2835.126722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.126722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.126722 (E_RNA) where: Base-Base interactions energy: -1958.459 where: short stacking energy: -868.468 Base-Backbone interact. energy: -4.688 local terms energy: -871.978903 where: bonds (distance) C4'-P energy: -147.763 bonds (distance) P-C4' energy: -169.544 flat angles C4'-P-C4' energy: -182.360 flat angles P-C4'-P energy: -126.331 tors. eta vs tors. theta energy: -245.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -2686.638131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.638131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.638131 (E_RNA) where: Base-Base interactions energy: -1869.452 where: short stacking energy: -791.751 Base-Backbone interact. energy: 2.979 local terms energy: -820.165166 where: bonds (distance) C4'-P energy: -146.233 bonds (distance) P-C4' energy: -159.081 flat angles C4'-P-C4' energy: -179.073 flat angles P-C4'-P energy: -120.596 tors. eta vs tors. theta energy: -215.182 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: 5 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -2607.965503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.965503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.965503 (E_RNA) where: Base-Base interactions energy: -1815.398 where: short stacking energy: -766.698 Base-Backbone interact. energy: -4.922 local terms energy: -787.645692 where: bonds (distance) C4'-P energy: -159.717 bonds (distance) P-C4' energy: -133.178 flat angles C4'-P-C4' energy: -167.363 flat angles P-C4'-P energy: -103.650 tors. eta vs tors. theta energy: -223.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -2476.526031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.526031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.526031 (E_RNA) where: Base-Base interactions energy: -1716.665 where: short stacking energy: -720.270 Base-Backbone interact. energy: -2.599 local terms energy: -757.262271 where: bonds (distance) C4'-P energy: -127.224 bonds (distance) P-C4' energy: -147.051 flat angles C4'-P-C4' energy: -159.234 flat angles P-C4'-P energy: -116.710 tors. eta vs tors. theta energy: -207.044 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: 6, replica: 9 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -2316.785943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.785943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.785943 (E_RNA) where: Base-Base interactions energy: -1581.425 where: short stacking energy: -692.244 Base-Backbone interact. energy: -0.853 local terms energy: -734.508702 where: bonds (distance) C4'-P energy: -123.951 bonds (distance) P-C4' energy: -145.981 flat angles C4'-P-C4' energy: -165.448 flat angles P-C4'-P energy: -115.080 tors. eta vs tors. theta energy: -184.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -2008.777650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.777650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.777650 (E_RNA) where: Base-Base interactions energy: -1373.408 where: short stacking energy: -609.532 Base-Backbone interact. energy: 4.684 local terms energy: -640.053741 where: bonds (distance) C4'-P energy: -125.171 bonds (distance) P-C4' energy: -128.380 flat angles C4'-P-C4' energy: -147.709 flat angles P-C4'-P energy: -85.946 tors. eta vs tors. theta energy: -152.847 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: 2 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1560.707741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.707741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.707741 (E_RNA) where: Base-Base interactions energy: -1013.542 where: short stacking energy: -465.073 Base-Backbone interact. energy: 1.242 local terms energy: -548.407331 where: bonds (distance) C4'-P energy: -108.921 bonds (distance) P-C4' energy: -147.869 flat angles C4'-P-C4' energy: -128.397 flat angles P-C4'-P energy: -76.915 tors. eta vs tors. theta energy: -86.305 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: 9, replica: 1 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -1080.159706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.159706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.159706 (E_RNA) where: Base-Base interactions energy: -604.773 where: short stacking energy: -326.032 Base-Backbone interact. energy: -1.036 local terms energy: -474.350174 where: bonds (distance) C4'-P energy: -119.713 bonds (distance) P-C4' energy: -140.577 flat angles C4'-P-C4' energy: -114.498 flat angles P-C4'-P energy: -67.630 tors. eta vs tors. theta energy: -31.932 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: 3 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -919.190134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.190134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.190134 (E_RNA) where: Base-Base interactions energy: -460.972 where: short stacking energy: -277.709 Base-Backbone interact. energy: 8.555 local terms energy: -466.773083 where: bonds (distance) C4'-P energy: -120.555 bonds (distance) P-C4' energy: -144.637 flat angles C4'-P-C4' energy: -113.505 flat angles P-C4'-P energy: -63.719 tors. eta vs tors. theta energy: -24.357 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: 6 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -2981.368029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.368029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.368029 (E_RNA) where: Base-Base interactions energy: -2056.589 where: short stacking energy: -883.119 Base-Backbone interact. energy: -3.823 local terms energy: -920.955891 where: bonds (distance) C4'-P energy: -162.208 bonds (distance) P-C4' energy: -171.021 flat angles C4'-P-C4' energy: -188.916 flat angles P-C4'-P energy: -133.578 tors. eta vs tors. theta energy: -265.233 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: 2, replica: 7 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -2856.597877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.597877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.597877 (E_RNA) where: Base-Base interactions energy: -1984.794 where: short stacking energy: -877.774 Base-Backbone interact. energy: 9.564 local terms energy: -881.368795 where: bonds (distance) C4'-P energy: -143.928 bonds (distance) P-C4' energy: -152.512 flat angles C4'-P-C4' energy: -198.618 flat angles P-C4'-P energy: -131.165 tors. eta vs tors. theta energy: -255.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -2686.687364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.687364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.687364 (E_RNA) where: Base-Base interactions energy: -1885.309 where: short stacking energy: -808.451 Base-Backbone interact. energy: -0.324 local terms energy: -801.054774 where: bonds (distance) C4'-P energy: -139.750 bonds (distance) P-C4' energy: -154.978 flat angles C4'-P-C4' energy: -180.448 flat angles P-C4'-P energy: -126.240 tors. eta vs tors. theta energy: -199.639 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: 5 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -2554.690579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.690579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.690579 (E_RNA) where: Base-Base interactions energy: -1757.209 where: short stacking energy: -755.041 Base-Backbone interact. energy: -2.638 local terms energy: -794.842953 where: bonds (distance) C4'-P energy: -154.555 bonds (distance) P-C4' energy: -136.333 flat angles C4'-P-C4' energy: -177.891 flat angles P-C4'-P energy: -122.656 tors. eta vs tors. theta energy: -203.407 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: 4 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -2416.807668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.807668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.807668 (E_RNA) where: Base-Base interactions energy: -1651.898 where: short stacking energy: -677.361 Base-Backbone interact. energy: -4.342 local terms energy: -760.568305 where: bonds (distance) C4'-P energy: -131.433 bonds (distance) P-C4' energy: -159.439 flat angles C4'-P-C4' energy: -166.706 flat angles P-C4'-P energy: -99.982 tors. eta vs tors. theta energy: -203.007 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: 6, replica: 9 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -2259.256311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.256311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.256311 (E_RNA) where: Base-Base interactions energy: -1546.215 where: short stacking energy: -678.163 Base-Backbone interact. energy: 2.582 local terms energy: -715.623776 where: bonds (distance) C4'-P energy: -138.623 bonds (distance) P-C4' energy: -142.350 flat angles C4'-P-C4' energy: -175.465 flat angles P-C4'-P energy: -99.994 tors. eta vs tors. theta energy: -159.191 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: 8 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -2055.260779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.260779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.260779 (E_RNA) where: Base-Base interactions energy: -1366.191 where: short stacking energy: -590.578 Base-Backbone interact. energy: -2.861 local terms energy: -686.208591 where: bonds (distance) C4'-P energy: -133.263 bonds (distance) P-C4' energy: -152.234 flat angles C4'-P-C4' energy: -161.421 flat angles P-C4'-P energy: -83.582 tors. eta vs tors. theta energy: -155.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1622.958054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.958054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.958054 (E_RNA) where: Base-Base interactions energy: -1061.055 where: short stacking energy: -486.095 Base-Backbone interact. energy: 0.346 local terms energy: -562.249189 where: bonds (distance) C4'-P energy: -111.610 bonds (distance) P-C4' energy: -141.155 flat angles C4'-P-C4' energy: -129.113 flat angles P-C4'-P energy: -86.173 tors. eta vs tors. theta energy: -94.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -1179.773820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.773820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.773820 (E_RNA) where: Base-Base interactions energy: -715.105 where: short stacking energy: -349.802 Base-Backbone interact. energy: 6.556 local terms energy: -471.225186 where: bonds (distance) C4'-P energy: -128.423 bonds (distance) P-C4' energy: -130.637 flat angles C4'-P-C4' energy: -126.099 flat angles P-C4'-P energy: -59.623 tors. eta vs tors. theta energy: -26.443 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: 3 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -864.388265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.388265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.388265 (E_RNA) where: Base-Base interactions energy: -428.918 where: short stacking energy: -279.609 Base-Backbone interact. energy: -1.491 local terms energy: -433.979793 where: bonds (distance) C4'-P energy: -123.676 bonds (distance) P-C4' energy: -145.095 flat angles C4'-P-C4' energy: -119.773 flat angles P-C4'-P energy: -49.234 tors. eta vs tors. theta energy: 3.799 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: 6 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -2967.157124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.157124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.157124 (E_RNA) where: Base-Base interactions energy: -2063.425 where: short stacking energy: -888.910 Base-Backbone interact. energy: -2.184 local terms energy: -901.547869 where: bonds (distance) C4'-P energy: -163.217 bonds (distance) P-C4' energy: -145.145 flat angles C4'-P-C4' energy: -198.923 flat angles P-C4'-P energy: -133.410 tors. eta vs tors. theta energy: -260.852 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: 2, replica: 7 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -2837.687995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.687995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.687995 (E_RNA) where: Base-Base interactions energy: -1963.662 where: short stacking energy: -863.908 Base-Backbone interact. energy: -4.767 local terms energy: -869.259043 where: bonds (distance) C4'-P energy: -153.720 bonds (distance) P-C4' energy: -146.240 flat angles C4'-P-C4' energy: -202.770 flat angles P-C4'-P energy: -114.491 tors. eta vs tors. theta energy: -252.037 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: 3, replica: 10 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2666.676956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.676956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.676956 (E_RNA) where: Base-Base interactions energy: -1837.392 where: short stacking energy: -781.369 Base-Backbone interact. energy: -3.586 local terms energy: -825.699341 where: bonds (distance) C4'-P energy: -143.228 bonds (distance) P-C4' energy: -158.441 flat angles C4'-P-C4' energy: -179.822 flat angles P-C4'-P energy: -120.614 tors. eta vs tors. theta energy: -223.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -2573.847675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.847675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.847675 (E_RNA) where: Base-Base interactions energy: -1794.028 where: short stacking energy: -771.344 Base-Backbone interact. energy: -0.148 local terms energy: -779.670846 where: bonds (distance) C4'-P energy: -144.430 bonds (distance) P-C4' energy: -144.959 flat angles C4'-P-C4' energy: -167.239 flat angles P-C4'-P energy: -99.698 tors. eta vs tors. theta energy: -223.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -2386.121122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.121122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.121122 (E_RNA) where: Base-Base interactions energy: -1651.515 where: short stacking energy: -700.188 Base-Backbone interact. energy: 2.907 local terms energy: -737.512803 where: bonds (distance) C4'-P energy: -136.047 bonds (distance) P-C4' energy: -158.070 flat angles C4'-P-C4' energy: -152.605 flat angles P-C4'-P energy: -113.129 tors. eta vs tors. theta energy: -177.662 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: 6, replica: 9 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -2257.698088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.698088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.698088 (E_RNA) where: Base-Base interactions energy: -1559.191 where: short stacking energy: -691.215 Base-Backbone interact. energy: 3.291 local terms energy: -701.797643 where: bonds (distance) C4'-P energy: -128.694 bonds (distance) P-C4' energy: -138.106 flat angles C4'-P-C4' energy: -159.831 flat angles P-C4'-P energy: -103.133 tors. eta vs tors. theta energy: -172.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -2061.655941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.655941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.655941 (E_RNA) where: Base-Base interactions energy: -1399.595 where: short stacking energy: -615.543 Base-Backbone interact. energy: 0.142 local terms energy: -662.203155 where: bonds (distance) C4'-P energy: -126.421 bonds (distance) P-C4' energy: -140.275 flat angles C4'-P-C4' energy: -160.719 flat angles P-C4'-P energy: -80.601 tors. eta vs tors. theta energy: -154.187 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: 8, replica: 2 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1599.642516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.642516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.642516 (E_RNA) where: Base-Base interactions energy: -1035.897 where: short stacking energy: -466.992 Base-Backbone interact. energy: 1.657 local terms energy: -565.402361 where: bonds (distance) C4'-P energy: -123.887 bonds (distance) P-C4' energy: -144.274 flat angles C4'-P-C4' energy: -119.716 flat angles P-C4'-P energy: -69.293 tors. eta vs tors. theta energy: -108.232 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: 1 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -1229.960717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.960717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.960717 (E_RNA) where: Base-Base interactions energy: -785.742 where: short stacking energy: -381.385 Base-Backbone interact. energy: -1.374 local terms energy: -442.845351 where: bonds (distance) C4'-P energy: -114.699 bonds (distance) P-C4' energy: -139.704 flat angles C4'-P-C4' energy: -93.150 flat angles P-C4'-P energy: -53.768 tors. eta vs tors. theta energy: -41.524 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: 10, replica: 3 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -918.582495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.582495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.582495 (E_RNA) where: Base-Base interactions energy: -508.292 where: short stacking energy: -261.240 Base-Backbone interact. energy: 1.514 local terms energy: -411.804556 where: bonds (distance) C4'-P energy: -136.330 bonds (distance) P-C4' energy: -105.571 flat angles C4'-P-C4' energy: -122.103 flat angles P-C4'-P energy: -60.197 tors. eta vs tors. theta energy: 12.396 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: 1, replica: 6 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -2922.208377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.208377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.208377 (E_RNA) where: Base-Base interactions energy: -2007.506 where: short stacking energy: -865.999 Base-Backbone interact. energy: -3.871 local terms energy: -910.831284 where: bonds (distance) C4'-P energy: -171.099 bonds (distance) P-C4' energy: -176.823 flat angles C4'-P-C4' energy: -186.250 flat angles P-C4'-P energy: -125.780 tors. eta vs tors. theta energy: -250.879 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: 7 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2815.160925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.160925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.160925 (E_RNA) where: Base-Base interactions energy: -1964.519 where: short stacking energy: -865.964 Base-Backbone interact. energy: -0.738 local terms energy: -849.903736 where: bonds (distance) C4'-P energy: -145.233 bonds (distance) P-C4' energy: -160.482 flat angles C4'-P-C4' energy: -178.458 flat angles P-C4'-P energy: -122.124 tors. eta vs tors. theta energy: -243.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2705.734399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.734399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.734399 (E_RNA) where: Base-Base interactions energy: -1899.025 where: short stacking energy: -775.310 Base-Backbone interact. energy: 0.671 local terms energy: -807.379598 where: bonds (distance) C4'-P energy: -134.472 bonds (distance) P-C4' energy: -157.434 flat angles C4'-P-C4' energy: -183.039 flat angles P-C4'-P energy: -112.654 tors. eta vs tors. theta energy: -219.781 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: 4, replica: 5 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -2574.216209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.216209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.216209 (E_RNA) where: Base-Base interactions energy: -1802.356 where: short stacking energy: -769.903 Base-Backbone interact. energy: -0.452 local terms energy: -771.408572 where: bonds (distance) C4'-P energy: -121.592 bonds (distance) P-C4' energy: -154.134 flat angles C4'-P-C4' energy: -174.519 flat angles P-C4'-P energy: -109.696 tors. eta vs tors. theta energy: -211.467 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: 4 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -2434.291568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.291568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.291568 (E_RNA) where: Base-Base interactions energy: -1710.979 where: short stacking energy: -720.074 Base-Backbone interact. energy: -1.302 local terms energy: -722.010736 where: bonds (distance) C4'-P energy: -133.060 bonds (distance) P-C4' energy: -150.109 flat angles C4'-P-C4' energy: -150.243 flat angles P-C4'-P energy: -91.241 tors. eta vs tors. theta energy: -197.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -2277.216214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.216214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.216214 (E_RNA) where: Base-Base interactions energy: -1567.034 where: short stacking energy: -687.142 Base-Backbone interact. energy: -0.736 local terms energy: -709.446448 where: bonds (distance) C4'-P energy: -127.739 bonds (distance) P-C4' energy: -141.855 flat angles C4'-P-C4' energy: -159.852 flat angles P-C4'-P energy: -107.768 tors. eta vs tors. theta energy: -172.232 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: 8 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -2069.664553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.664553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.664553 (E_RNA) where: Base-Base interactions energy: -1373.008 where: short stacking energy: -619.005 Base-Backbone interact. energy: 1.885 local terms energy: -698.541342 where: bonds (distance) C4'-P energy: -133.840 bonds (distance) P-C4' energy: -151.174 flat angles C4'-P-C4' energy: -153.663 flat angles P-C4'-P energy: -98.815 tors. eta vs tors. theta energy: -161.050 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: 2 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1620.295389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.295389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.295389 (E_RNA) where: Base-Base interactions energy: -1046.961 where: short stacking energy: -457.074 Base-Backbone interact. energy: -1.257 local terms energy: -572.076695 where: bonds (distance) C4'-P energy: -108.014 bonds (distance) P-C4' energy: -144.262 flat angles C4'-P-C4' energy: -144.696 flat angles P-C4'-P energy: -96.989 tors. eta vs tors. theta energy: -78.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -1276.857454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.857454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.857454 (E_RNA) where: Base-Base interactions energy: -758.814 where: short stacking energy: -363.544 Base-Backbone interact. energy: 3.159 local terms energy: -521.202990 where: bonds (distance) C4'-P energy: -141.733 bonds (distance) P-C4' energy: -129.784 flat angles C4'-P-C4' energy: -147.208 flat angles P-C4'-P energy: -63.131 tors. eta vs tors. theta energy: -39.348 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: 10, replica: 3 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -987.935196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.935196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.935196 (E_RNA) where: Base-Base interactions energy: -530.837 where: short stacking energy: -270.278 Base-Backbone interact. energy: -1.278 local terms energy: -455.820375 where: bonds (distance) C4'-P energy: -128.860 bonds (distance) P-C4' energy: -145.465 flat angles C4'-P-C4' energy: -110.725 flat angles P-C4'-P energy: -43.778 tors. eta vs tors. theta energy: -26.992 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: 1, replica: 6 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -2933.810328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.810328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.810328 (E_RNA) where: Base-Base interactions energy: -2028.968 where: short stacking energy: -884.195 Base-Backbone interact. energy: -1.269 local terms energy: -903.573655 where: bonds (distance) C4'-P energy: -141.605 bonds (distance) P-C4' energy: -162.172 flat angles C4'-P-C4' energy: -191.275 flat angles P-C4'-P energy: -145.332 tors. eta vs tors. theta energy: -263.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2826.965747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.965747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.965747 (E_RNA) where: Base-Base interactions energy: -1937.490 where: short stacking energy: -864.539 Base-Backbone interact. energy: -4.688 local terms energy: -884.788242 where: bonds (distance) C4'-P energy: -165.529 bonds (distance) P-C4' energy: -151.715 flat angles C4'-P-C4' energy: -181.855 flat angles P-C4'-P energy: -135.009 tors. eta vs tors. theta energy: -250.680 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: 3, replica: 10 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -2703.796106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.796106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.796106 (E_RNA) where: Base-Base interactions energy: -1906.066 where: short stacking energy: -808.518 Base-Backbone interact. energy: -4.429 local terms energy: -793.301206 where: bonds (distance) C4'-P energy: -161.886 bonds (distance) P-C4' energy: -125.773 flat angles C4'-P-C4' energy: -173.316 flat angles P-C4'-P energy: -109.310 tors. eta vs tors. theta energy: -223.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -2545.941792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.941792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.941792 (E_RNA) where: Base-Base interactions energy: -1761.949 where: short stacking energy: -758.475 Base-Backbone interact. energy: -0.812 local terms energy: -783.181168 where: bonds (distance) C4'-P energy: -137.256 bonds (distance) P-C4' energy: -152.190 flat angles C4'-P-C4' energy: -174.022 flat angles P-C4'-P energy: -125.039 tors. eta vs tors. theta energy: -194.675 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: 5, replica: 4 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -2494.898404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.898404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.898404 (E_RNA) where: Base-Base interactions energy: -1735.702 where: short stacking energy: -756.981 Base-Backbone interact. energy: -1.137 local terms energy: -758.059150 where: bonds (distance) C4'-P energy: -151.488 bonds (distance) P-C4' energy: -145.460 flat angles C4'-P-C4' energy: -152.514 flat angles P-C4'-P energy: -115.953 tors. eta vs tors. theta energy: -192.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -2268.697517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.697517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.697517 (E_RNA) where: Base-Base interactions energy: -1564.906 where: short stacking energy: -695.801 Base-Backbone interact. energy: -2.228 local terms energy: -701.563615 where: bonds (distance) C4'-P energy: -145.126 bonds (distance) P-C4' energy: -127.418 flat angles C4'-P-C4' energy: -164.773 flat angles P-C4'-P energy: -88.377 tors. eta vs tors. theta energy: -175.870 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: 7, replica: 8 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -2054.115347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.115347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.115347 (E_RNA) where: Base-Base interactions energy: -1384.513 where: short stacking energy: -639.059 Base-Backbone interact. energy: 1.270 local terms energy: -670.872111 where: bonds (distance) C4'-P energy: -111.327 bonds (distance) P-C4' energy: -138.777 flat angles C4'-P-C4' energy: -163.794 flat angles P-C4'-P energy: -97.702 tors. eta vs tors. theta energy: -159.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1610.181089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.181089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.181089 (E_RNA) where: Base-Base interactions energy: -1061.971 where: short stacking energy: -486.933 Base-Backbone interact. energy: -1.264 local terms energy: -546.946737 where: bonds (distance) C4'-P energy: -106.657 bonds (distance) P-C4' energy: -141.908 flat angles C4'-P-C4' energy: -128.014 flat angles P-C4'-P energy: -82.870 tors. eta vs tors. theta energy: -87.497 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: 9, replica: 1 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -1315.856220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.856220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.856220 (E_RNA) where: Base-Base interactions energy: -808.465 where: short stacking energy: -380.881 Base-Backbone interact. energy: 5.970 local terms energy: -513.360627 where: bonds (distance) C4'-P energy: -118.107 bonds (distance) P-C4' energy: -140.236 flat angles C4'-P-C4' energy: -127.163 flat angles P-C4'-P energy: -65.048 tors. eta vs tors. theta energy: -62.807 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: 10, replica: 3 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -957.332169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.332169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.332169 (E_RNA) where: Base-Base interactions energy: -521.197 where: short stacking energy: -277.626 Base-Backbone interact. energy: -0.564 local terms energy: -435.570590 where: bonds (distance) C4'-P energy: -109.046 bonds (distance) P-C4' energy: -148.367 flat angles C4'-P-C4' energy: -103.865 flat angles P-C4'-P energy: -69.661 tors. eta vs tors. theta energy: -4.632 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: 1, replica: 6 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -2917.084419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.084419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.084419 (E_RNA) where: Base-Base interactions energy: -2024.663 where: short stacking energy: -836.311 Base-Backbone interact. energy: -2.220 local terms energy: -890.200964 where: bonds (distance) C4'-P energy: -158.773 bonds (distance) P-C4' energy: -168.523 flat angles C4'-P-C4' energy: -183.315 flat angles P-C4'-P energy: -131.415 tors. eta vs tors. theta energy: -248.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -2829.115025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.115025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.115025 (E_RNA) where: Base-Base interactions energy: -1924.144 where: short stacking energy: -854.115 Base-Backbone interact. energy: -3.683 local terms energy: -901.287802 where: bonds (distance) C4'-P energy: -166.876 bonds (distance) P-C4' energy: -153.576 flat angles C4'-P-C4' energy: -187.295 flat angles P-C4'-P energy: -136.024 tors. eta vs tors. theta energy: -257.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -2702.214236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.214236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.214236 (E_RNA) where: Base-Base interactions energy: -1911.669 where: short stacking energy: -785.881 Base-Backbone interact. energy: -3.253 local terms energy: -787.292085 where: bonds (distance) C4'-P energy: -128.143 bonds (distance) P-C4' energy: -155.841 flat angles C4'-P-C4' energy: -174.991 flat angles P-C4'-P energy: -105.261 tors. eta vs tors. theta energy: -223.056 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: 4, replica: 5 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -2535.057382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.057382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.057382 (E_RNA) where: Base-Base interactions energy: -1785.446 where: short stacking energy: -759.780 Base-Backbone interact. energy: -2.000 local terms energy: -747.611954 where: bonds (distance) C4'-P energy: -131.425 bonds (distance) P-C4' energy: -140.155 flat angles C4'-P-C4' energy: -156.115 flat angles P-C4'-P energy: -110.809 tors. eta vs tors. theta energy: -209.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -2468.645335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.645335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.645335 (E_RNA) where: Base-Base interactions energy: -1681.868 where: short stacking energy: -719.359 Base-Backbone interact. energy: -2.141 local terms energy: -784.636989 where: bonds (distance) C4'-P energy: -144.146 bonds (distance) P-C4' energy: -166.696 flat angles C4'-P-C4' energy: -161.338 flat angles P-C4'-P energy: -120.538 tors. eta vs tors. theta energy: -191.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -2209.985577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.985577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.985577 (E_RNA) where: Base-Base interactions energy: -1555.165 where: short stacking energy: -663.991 Base-Backbone interact. energy: -1.716 local terms energy: -653.105013 where: bonds (distance) C4'-P energy: -117.266 bonds (distance) P-C4' energy: -146.797 flat angles C4'-P-C4' energy: -149.779 flat angles P-C4'-P energy: -87.717 tors. eta vs tors. theta energy: -151.546 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: 7, replica: 8 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -2101.346044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.346044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.346044 (E_RNA) where: Base-Base interactions energy: -1405.884 where: short stacking energy: -628.668 Base-Backbone interact. energy: -0.801 local terms energy: -694.660332 where: bonds (distance) C4'-P energy: -126.182 bonds (distance) P-C4' energy: -147.665 flat angles C4'-P-C4' energy: -148.128 flat angles P-C4'-P energy: -100.939 tors. eta vs tors. theta energy: -171.746 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: 8, replica: 2 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1607.001592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.001592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.001592 (E_RNA) where: Base-Base interactions energy: -1018.458 where: short stacking energy: -449.936 Base-Backbone interact. energy: -0.205 local terms energy: -588.338336 where: bonds (distance) C4'-P energy: -140.185 bonds (distance) P-C4' energy: -156.120 flat angles C4'-P-C4' energy: -132.229 flat angles P-C4'-P energy: -76.117 tors. eta vs tors. theta energy: -83.687 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: 1 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -1278.138121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.138121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.138121 (E_RNA) where: Base-Base interactions energy: -768.468 where: short stacking energy: -366.014 Base-Backbone interact. energy: -0.745 local terms energy: -508.925370 where: bonds (distance) C4'-P energy: -117.303 bonds (distance) P-C4' energy: -160.951 flat angles C4'-P-C4' energy: -117.261 flat angles P-C4'-P energy: -70.294 tors. eta vs tors. theta energy: -43.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -876.501925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.501925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.501925 (E_RNA) where: Base-Base interactions energy: -432.595 where: short stacking energy: -265.006 Base-Backbone interact. energy: -6.142 local terms energy: -437.764903 where: bonds (distance) C4'-P energy: -141.737 bonds (distance) P-C4' energy: -134.835 flat angles C4'-P-C4' energy: -110.490 flat angles P-C4'-P energy: -50.640 tors. eta vs tors. theta energy: -0.062 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: 6 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -2955.441556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.441556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.441556 (E_RNA) where: Base-Base interactions energy: -2057.961 where: short stacking energy: -852.139 Base-Backbone interact. energy: -1.064 local terms energy: -896.416845 where: bonds (distance) C4'-P energy: -163.922 bonds (distance) P-C4' energy: -179.063 flat angles C4'-P-C4' energy: -182.442 flat angles P-C4'-P energy: -117.468 tors. eta vs tors. theta energy: -253.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -2843.900994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.900994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.900994 (E_RNA) where: Base-Base interactions energy: -1948.346 where: short stacking energy: -868.696 Base-Backbone interact. energy: -4.164 local terms energy: -891.391306 where: bonds (distance) C4'-P energy: -171.674 bonds (distance) P-C4' energy: -164.477 flat angles C4'-P-C4' energy: -184.212 flat angles P-C4'-P energy: -122.732 tors. eta vs tors. theta energy: -248.297 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: 3, replica: 10 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -2740.839896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.839896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.839896 (E_RNA) where: Base-Base interactions energy: -1923.657 where: short stacking energy: -816.310 Base-Backbone interact. energy: 0.425 local terms energy: -817.608800 where: bonds (distance) C4'-P energy: -138.163 bonds (distance) P-C4' energy: -164.714 flat angles C4'-P-C4' energy: -172.273 flat angles P-C4'-P energy: -108.251 tors. eta vs tors. theta energy: -234.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -2522.253696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.253696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.253696 (E_RNA) where: Base-Base interactions energy: -1752.831 where: short stacking energy: -738.695 Base-Backbone interact. energy: -3.908 local terms energy: -765.514288 where: bonds (distance) C4'-P energy: -137.056 bonds (distance) P-C4' energy: -134.792 flat angles C4'-P-C4' energy: -172.498 flat angles P-C4'-P energy: -109.610 tors. eta vs tors. theta energy: -211.559 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: 308 Temperature: 1.100000 Total energy: -2504.040914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.040914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.040914 (E_RNA) where: Base-Base interactions energy: -1752.193 where: short stacking energy: -743.300 Base-Backbone interact. energy: -2.337 local terms energy: -749.511237 where: bonds (distance) C4'-P energy: -129.142 bonds (distance) P-C4' energy: -151.304 flat angles C4'-P-C4' energy: -160.527 flat angles P-C4'-P energy: -106.274 tors. eta vs tors. theta energy: -202.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -2261.763942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.763942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.763942 (E_RNA) where: Base-Base interactions energy: -1549.630 where: short stacking energy: -679.768 Base-Backbone interact. energy: 8.114 local terms energy: -720.247841 where: bonds (distance) C4'-P energy: -155.391 bonds (distance) P-C4' energy: -137.073 flat angles C4'-P-C4' energy: -154.169 flat angles P-C4'-P energy: -100.191 tors. eta vs tors. theta energy: -173.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -2092.488952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.488952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.488952 (E_RNA) where: Base-Base interactions energy: -1420.007 where: short stacking energy: -622.770 Base-Backbone interact. energy: -0.655 local terms energy: -671.826815 where: bonds (distance) C4'-P energy: -118.647 bonds (distance) P-C4' energy: -133.721 flat angles C4'-P-C4' energy: -162.726 flat angles P-C4'-P energy: -88.351 tors. eta vs tors. theta energy: -168.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1575.307865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.307865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.307865 (E_RNA) where: Base-Base interactions energy: -966.589 where: short stacking energy: -440.545 Base-Backbone interact. energy: -0.332 local terms energy: -608.387131 where: bonds (distance) C4'-P energy: -121.497 bonds (distance) P-C4' energy: -153.373 flat angles C4'-P-C4' energy: -150.390 flat angles P-C4'-P energy: -89.222 tors. eta vs tors. theta energy: -93.905 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: 1 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -1352.004586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.004586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.004586 (E_RNA) where: Base-Base interactions energy: -795.092 where: short stacking energy: -384.040 Base-Backbone interact. energy: -3.485 local terms energy: -553.427512 where: bonds (distance) C4'-P energy: -136.293 bonds (distance) P-C4' energy: -140.311 flat angles C4'-P-C4' energy: -146.525 flat angles P-C4'-P energy: -84.751 tors. eta vs tors. theta energy: -45.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -943.688153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.688153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.688153 (E_RNA) where: Base-Base interactions energy: -524.723 where: short stacking energy: -279.208 Base-Backbone interact. energy: -0.882 local terms energy: -418.082984 where: bonds (distance) C4'-P energy: -81.330 bonds (distance) P-C4' energy: -147.079 flat angles C4'-P-C4' energy: -100.602 flat angles P-C4'-P energy: -74.420 tors. eta vs tors. theta energy: -14.653 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: 6 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -2942.665957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.665957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.665957 (E_RNA) where: Base-Base interactions energy: -2051.356 where: short stacking energy: -866.250 Base-Backbone interact. energy: -5.198 local terms energy: -886.111696 where: bonds (distance) C4'-P energy: -156.502 bonds (distance) P-C4' energy: -158.933 flat angles C4'-P-C4' energy: -189.430 flat angles P-C4'-P energy: -125.630 tors. eta vs tors. theta energy: -255.616 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: 2, replica: 7 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2870.494141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.494141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.494141 (E_RNA) where: Base-Base interactions energy: -2003.277 where: short stacking energy: -885.123 Base-Backbone interact. energy: -1.759 local terms energy: -865.458175 where: bonds (distance) C4'-P energy: -155.217 bonds (distance) P-C4' energy: -157.884 flat angles C4'-P-C4' energy: -181.287 flat angles P-C4'-P energy: -116.789 tors. eta vs tors. theta energy: -254.282 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: 3, replica: 10 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2707.163794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.163794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.163794 (E_RNA) where: Base-Base interactions energy: -1903.477 where: short stacking energy: -763.868 Base-Backbone interact. energy: -3.916 local terms energy: -799.771029 where: bonds (distance) C4'-P energy: -152.189 bonds (distance) P-C4' energy: -156.421 flat angles C4'-P-C4' energy: -180.461 flat angles P-C4'-P energy: -89.204 tors. eta vs tors. theta energy: -221.496 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: 4, replica: 4 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -2556.717692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.717692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.717692 (E_RNA) where: Base-Base interactions energy: -1753.960 where: short stacking energy: -735.790 Base-Backbone interact. energy: -0.215 local terms energy: -802.542955 where: bonds (distance) C4'-P energy: -171.011 bonds (distance) P-C4' energy: -153.137 flat angles C4'-P-C4' energy: -167.227 flat angles P-C4'-P energy: -112.437 tors. eta vs tors. theta energy: -198.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -2468.110348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.110348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.110348 (E_RNA) where: Base-Base interactions energy: -1703.351 where: short stacking energy: -700.717 Base-Backbone interact. energy: -1.599 local terms energy: -763.160683 where: bonds (distance) C4'-P energy: -126.450 bonds (distance) P-C4' energy: -149.393 flat angles C4'-P-C4' energy: -173.392 flat angles P-C4'-P energy: -119.614 tors. eta vs tors. theta energy: -194.311 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: 6, replica: 9 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -2330.895155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.895155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.895155 (E_RNA) where: Base-Base interactions energy: -1592.091 where: short stacking energy: -688.751 Base-Backbone interact. energy: -0.440 local terms energy: -738.363971 where: bonds (distance) C4'-P energy: -148.113 bonds (distance) P-C4' energy: -161.902 flat angles C4'-P-C4' energy: -166.398 flat angles P-C4'-P energy: -93.971 tors. eta vs tors. theta energy: -167.980 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: 7, replica: 8 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -2068.230456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.230456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.230456 (E_RNA) where: Base-Base interactions energy: -1381.318 where: short stacking energy: -599.813 Base-Backbone interact. energy: -2.522 local terms energy: -684.389717 where: bonds (distance) C4'-P energy: -140.346 bonds (distance) P-C4' energy: -145.289 flat angles C4'-P-C4' energy: -164.411 flat angles P-C4'-P energy: -85.175 tors. eta vs tors. theta energy: -149.168 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: 8, replica: 2 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1551.857442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.857442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.857442 (E_RNA) where: Base-Base interactions energy: -970.092 where: short stacking energy: -477.843 Base-Backbone interact. energy: 2.711 local terms energy: -584.476382 where: bonds (distance) C4'-P energy: -129.263 bonds (distance) P-C4' energy: -128.153 flat angles C4'-P-C4' energy: -145.211 flat angles P-C4'-P energy: -81.697 tors. eta vs tors. theta energy: -100.152 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: 1 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -1311.649105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.649105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.649105 (E_RNA) where: Base-Base interactions energy: -824.460 where: short stacking energy: -375.697 Base-Backbone interact. energy: -1.911 local terms energy: -485.278941 where: bonds (distance) C4'-P energy: -129.132 bonds (distance) P-C4' energy: -134.365 flat angles C4'-P-C4' energy: -127.290 flat angles P-C4'-P energy: -55.556 tors. eta vs tors. theta energy: -38.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -899.036264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.036264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.036264 (E_RNA) where: Base-Base interactions energy: -500.158 where: short stacking energy: -293.146 Base-Backbone interact. energy: 10.714 local terms energy: -409.592185 where: bonds (distance) C4'-P energy: -121.115 bonds (distance) P-C4' energy: -126.927 flat angles C4'-P-C4' energy: -100.793 flat angles P-C4'-P energy: -63.605 tors. eta vs tors. theta energy: 2.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -2921.596342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.596342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.596342 (E_RNA) where: Base-Base interactions energy: -2048.393 where: short stacking energy: -887.829 Base-Backbone interact. energy: -6.108 local terms energy: -867.095327 where: bonds (distance) C4'-P energy: -148.964 bonds (distance) P-C4' energy: -152.728 flat angles C4'-P-C4' energy: -191.601 flat angles P-C4'-P energy: -127.795 tors. eta vs tors. theta energy: -246.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -2831.868050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.868050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.868050 (E_RNA) where: Base-Base interactions energy: -1984.965 where: short stacking energy: -868.324 Base-Backbone interact. energy: -2.386 local terms energy: -844.517681 where: bonds (distance) C4'-P energy: -149.012 bonds (distance) P-C4' energy: -151.834 flat angles C4'-P-C4' energy: -175.917 flat angles P-C4'-P energy: -121.583 tors. eta vs tors. theta energy: -246.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -2756.872642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.872642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.872642 (E_RNA) where: Base-Base interactions energy: -1903.432 where: short stacking energy: -835.973 Base-Backbone interact. energy: -3.334 local terms energy: -850.107182 where: bonds (distance) C4'-P energy: -165.158 bonds (distance) P-C4' energy: -156.712 flat angles C4'-P-C4' energy: -179.584 flat angles P-C4'-P energy: -108.772 tors. eta vs tors. theta energy: -239.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -2579.820398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.820398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.820398 (E_RNA) where: Base-Base interactions energy: -1802.840 where: short stacking energy: -760.898 Base-Backbone interact. energy: -3.141 local terms energy: -773.839543 where: bonds (distance) C4'-P energy: -137.206 bonds (distance) P-C4' energy: -152.577 flat angles C4'-P-C4' energy: -172.313 flat angles P-C4'-P energy: -98.034 tors. eta vs tors. theta energy: -213.710 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: 5 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -2471.390238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.390238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.390238 (E_RNA) where: Base-Base interactions energy: -1739.683 where: short stacking energy: -742.586 Base-Backbone interact. energy: -1.978 local terms energy: -729.729523 where: bonds (distance) C4'-P energy: -132.673 bonds (distance) P-C4' energy: -132.706 flat angles C4'-P-C4' energy: -149.654 flat angles P-C4'-P energy: -113.055 tors. eta vs tors. theta energy: -201.642 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: 310 Temperature: 1.150000 Total energy: -2236.821807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.821807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.821807 (E_RNA) where: Base-Base interactions energy: -1548.937 where: short stacking energy: -663.999 Base-Backbone interact. energy: -3.289 local terms energy: -684.596077 where: bonds (distance) C4'-P energy: -120.455 bonds (distance) P-C4' energy: -131.758 flat angles C4'-P-C4' energy: -167.504 flat angles P-C4'-P energy: -107.064 tors. eta vs tors. theta energy: -157.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -2051.211325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.211325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.211325 (E_RNA) where: Base-Base interactions energy: -1399.998 where: short stacking energy: -639.663 Base-Backbone interact. energy: -0.802 local terms energy: -650.411232 where: bonds (distance) C4'-P energy: -131.619 bonds (distance) P-C4' energy: -123.677 flat angles C4'-P-C4' energy: -136.579 flat angles P-C4'-P energy: -84.678 tors. eta vs tors. theta energy: -173.858 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: 2 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1549.190625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.190625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.190625 (E_RNA) where: Base-Base interactions energy: -1008.776 where: short stacking energy: -462.965 Base-Backbone interact. energy: 2.921 local terms energy: -543.336124 where: bonds (distance) C4'-P energy: -121.673 bonds (distance) P-C4' energy: -148.817 flat angles C4'-P-C4' energy: -134.987 flat angles P-C4'-P energy: -63.282 tors. eta vs tors. theta energy: -74.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -1288.226482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.226482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.226482 (E_RNA) where: Base-Base interactions energy: -775.425 where: short stacking energy: -371.859 Base-Backbone interact. energy: 0.530 local terms energy: -513.331019 where: bonds (distance) C4'-P energy: -125.886 bonds (distance) P-C4' energy: -119.863 flat angles C4'-P-C4' energy: -140.190 flat angles P-C4'-P energy: -88.346 tors. eta vs tors. theta energy: -39.046 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: 3 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -909.657613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.657613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.657613 (E_RNA) where: Base-Base interactions energy: -495.169 where: short stacking energy: -240.691 Base-Backbone interact. energy: -2.449 local terms energy: -412.040385 where: bonds (distance) C4'-P energy: -127.739 bonds (distance) P-C4' energy: -104.881 flat angles C4'-P-C4' energy: -116.461 flat angles P-C4'-P energy: -67.985 tors. eta vs tors. theta energy: 5.026 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: 6 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -2910.507186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.507186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.507186 (E_RNA) where: Base-Base interactions energy: -2013.090 where: short stacking energy: -882.340 Base-Backbone interact. energy: -1.802 local terms energy: -895.615466 where: bonds (distance) C4'-P energy: -176.629 bonds (distance) P-C4' energy: -157.044 flat angles C4'-P-C4' energy: -182.276 flat angles P-C4'-P energy: -128.554 tors. eta vs tors. theta energy: -251.113 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: 7 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -2843.520729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.520729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.520729 (E_RNA) where: Base-Base interactions energy: -1962.087 where: short stacking energy: -857.545 Base-Backbone interact. energy: -4.184 local terms energy: -877.249689 where: bonds (distance) C4'-P energy: -155.953 bonds (distance) P-C4' energy: -153.394 flat angles C4'-P-C4' energy: -177.842 flat angles P-C4'-P energy: -134.372 tors. eta vs tors. theta energy: -255.688 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: 10 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -2758.420268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.420268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.420268 (E_RNA) where: Base-Base interactions energy: -1922.479 where: short stacking energy: -824.151 Base-Backbone interact. energy: 2.805 local terms energy: -838.746137 where: bonds (distance) C4'-P energy: -164.152 bonds (distance) P-C4' energy: -159.125 flat angles C4'-P-C4' energy: -181.406 flat angles P-C4'-P energy: -110.007 tors. eta vs tors. theta energy: -224.055 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: 4 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -2648.235428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.235428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.235428 (E_RNA) where: Base-Base interactions energy: -1869.318 where: short stacking energy: -791.734 Base-Backbone interact. energy: -1.339 local terms energy: -777.578784 where: bonds (distance) C4'-P energy: -151.433 bonds (distance) P-C4' energy: -138.264 flat angles C4'-P-C4' energy: -163.785 flat angles P-C4'-P energy: -97.288 tors. eta vs tors. theta energy: -226.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -2412.825836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.825836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.825836 (E_RNA) where: Base-Base interactions energy: -1658.046 where: short stacking energy: -685.993 Base-Backbone interact. energy: -0.543 local terms energy: -754.237697 where: bonds (distance) C4'-P energy: -132.656 bonds (distance) P-C4' energy: -140.063 flat angles C4'-P-C4' energy: -169.231 flat angles P-C4'-P energy: -113.606 tors. eta vs tors. theta energy: -198.682 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: 9 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -2348.954226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.954226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.954226 (E_RNA) where: Base-Base interactions energy: -1615.707 where: short stacking energy: -692.490 Base-Backbone interact. energy: -2.183 local terms energy: -731.064451 where: bonds (distance) C4'-P energy: -140.626 bonds (distance) P-C4' energy: -148.961 flat angles C4'-P-C4' energy: -154.121 flat angles P-C4'-P energy: -111.010 tors. eta vs tors. theta energy: -176.347 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: 7, replica: 8 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -2046.213841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.213841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.213841 (E_RNA) where: Base-Base interactions energy: -1392.659 where: short stacking energy: -605.968 Base-Backbone interact. energy: -2.376 local terms energy: -651.179362 where: bonds (distance) C4'-P energy: -128.376 bonds (distance) P-C4' energy: -120.351 flat angles C4'-P-C4' energy: -162.785 flat angles P-C4'-P energy: -78.327 tors. eta vs tors. theta energy: -161.341 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: 2 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1570.300705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.300705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.300705 (E_RNA) where: Base-Base interactions energy: -965.551 where: short stacking energy: -445.801 Base-Backbone interact. energy: -2.132 local terms energy: -602.617948 where: bonds (distance) C4'-P energy: -144.945 bonds (distance) P-C4' energy: -147.835 flat angles C4'-P-C4' energy: -146.724 flat angles P-C4'-P energy: -84.458 tors. eta vs tors. theta energy: -78.656 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: 9, replica: 1 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -1324.903468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.903468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.903468 (E_RNA) where: Base-Base interactions energy: -834.126 where: short stacking energy: -390.659 Base-Backbone interact. energy: -0.046 local terms energy: -490.731505 where: bonds (distance) C4'-P energy: -95.885 bonds (distance) P-C4' energy: -144.441 flat angles C4'-P-C4' energy: -123.334 flat angles P-C4'-P energy: -69.679 tors. eta vs tors. theta energy: -57.393 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: 3 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -928.901382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.901382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.901382 (E_RNA) where: Base-Base interactions energy: -497.546 where: short stacking energy: -280.192 Base-Backbone interact. energy: 0.570 local terms energy: -431.925371 where: bonds (distance) C4'-P energy: -125.750 bonds (distance) P-C4' energy: -116.067 flat angles C4'-P-C4' energy: -125.484 flat angles P-C4'-P energy: -53.275 tors. eta vs tors. theta energy: -11.349 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: 6 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -2962.647012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.647012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.647012 (E_RNA) where: Base-Base interactions energy: -2058.171 where: short stacking energy: -889.468 Base-Backbone interact. energy: -6.392 local terms energy: -898.084094 where: bonds (distance) C4'-P energy: -160.306 bonds (distance) P-C4' energy: -161.327 flat angles C4'-P-C4' energy: -193.611 flat angles P-C4'-P energy: -130.486 tors. eta vs tors. theta energy: -252.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -2850.466801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.466801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.466801 (E_RNA) where: Base-Base interactions energy: -1986.189 where: short stacking energy: -859.757 Base-Backbone interact. energy: 1.969 local terms energy: -866.246164 where: bonds (distance) C4'-P energy: -158.765 bonds (distance) P-C4' energy: -161.973 flat angles C4'-P-C4' energy: -181.652 flat angles P-C4'-P energy: -116.878 tors. eta vs tors. theta energy: -246.979 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: 3, replica: 10 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -2768.736808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.736808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.736808 (E_RNA) where: Base-Base interactions energy: -1937.670 where: short stacking energy: -811.700 Base-Backbone interact. energy: 1.531 local terms energy: -832.597581 where: bonds (distance) C4'-P energy: -137.572 bonds (distance) P-C4' energy: -157.496 flat angles C4'-P-C4' energy: -183.733 flat angles P-C4'-P energy: -119.669 tors. eta vs tors. theta energy: -234.128 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: 4, replica: 4 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -2591.308599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.308599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.308599 (E_RNA) where: Base-Base interactions energy: -1765.931 where: short stacking energy: -738.442 Base-Backbone interact. energy: -4.274 local terms energy: -821.104061 where: bonds (distance) C4'-P energy: -159.403 bonds (distance) P-C4' energy: -187.042 flat angles C4'-P-C4' energy: -165.248 flat angles P-C4'-P energy: -110.495 tors. eta vs tors. theta energy: -198.915 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: 5 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -2428.308070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.308070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.308070 (E_RNA) where: Base-Base interactions energy: -1680.054 where: short stacking energy: -734.920 Base-Backbone interact. energy: -4.310 local terms energy: -743.944093 where: bonds (distance) C4'-P energy: -97.153 bonds (distance) P-C4' energy: -151.384 flat angles C4'-P-C4' energy: -173.125 flat angles P-C4'-P energy: -109.580 tors. eta vs tors. theta energy: -212.702 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: 6, replica: 9 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -2314.696864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.696864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.696864 (E_RNA) where: Base-Base interactions energy: -1589.975 where: short stacking energy: -679.914 Base-Backbone interact. energy: 2.779 local terms energy: -727.500636 where: bonds (distance) C4'-P energy: -152.899 bonds (distance) P-C4' energy: -132.793 flat angles C4'-P-C4' energy: -169.388 flat angles P-C4'-P energy: -99.744 tors. eta vs tors. theta energy: -172.677 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: 8 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -2016.626681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.626681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.626681 (E_RNA) where: Base-Base interactions energy: -1325.403 where: short stacking energy: -587.599 Base-Backbone interact. energy: 0.471 local terms energy: -691.695033 where: bonds (distance) C4'-P energy: -144.538 bonds (distance) P-C4' energy: -133.273 flat angles C4'-P-C4' energy: -160.967 flat angles P-C4'-P energy: -105.506 tors. eta vs tors. theta energy: -147.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1586.919622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.919622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.919622 (E_RNA) where: Base-Base interactions energy: -1028.418 where: short stacking energy: -467.050 Base-Backbone interact. energy: 3.481 local terms energy: -561.982996 where: bonds (distance) C4'-P energy: -129.337 bonds (distance) P-C4' energy: -132.438 flat angles C4'-P-C4' energy: -144.306 flat angles P-C4'-P energy: -68.129 tors. eta vs tors. theta energy: -87.772 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: 9, replica: 1 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -1392.589308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.589308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.589308 (E_RNA) where: Base-Base interactions energy: -855.724 where: short stacking energy: -410.753 Base-Backbone interact. energy: 6.084 local terms energy: -542.948524 where: bonds (distance) C4'-P energy: -122.046 bonds (distance) P-C4' energy: -147.146 flat angles C4'-P-C4' energy: -125.705 flat angles P-C4'-P energy: -78.190 tors. eta vs tors. theta energy: -69.863 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: 3 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -950.798740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.798740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.798740 (E_RNA) where: Base-Base interactions energy: -516.072 where: short stacking energy: -265.022 Base-Backbone interact. energy: -0.677 local terms energy: -434.049840 where: bonds (distance) C4'-P energy: -112.587 bonds (distance) P-C4' energy: -146.618 flat angles C4'-P-C4' energy: -111.243 flat angles P-C4'-P energy: -64.185 tors. eta vs tors. theta energy: 0.584 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: 1, replica: 6 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -2947.521424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.521424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.521424 (E_RNA) where: Base-Base interactions energy: -2035.658 where: short stacking energy: -863.897 Base-Backbone interact. energy: -3.621 local terms energy: -908.241683 where: bonds (distance) C4'-P energy: -169.563 bonds (distance) P-C4' energy: -167.953 flat angles C4'-P-C4' energy: -204.897 flat angles P-C4'-P energy: -117.942 tors. eta vs tors. theta energy: -247.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -2837.684672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.684672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.684672 (E_RNA) where: Base-Base interactions energy: -1951.072 where: short stacking energy: -855.105 Base-Backbone interact. energy: -2.416 local terms energy: -884.196146 where: bonds (distance) C4'-P energy: -161.145 bonds (distance) P-C4' energy: -162.126 flat angles C4'-P-C4' energy: -192.017 flat angles P-C4'-P energy: -121.541 tors. eta vs tors. theta energy: -247.368 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: 10 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -2754.391176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.391176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.391176 (E_RNA) where: Base-Base interactions energy: -1923.790 where: short stacking energy: -808.521 Base-Backbone interact. energy: 4.726 local terms energy: -835.327171 where: bonds (distance) C4'-P energy: -159.193 bonds (distance) P-C4' energy: -159.495 flat angles C4'-P-C4' energy: -186.818 flat angles P-C4'-P energy: -107.196 tors. eta vs tors. theta energy: -222.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -2543.394029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.394029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.394029 (E_RNA) where: Base-Base interactions energy: -1737.358 where: short stacking energy: -720.556 Base-Backbone interact. energy: -5.181 local terms energy: -800.855597 where: bonds (distance) C4'-P energy: -163.274 bonds (distance) P-C4' energy: -150.118 flat angles C4'-P-C4' energy: -168.491 flat angles P-C4'-P energy: -131.478 tors. eta vs tors. theta energy: -187.494 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: 5 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -2460.435105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.435105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.435105 (E_RNA) where: Base-Base interactions energy: -1691.550 where: short stacking energy: -734.259 Base-Backbone interact. energy: -3.019 local terms energy: -765.865522 where: bonds (distance) C4'-P energy: -152.556 bonds (distance) P-C4' energy: -151.042 flat angles C4'-P-C4' energy: -164.963 flat angles P-C4'-P energy: -92.846 tors. eta vs tors. theta energy: -204.459 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: 6, replica: 9 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -2372.901607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.901607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.901607 (E_RNA) where: Base-Base interactions energy: -1640.117 where: short stacking energy: -730.731 Base-Backbone interact. energy: -3.190 local terms energy: -729.595060 where: bonds (distance) C4'-P energy: -144.474 bonds (distance) P-C4' energy: -123.819 flat angles C4'-P-C4' energy: -184.645 flat angles P-C4'-P energy: -101.554 tors. eta vs tors. theta energy: -175.104 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: 7, replica: 8 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -2065.763581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.763581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.763581 (E_RNA) where: Base-Base interactions energy: -1387.778 where: short stacking energy: -599.424 Base-Backbone interact. energy: -4.000 local terms energy: -673.985751 where: bonds (distance) C4'-P energy: -135.962 bonds (distance) P-C4' energy: -147.039 flat angles C4'-P-C4' energy: -159.304 flat angles P-C4'-P energy: -83.896 tors. eta vs tors. theta energy: -147.785 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: 8, replica: 2 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1592.504921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.504921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.504921 (E_RNA) where: Base-Base interactions energy: -1011.566 where: short stacking energy: -467.699 Base-Backbone interact. energy: 0.218 local terms energy: -581.156803 where: bonds (distance) C4'-P energy: -124.653 bonds (distance) P-C4' energy: -140.423 flat angles C4'-P-C4' energy: -143.401 flat angles P-C4'-P energy: -76.020 tors. eta vs tors. theta energy: -96.659 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: 1 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -1411.695953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.695953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.695953 (E_RNA) where: Base-Base interactions energy: -912.713 where: short stacking energy: -440.260 Base-Backbone interact. energy: -2.424 local terms energy: -496.558481 where: bonds (distance) C4'-P energy: -123.891 bonds (distance) P-C4' energy: -133.956 flat angles C4'-P-C4' energy: -106.367 flat angles P-C4'-P energy: -59.043 tors. eta vs tors. theta energy: -73.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -989.753251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.753251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.753251 (E_RNA) where: Base-Base interactions energy: -534.699 where: short stacking energy: -273.851 Base-Backbone interact. energy: 1.096 local terms energy: -456.150447 where: bonds (distance) C4'-P energy: -119.159 bonds (distance) P-C4' energy: -136.271 flat angles C4'-P-C4' energy: -141.088 flat angles P-C4'-P energy: -62.003 tors. eta vs tors. theta energy: 2.371 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: 7 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -2903.475044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.475044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.475044 (E_RNA) where: Base-Base interactions energy: -2010.914 where: short stacking energy: -885.601 Base-Backbone interact. energy: -2.213 local terms energy: -890.348657 where: bonds (distance) C4'-P energy: -158.904 bonds (distance) P-C4' energy: -176.532 flat angles C4'-P-C4' energy: -198.505 flat angles P-C4'-P energy: -111.991 tors. eta vs tors. theta energy: -244.416 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: 2, replica: 6 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -2854.660924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.660924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.660924 (E_RNA) where: Base-Base interactions energy: -1987.000 where: short stacking energy: -854.068 Base-Backbone interact. energy: -2.929 local terms energy: -864.731778 where: bonds (distance) C4'-P energy: -154.171 bonds (distance) P-C4' energy: -161.292 flat angles C4'-P-C4' energy: -193.606 flat angles P-C4'-P energy: -117.338 tors. eta vs tors. theta energy: -238.324 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: 3, replica: 10 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2724.737824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.737824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.737824 (E_RNA) where: Base-Base interactions energy: -1898.563 where: short stacking energy: -795.653 Base-Backbone interact. energy: -4.584 local terms energy: -821.590344 where: bonds (distance) C4'-P energy: -163.994 bonds (distance) P-C4' energy: -148.900 flat angles C4'-P-C4' energy: -173.088 flat angles P-C4'-P energy: -107.213 tors. eta vs tors. theta energy: -228.394 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: 4, replica: 4 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -2502.795218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.795218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.795218 (E_RNA) where: Base-Base interactions energy: -1717.731 where: short stacking energy: -742.283 Base-Backbone interact. energy: -1.033 local terms energy: -784.031852 where: bonds (distance) C4'-P energy: -129.262 bonds (distance) P-C4' energy: -158.972 flat angles C4'-P-C4' energy: -182.452 flat angles P-C4'-P energy: -112.068 tors. eta vs tors. theta energy: -201.277 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: 5, replica: 5 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -2478.668450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.668450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.668450 (E_RNA) where: Base-Base interactions energy: -1709.523 where: short stacking energy: -725.329 Base-Backbone interact. energy: 4.728 local terms energy: -773.873425 where: bonds (distance) C4'-P energy: -148.987 bonds (distance) P-C4' energy: -150.060 flat angles C4'-P-C4' energy: -167.180 flat angles P-C4'-P energy: -110.566 tors. eta vs tors. theta energy: -197.080 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: 9 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -2399.716011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.716011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.716011 (E_RNA) where: Base-Base interactions energy: -1647.435 where: short stacking energy: -693.463 Base-Backbone interact. energy: 3.110 local terms energy: -755.390696 where: bonds (distance) C4'-P energy: -148.291 bonds (distance) P-C4' energy: -145.417 flat angles C4'-P-C4' energy: -179.594 flat angles P-C4'-P energy: -98.639 tors. eta vs tors. theta energy: -183.449 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: 7, replica: 8 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -2093.859702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.859702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.859702 (E_RNA) where: Base-Base interactions energy: -1421.045 where: short stacking energy: -643.407 Base-Backbone interact. energy: -0.139 local terms energy: -672.674996 where: bonds (distance) C4'-P energy: -113.194 bonds (distance) P-C4' energy: -130.309 flat angles C4'-P-C4' energy: -156.540 flat angles P-C4'-P energy: -99.781 tors. eta vs tors. theta energy: -172.851 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: 8, replica: 2 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1673.449128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.449128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.449128 (E_RNA) where: Base-Base interactions energy: -1101.631 where: short stacking energy: -513.209 Base-Backbone interact. energy: 0.813 local terms energy: -572.631145 where: bonds (distance) C4'-P energy: -130.808 bonds (distance) P-C4' energy: -125.891 flat angles C4'-P-C4' energy: -131.384 flat angles P-C4'-P energy: -93.378 tors. eta vs tors. theta energy: -91.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -1305.588745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.588745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.588745 (E_RNA) where: Base-Base interactions energy: -815.245 where: short stacking energy: -401.775 Base-Backbone interact. energy: 3.780 local terms energy: -494.123338 where: bonds (distance) C4'-P energy: -134.371 bonds (distance) P-C4' energy: -105.196 flat angles C4'-P-C4' energy: -125.932 flat angles P-C4'-P energy: -73.701 tors. eta vs tors. theta energy: -54.923 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: 3 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -1066.008570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.008570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.008570 (E_RNA) where: Base-Base interactions energy: -551.406 where: short stacking energy: -290.581 Base-Backbone interact. energy: -3.234 local terms energy: -511.369122 where: bonds (distance) C4'-P energy: -149.878 bonds (distance) P-C4' energy: -139.417 flat angles C4'-P-C4' energy: -119.741 flat angles P-C4'-P energy: -64.501 tors. eta vs tors. theta energy: -37.832 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: 7 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -2905.542929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.542929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.542929 (E_RNA) where: Base-Base interactions energy: -2013.892 where: short stacking energy: -872.765 Base-Backbone interact. energy: -2.711 local terms energy: -888.939591 where: bonds (distance) C4'-P energy: -158.271 bonds (distance) P-C4' energy: -161.980 flat angles C4'-P-C4' energy: -190.736 flat angles P-C4'-P energy: -127.953 tors. eta vs tors. theta energy: -250.001 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: 6 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -2862.488378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.488378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.488378 (E_RNA) where: Base-Base interactions energy: -1971.557 where: short stacking energy: -836.063 Base-Backbone interact. energy: 1.504 local terms energy: -892.435904 where: bonds (distance) C4'-P energy: -164.437 bonds (distance) P-C4' energy: -168.563 flat angles C4'-P-C4' energy: -190.559 flat angles P-C4'-P energy: -119.773 tors. eta vs tors. theta energy: -249.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2725.465156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.465156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.465156 (E_RNA) where: Base-Base interactions energy: -1915.783 where: short stacking energy: -823.157 Base-Backbone interact. energy: -5.013 local terms energy: -804.669007 where: bonds (distance) C4'-P energy: -146.512 bonds (distance) P-C4' energy: -156.434 flat angles C4'-P-C4' energy: -169.499 flat angles P-C4'-P energy: -106.542 tors. eta vs tors. theta energy: -225.683 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: 4, replica: 4 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -2529.790004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.790004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.790004 (E_RNA) where: Base-Base interactions energy: -1764.278 where: short stacking energy: -759.036 Base-Backbone interact. energy: -1.962 local terms energy: -763.549545 where: bonds (distance) C4'-P energy: -150.209 bonds (distance) P-C4' energy: -144.503 flat angles C4'-P-C4' energy: -163.878 flat angles P-C4'-P energy: -111.876 tors. eta vs tors. theta energy: -193.083 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: 5 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -2456.894174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.894174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.894174 (E_RNA) where: Base-Base interactions energy: -1702.652 where: short stacking energy: -690.973 Base-Backbone interact. energy: 0.162 local terms energy: -754.404681 where: bonds (distance) C4'-P energy: -137.006 bonds (distance) P-C4' energy: -153.272 flat angles C4'-P-C4' energy: -145.993 flat angles P-C4'-P energy: -110.358 tors. eta vs tors. theta energy: -207.776 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: 6, replica: 9 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -2319.373030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.373030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.373030 (E_RNA) where: Base-Base interactions energy: -1600.141 where: short stacking energy: -723.683 Base-Backbone interact. energy: -2.856 local terms energy: -716.375712 where: bonds (distance) C4'-P energy: -127.446 bonds (distance) P-C4' energy: -142.101 flat angles C4'-P-C4' energy: -159.258 flat angles P-C4'-P energy: -107.877 tors. eta vs tors. theta energy: -179.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -2107.217299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.217299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.217299 (E_RNA) where: Base-Base interactions energy: -1422.986 where: short stacking energy: -615.171 Base-Backbone interact. energy: 1.180 local terms energy: -685.411777 where: bonds (distance) C4'-P energy: -125.322 bonds (distance) P-C4' energy: -148.521 flat angles C4'-P-C4' energy: -163.207 flat angles P-C4'-P energy: -91.754 tors. eta vs tors. theta energy: -156.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1708.209911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.209911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.209911 (E_RNA) where: Base-Base interactions energy: -1114.451 where: short stacking energy: -485.758 Base-Backbone interact. energy: -3.796 local terms energy: -589.963240 where: bonds (distance) C4'-P energy: -146.629 bonds (distance) P-C4' energy: -126.784 flat angles C4'-P-C4' energy: -129.728 flat angles P-C4'-P energy: -79.695 tors. eta vs tors. theta energy: -107.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -1372.431782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.431782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.431782 (E_RNA) where: Base-Base interactions energy: -871.522 where: short stacking energy: -431.518 Base-Backbone interact. energy: -2.128 local terms energy: -498.782098 where: bonds (distance) C4'-P energy: -112.312 bonds (distance) P-C4' energy: -125.514 flat angles C4'-P-C4' energy: -129.165 flat angles P-C4'-P energy: -72.081 tors. eta vs tors. theta energy: -59.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -1053.456013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.456013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.456013 (E_RNA) where: Base-Base interactions energy: -616.860 where: short stacking energy: -332.873 Base-Backbone interact. energy: 0.529 local terms energy: -437.124582 where: bonds (distance) C4'-P energy: -95.559 bonds (distance) P-C4' energy: -135.016 flat angles C4'-P-C4' energy: -129.251 flat angles P-C4'-P energy: -63.529 tors. eta vs tors. theta energy: -13.769 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: 1, replica: 7 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -2891.898277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.898277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.898277 (E_RNA) where: Base-Base interactions energy: -1994.666 where: short stacking energy: -874.554 Base-Backbone interact. energy: -1.518 local terms energy: -895.713988 where: bonds (distance) C4'-P energy: -151.018 bonds (distance) P-C4' energy: -173.668 flat angles C4'-P-C4' energy: -176.002 flat angles P-C4'-P energy: -137.151 tors. eta vs tors. theta energy: -257.875 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: 6 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -2847.171735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.171735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.171735 (E_RNA) where: Base-Base interactions energy: -2013.175 where: short stacking energy: -840.735 Base-Backbone interact. energy: -1.377 local terms energy: -832.620569 where: bonds (distance) C4'-P energy: -133.834 bonds (distance) P-C4' energy: -141.890 flat angles C4'-P-C4' energy: -181.820 flat angles P-C4'-P energy: -131.085 tors. eta vs tors. theta energy: -243.991 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: 10 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2762.896071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.896071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.896071 (E_RNA) where: Base-Base interactions energy: -1913.455 where: short stacking energy: -818.337 Base-Backbone interact. energy: 2.040 local terms energy: -851.480308 where: bonds (distance) C4'-P energy: -159.451 bonds (distance) P-C4' energy: -166.631 flat angles C4'-P-C4' energy: -192.996 flat angles P-C4'-P energy: -105.337 tors. eta vs tors. theta energy: -227.065 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: 4, replica: 4 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -2573.937511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.937511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.937511 (E_RNA) where: Base-Base interactions energy: -1815.816 where: short stacking energy: -760.312 Base-Backbone interact. energy: 0.751 local terms energy: -758.873367 where: bonds (distance) C4'-P energy: -143.756 bonds (distance) P-C4' energy: -130.149 flat angles C4'-P-C4' energy: -174.420 flat angles P-C4'-P energy: -98.505 tors. eta vs tors. theta energy: -212.044 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: 316 Temperature: 1.100000 Total energy: -2476.966341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.966341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.966341 (E_RNA) where: Base-Base interactions energy: -1697.725 where: short stacking energy: -723.675 Base-Backbone interact. energy: -2.003 local terms energy: -777.238438 where: bonds (distance) C4'-P energy: -158.407 bonds (distance) P-C4' energy: -131.554 flat angles C4'-P-C4' energy: -170.174 flat angles P-C4'-P energy: -117.151 tors. eta vs tors. theta energy: -199.953 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: 9 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -2390.218375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.218375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.218375 (E_RNA) where: Base-Base interactions energy: -1662.237 where: short stacking energy: -731.536 Base-Backbone interact. energy: -4.136 local terms energy: -723.845380 where: bonds (distance) C4'-P energy: -123.973 bonds (distance) P-C4' energy: -156.923 flat angles C4'-P-C4' energy: -173.001 flat angles P-C4'-P energy: -87.169 tors. eta vs tors. theta energy: -182.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -2107.210675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.210675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.210675 (E_RNA) where: Base-Base interactions energy: -1436.770 where: short stacking energy: -628.074 Base-Backbone interact. energy: 1.475 local terms energy: -671.915638 where: bonds (distance) C4'-P energy: -129.399 bonds (distance) P-C4' energy: -146.677 flat angles C4'-P-C4' energy: -147.484 flat angles P-C4'-P energy: -89.393 tors. eta vs tors. theta energy: -158.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1728.633780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.633780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.633780 (E_RNA) where: Base-Base interactions energy: -1128.232 where: short stacking energy: -515.676 Base-Backbone interact. energy: -4.845 local terms energy: -595.556470 where: bonds (distance) C4'-P energy: -123.827 bonds (distance) P-C4' energy: -137.814 flat angles C4'-P-C4' energy: -139.055 flat angles P-C4'-P energy: -87.819 tors. eta vs tors. theta energy: -107.042 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: 1 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -1376.389846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.389846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.389846 (E_RNA) where: Base-Base interactions energy: -872.746 where: short stacking energy: -434.191 Base-Backbone interact. energy: 1.121 local terms energy: -504.764583 where: bonds (distance) C4'-P energy: -114.635 bonds (distance) P-C4' energy: -125.961 flat angles C4'-P-C4' energy: -139.329 flat angles P-C4'-P energy: -68.801 tors. eta vs tors. theta energy: -56.038 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: 10, replica: 3 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -959.330118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.330118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.330118 (E_RNA) where: Base-Base interactions energy: -525.576 where: short stacking energy: -285.350 Base-Backbone interact. energy: 2.000 local terms energy: -435.755015 where: bonds (distance) C4'-P energy: -125.317 bonds (distance) P-C4' energy: -141.867 flat angles C4'-P-C4' energy: -117.959 flat angles P-C4'-P energy: -58.276 tors. eta vs tors. theta energy: 7.664 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: 7 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -2895.667323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.667323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.667323 (E_RNA) where: Base-Base interactions energy: -1989.125 where: short stacking energy: -886.520 Base-Backbone interact. energy: 3.373 local terms energy: -909.915267 where: bonds (distance) C4'-P energy: -157.741 bonds (distance) P-C4' energy: -172.660 flat angles C4'-P-C4' energy: -194.761 flat angles P-C4'-P energy: -130.276 tors. eta vs tors. theta energy: -254.477 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: 6 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -2846.960227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.960227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.960227 (E_RNA) where: Base-Base interactions energy: -1970.943 where: short stacking energy: -821.946 Base-Backbone interact. energy: -3.031 local terms energy: -872.986527 where: bonds (distance) C4'-P energy: -158.379 bonds (distance) P-C4' energy: -165.188 flat angles C4'-P-C4' energy: -187.914 flat angles P-C4'-P energy: -124.263 tors. eta vs tors. theta energy: -237.243 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: 10 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -2740.686623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.686623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.686623 (E_RNA) where: Base-Base interactions energy: -1942.534 where: short stacking energy: -819.240 Base-Backbone interact. energy: -5.598 local terms energy: -792.554009 where: bonds (distance) C4'-P energy: -137.106 bonds (distance) P-C4' energy: -174.956 flat angles C4'-P-C4' energy: -172.304 flat angles P-C4'-P energy: -89.054 tors. eta vs tors. theta energy: -219.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -2635.234139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.234139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.234139 (E_RNA) where: Base-Base interactions energy: -1847.042 where: short stacking energy: -790.133 Base-Backbone interact. energy: -2.034 local terms energy: -786.158644 where: bonds (distance) C4'-P energy: -133.029 bonds (distance) P-C4' energy: -146.782 flat angles C4'-P-C4' energy: -177.823 flat angles P-C4'-P energy: -123.122 tors. eta vs tors. theta energy: -205.403 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: 5 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -2461.545284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.545284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.545284 (E_RNA) where: Base-Base interactions energy: -1722.253 where: short stacking energy: -747.512 Base-Backbone interact. energy: -4.644 local terms energy: -734.648231 where: bonds (distance) C4'-P energy: -139.725 bonds (distance) P-C4' energy: -127.030 flat angles C4'-P-C4' energy: -165.518 flat angles P-C4'-P energy: -92.600 tors. eta vs tors. theta energy: -209.775 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: 6, replica: 9 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -2390.888141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.888141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.888141 (E_RNA) where: Base-Base interactions energy: -1665.273 where: short stacking energy: -713.925 Base-Backbone interact. energy: -2.549 local terms energy: -723.066155 where: bonds (distance) C4'-P energy: -137.110 bonds (distance) P-C4' energy: -123.501 flat angles C4'-P-C4' energy: -177.844 flat angles P-C4'-P energy: -108.270 tors. eta vs tors. theta energy: -176.341 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: 7, replica: 8 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -2113.324936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.324936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.324936 (E_RNA) where: Base-Base interactions energy: -1447.721 where: short stacking energy: -630.172 Base-Backbone interact. energy: -3.174 local terms energy: -662.429984 where: bonds (distance) C4'-P energy: -125.258 bonds (distance) P-C4' energy: -140.964 flat angles C4'-P-C4' energy: -142.015 flat angles P-C4'-P energy: -91.766 tors. eta vs tors. theta energy: -162.427 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: 2 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1683.216162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.216162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.216162 (E_RNA) where: Base-Base interactions energy: -1075.890 where: short stacking energy: -472.745 Base-Backbone interact. energy: -7.713 local terms energy: -599.612954 where: bonds (distance) C4'-P energy: -136.003 bonds (distance) P-C4' energy: -147.139 flat angles C4'-P-C4' energy: -141.244 flat angles P-C4'-P energy: -85.440 tors. eta vs tors. theta energy: -89.788 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: 9, replica: 1 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -1306.456816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.456816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.456816 (E_RNA) where: Base-Base interactions energy: -813.641 where: short stacking energy: -386.363 Base-Backbone interact. energy: 0.768 local terms energy: -493.583685 where: bonds (distance) C4'-P energy: -112.015 bonds (distance) P-C4' energy: -135.954 flat angles C4'-P-C4' energy: -121.464 flat angles P-C4'-P energy: -72.085 tors. eta vs tors. theta energy: -52.065 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: 10, replica: 3 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -974.670485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.670485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.670485 (E_RNA) where: Base-Base interactions energy: -517.227 where: short stacking energy: -268.617 Base-Backbone interact. energy: 3.171 local terms energy: -460.614303 where: bonds (distance) C4'-P energy: -139.513 bonds (distance) P-C4' energy: -148.766 flat angles C4'-P-C4' energy: -99.615 flat angles P-C4'-P energy: -55.395 tors. eta vs tors. theta energy: -17.325 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: 1, replica: 7 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -2890.536540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.536540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.536540 (E_RNA) where: Base-Base interactions energy: -1981.044 where: short stacking energy: -869.593 Base-Backbone interact. energy: -0.201 local terms energy: -909.290609 where: bonds (distance) C4'-P energy: -170.535 bonds (distance) P-C4' energy: -172.893 flat angles C4'-P-C4' energy: -185.028 flat angles P-C4'-P energy: -125.905 tors. eta vs tors. theta energy: -254.929 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: 6 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -2855.112228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.112228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.112228 (E_RNA) where: Base-Base interactions energy: -1991.239 where: short stacking energy: -843.442 Base-Backbone interact. energy: -2.924 local terms energy: -860.948792 where: bonds (distance) C4'-P energy: -150.058 bonds (distance) P-C4' energy: -164.818 flat angles C4'-P-C4' energy: -182.063 flat angles P-C4'-P energy: -121.796 tors. eta vs tors. theta energy: -242.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2755.769796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.769796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.769796 (E_RNA) where: Base-Base interactions energy: -1940.802 where: short stacking energy: -813.656 Base-Backbone interact. energy: -2.656 local terms energy: -812.312053 where: bonds (distance) C4'-P energy: -142.569 bonds (distance) P-C4' energy: -149.947 flat angles C4'-P-C4' energy: -186.984 flat angles P-C4'-P energy: -108.484 tors. eta vs tors. theta energy: -224.329 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: 4 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -2560.789381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.789381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.789381 (E_RNA) where: Base-Base interactions energy: -1760.787 where: short stacking energy: -737.475 Base-Backbone interact. energy: -4.259 local terms energy: -795.743246 where: bonds (distance) C4'-P energy: -142.951 bonds (distance) P-C4' energy: -158.713 flat angles C4'-P-C4' energy: -177.829 flat angles P-C4'-P energy: -114.497 tors. eta vs tors. theta energy: -201.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -2420.828425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.828425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.828425 (E_RNA) where: Base-Base interactions energy: -1711.078 where: short stacking energy: -708.734 Base-Backbone interact. energy: -4.409 local terms energy: -705.341883 where: bonds (distance) C4'-P energy: -118.063 bonds (distance) P-C4' energy: -127.404 flat angles C4'-P-C4' energy: -151.346 flat angles P-C4'-P energy: -107.962 tors. eta vs tors. theta energy: -200.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -2307.153802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.153802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.153802 (E_RNA) where: Base-Base interactions energy: -1595.085 where: short stacking energy: -702.303 Base-Backbone interact. energy: -7.223 local terms energy: -704.846286 where: bonds (distance) C4'-P energy: -138.840 bonds (distance) P-C4' energy: -144.648 flat angles C4'-P-C4' energy: -167.213 flat angles P-C4'-P energy: -71.576 tors. eta vs tors. theta energy: -182.571 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: 8 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -2192.615218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.615218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.615218 (E_RNA) where: Base-Base interactions energy: -1480.128 where: short stacking energy: -677.745 Base-Backbone interact. energy: -0.671 local terms energy: -711.816349 where: bonds (distance) C4'-P energy: -124.949 bonds (distance) P-C4' energy: -155.070 flat angles C4'-P-C4' energy: -170.686 flat angles P-C4'-P energy: -75.476 tors. eta vs tors. theta energy: -185.636 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: 2 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1677.563359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.563359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.563359 (E_RNA) where: Base-Base interactions energy: -1115.630 where: short stacking energy: -511.635 Base-Backbone interact. energy: -3.280 local terms energy: -558.653991 where: bonds (distance) C4'-P energy: -124.537 bonds (distance) P-C4' energy: -119.386 flat angles C4'-P-C4' energy: -141.671 flat angles P-C4'-P energy: -70.798 tors. eta vs tors. theta energy: -102.262 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: 9, replica: 1 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -1298.559333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.559333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.559333 (E_RNA) where: Base-Base interactions energy: -788.058 where: short stacking energy: -387.142 Base-Backbone interact. energy: -2.405 local terms energy: -508.096514 where: bonds (distance) C4'-P energy: -123.061 bonds (distance) P-C4' energy: -145.229 flat angles C4'-P-C4' energy: -123.165 flat angles P-C4'-P energy: -72.103 tors. eta vs tors. theta energy: -44.539 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: 3 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -990.209088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.209088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.209088 (E_RNA) where: Base-Base interactions energy: -589.319 where: short stacking energy: -331.490 Base-Backbone interact. energy: -3.168 local terms energy: -397.722513 where: bonds (distance) C4'-P energy: -123.093 bonds (distance) P-C4' energy: -97.347 flat angles C4'-P-C4' energy: -103.548 flat angles P-C4'-P energy: -51.733 tors. eta vs tors. theta energy: -22.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -2885.133601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.133601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.133601 (E_RNA) where: Base-Base interactions energy: -2002.094 where: short stacking energy: -842.621 Base-Backbone interact. energy: -4.551 local terms energy: -878.488418 where: bonds (distance) C4'-P energy: -151.772 bonds (distance) P-C4' energy: -169.928 flat angles C4'-P-C4' energy: -183.776 flat angles P-C4'-P energy: -126.694 tors. eta vs tors. theta energy: -246.318 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: 2, replica: 6 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -2879.014704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.014704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.014704 (E_RNA) where: Base-Base interactions energy: -2007.363 where: short stacking energy: -851.350 Base-Backbone interact. energy: -2.106 local terms energy: -869.545583 where: bonds (distance) C4'-P energy: -154.132 bonds (distance) P-C4' energy: -170.181 flat angles C4'-P-C4' energy: -180.178 flat angles P-C4'-P energy: -115.237 tors. eta vs tors. theta energy: -249.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -2728.468906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.468906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.468906 (E_RNA) where: Base-Base interactions energy: -1928.771 where: short stacking energy: -768.627 Base-Backbone interact. energy: -5.838 local terms energy: -793.859837 where: bonds (distance) C4'-P energy: -151.059 bonds (distance) P-C4' energy: -142.524 flat angles C4'-P-C4' energy: -180.214 flat angles P-C4'-P energy: -112.334 tors. eta vs tors. theta energy: -207.729 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: 319 Temperature: 1.050000 Total energy: -2553.019034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.019034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.019034 (E_RNA) where: Base-Base interactions energy: -1767.456 where: short stacking energy: -752.599 Base-Backbone interact. energy: -3.063 local terms energy: -782.500484 where: bonds (distance) C4'-P energy: -158.745 bonds (distance) P-C4' energy: -150.849 flat angles C4'-P-C4' energy: -171.123 flat angles P-C4'-P energy: -98.605 tors. eta vs tors. theta energy: -203.177 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: 5 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -2433.339162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.339162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.339162 (E_RNA) where: Base-Base interactions energy: -1687.413 where: short stacking energy: -716.829 Base-Backbone interact. energy: -4.800 local terms energy: -741.126616 where: bonds (distance) C4'-P energy: -135.467 bonds (distance) P-C4' energy: -141.071 flat angles C4'-P-C4' energy: -154.817 flat angles P-C4'-P energy: -104.265 tors. eta vs tors. theta energy: -205.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -2311.326278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.326278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.326278 (E_RNA) where: Base-Base interactions energy: -1598.265 where: short stacking energy: -672.987 Base-Backbone interact. energy: -0.021 local terms energy: -713.040025 where: bonds (distance) C4'-P energy: -125.391 bonds (distance) P-C4' energy: -148.926 flat angles C4'-P-C4' energy: -163.918 flat angles P-C4'-P energy: -100.685 tors. eta vs tors. theta energy: -174.121 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: 8 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -2065.441461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.441461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.441461 (E_RNA) where: Base-Base interactions energy: -1428.225 where: short stacking energy: -630.893 Base-Backbone interact. energy: -1.979 local terms energy: -635.237899 where: bonds (distance) C4'-P energy: -114.929 bonds (distance) P-C4' energy: -134.676 flat angles C4'-P-C4' energy: -132.385 flat angles P-C4'-P energy: -97.108 tors. eta vs tors. theta energy: -156.140 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: 8, replica: 2 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1593.595379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.595379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.595379 (E_RNA) where: Base-Base interactions energy: -1015.956 where: short stacking energy: -458.341 Base-Backbone interact. energy: 0.121 local terms energy: -577.759982 where: bonds (distance) C4'-P energy: -144.209 bonds (distance) P-C4' energy: -142.521 flat angles C4'-P-C4' energy: -133.981 flat angles P-C4'-P energy: -84.805 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: 9, replica: 1 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -1311.544835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.544835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.544835 (E_RNA) where: Base-Base interactions energy: -794.244 where: short stacking energy: -410.498 Base-Backbone interact. energy: 2.544 local terms energy: -519.844392 where: bonds (distance) C4'-P energy: -118.832 bonds (distance) P-C4' energy: -149.193 flat angles C4'-P-C4' energy: -115.489 flat angles P-C4'-P energy: -81.086 tors. eta vs tors. theta energy: -55.244 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: 10, replica: 3 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -1002.007707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.007707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.007707 (E_RNA) where: Base-Base interactions energy: -570.473 where: short stacking energy: -287.478 Base-Backbone interact. energy: 16.310 local terms energy: -447.845413 where: bonds (distance) C4'-P energy: -104.025 bonds (distance) P-C4' energy: -126.478 flat angles C4'-P-C4' energy: -118.314 flat angles P-C4'-P energy: -81.571 tors. eta vs tors. theta energy: -17.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -2897.373017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.373017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.373017 (E_RNA) where: Base-Base interactions energy: -2022.929 where: short stacking energy: -880.371 Base-Backbone interact. energy: -3.016 local terms energy: -871.428076 where: bonds (distance) C4'-P energy: -154.406 bonds (distance) P-C4' energy: -159.573 flat angles C4'-P-C4' energy: -193.926 flat angles P-C4'-P energy: -105.224 tors. eta vs tors. theta energy: -258.300 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: 2, replica: 6 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -2866.185176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.185176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.185176 (E_RNA) where: Base-Base interactions energy: -2047.532 where: short stacking energy: -867.705 Base-Backbone interact. energy: 2.317 local terms energy: -820.970744 where: bonds (distance) C4'-P energy: -134.463 bonds (distance) P-C4' energy: -156.086 flat angles C4'-P-C4' energy: -181.262 flat angles P-C4'-P energy: -100.481 tors. eta vs tors. theta energy: -248.679 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: 3, replica: 10 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2721.282869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.282869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.282869 (E_RNA) where: Base-Base interactions energy: -1903.971 where: short stacking energy: -803.762 Base-Backbone interact. energy: -5.728 local terms energy: -811.583745 where: bonds (distance) C4'-P energy: -147.701 bonds (distance) P-C4' energy: -147.093 flat angles C4'-P-C4' energy: -172.009 flat angles P-C4'-P energy: -115.430 tors. eta vs tors. theta energy: -229.350 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: 4 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -2551.494174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.494174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.494174 (E_RNA) where: Base-Base interactions energy: -1758.889 where: short stacking energy: -734.325 Base-Backbone interact. energy: 1.846 local terms energy: -794.451403 where: bonds (distance) C4'-P energy: -153.786 bonds (distance) P-C4' energy: -149.292 flat angles C4'-P-C4' energy: -180.563 flat angles P-C4'-P energy: -116.090 tors. eta vs tors. theta energy: -194.720 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: 5, replica: 5 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -2469.079275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.079275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.079275 (E_RNA) where: Base-Base interactions energy: -1745.661 where: short stacking energy: -745.423 Base-Backbone interact. energy: -2.376 local terms energy: -721.043000 where: bonds (distance) C4'-P energy: -130.733 bonds (distance) P-C4' energy: -132.401 flat angles C4'-P-C4' energy: -167.451 flat angles P-C4'-P energy: -80.916 tors. eta vs tors. theta energy: -209.542 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: 6, replica: 9 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -2419.926555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.926555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.926555 (E_RNA) where: Base-Base interactions energy: -1687.150 where: short stacking energy: -735.770 Base-Backbone interact. energy: -2.506 local terms energy: -730.270780 where: bonds (distance) C4'-P energy: -117.602 bonds (distance) P-C4' energy: -149.971 flat angles C4'-P-C4' energy: -156.692 flat angles P-C4'-P energy: -107.775 tors. eta vs tors. theta energy: -198.231 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: 8 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -2030.895465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.895465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.895465 (E_RNA) where: Base-Base interactions energy: -1367.087 where: short stacking energy: -604.364 Base-Backbone interact. energy: -3.121 local terms energy: -660.687491 where: bonds (distance) C4'-P energy: -132.799 bonds (distance) P-C4' energy: -127.933 flat angles C4'-P-C4' energy: -164.213 flat angles P-C4'-P energy: -84.089 tors. eta vs tors. theta energy: -151.654 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: 8, replica: 2 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1704.418051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.418051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.418051 (E_RNA) where: Base-Base interactions energy: -1108.052 where: short stacking energy: -510.049 Base-Backbone interact. energy: -0.755 local terms energy: -595.610403 where: bonds (distance) C4'-P energy: -137.438 bonds (distance) P-C4' energy: -145.596 flat angles C4'-P-C4' energy: -124.268 flat angles P-C4'-P energy: -75.245 tors. eta vs tors. theta energy: -113.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -1270.011609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.011609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.011609 (E_RNA) where: Base-Base interactions energy: -758.034 where: short stacking energy: -349.171 Base-Backbone interact. energy: 0.615 local terms energy: -512.592840 where: bonds (distance) C4'-P energy: -134.620 bonds (distance) P-C4' energy: -151.479 flat angles C4'-P-C4' energy: -126.266 flat angles P-C4'-P energy: -77.251 tors. eta vs tors. theta energy: -22.977 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: 3 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -900.999885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.999885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.999885 (E_RNA) where: Base-Base interactions energy: -448.231 where: short stacking energy: -247.487 Base-Backbone interact. energy: 3.174 local terms energy: -455.943168 where: bonds (distance) C4'-P energy: -135.498 bonds (distance) P-C4' energy: -151.388 flat angles C4'-P-C4' energy: -119.603 flat angles P-C4'-P energy: -56.072 tors. eta vs tors. theta energy: 6.619 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: 7 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -2892.418147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.418147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.418147 (E_RNA) where: Base-Base interactions energy: -1997.740 where: short stacking energy: -873.246 Base-Backbone interact. energy: 4.255 local terms energy: -898.933127 where: bonds (distance) C4'-P energy: -155.244 bonds (distance) P-C4' energy: -164.813 flat angles C4'-P-C4' energy: -194.735 flat angles P-C4'-P energy: -125.168 tors. eta vs tors. theta energy: -258.974 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: 6 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -2869.475855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.475855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.475855 (E_RNA) where: Base-Base interactions energy: -1998.788 where: short stacking energy: -819.604 Base-Backbone interact. energy: -1.911 local terms energy: -868.777144 where: bonds (distance) C4'-P energy: -169.404 bonds (distance) P-C4' energy: -148.472 flat angles C4'-P-C4' energy: -187.254 flat angles P-C4'-P energy: -121.871 tors. eta vs tors. theta energy: -241.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -2722.360358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.360358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.360358 (E_RNA) where: Base-Base interactions energy: -1905.891 where: short stacking energy: -805.292 Base-Backbone interact. energy: -4.105 local terms energy: -812.364251 where: bonds (distance) C4'-P energy: -131.121 bonds (distance) P-C4' energy: -164.304 flat angles C4'-P-C4' energy: -171.207 flat angles P-C4'-P energy: -117.707 tors. eta vs tors. theta energy: -228.025 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: 4, replica: 4 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -2564.320506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.320506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.320506 (E_RNA) where: Base-Base interactions energy: -1786.529 where: short stacking energy: -740.769 Base-Backbone interact. energy: -1.871 local terms energy: -775.920090 where: bonds (distance) C4'-P energy: -137.360 bonds (distance) P-C4' energy: -153.061 flat angles C4'-P-C4' energy: -170.944 flat angles P-C4'-P energy: -111.176 tors. eta vs tors. theta energy: -203.379 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: 5, replica: 5 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -2410.408148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.408148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.408148 (E_RNA) where: Base-Base interactions energy: -1704.794 where: short stacking energy: -704.336 Base-Backbone interact. energy: -4.401 local terms energy: -701.212998 where: bonds (distance) C4'-P energy: -134.558 bonds (distance) P-C4' energy: -122.913 flat angles C4'-P-C4' energy: -145.142 flat angles P-C4'-P energy: -112.165 tors. eta vs tors. theta energy: -186.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -2429.199641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.199641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.199641 (E_RNA) where: Base-Base interactions energy: -1732.556 where: short stacking energy: -711.156 Base-Backbone interact. energy: -0.366 local terms energy: -696.277122 where: bonds (distance) C4'-P energy: -148.233 bonds (distance) P-C4' energy: -136.149 flat angles C4'-P-C4' energy: -147.727 flat angles P-C4'-P energy: -84.286 tors. eta vs tors. theta energy: -179.883 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: 8 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -2111.766056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.766056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.766056 (E_RNA) where: Base-Base interactions energy: -1385.408 where: short stacking energy: -615.577 Base-Backbone interact. energy: -2.658 local terms energy: -723.700142 where: bonds (distance) C4'-P energy: -140.083 bonds (distance) P-C4' energy: -140.694 flat angles C4'-P-C4' energy: -162.610 flat angles P-C4'-P energy: -105.360 tors. eta vs tors. theta energy: -174.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1688.827949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.827949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.827949 (E_RNA) where: Base-Base interactions energy: -1073.345 where: short stacking energy: -469.291 Base-Backbone interact. energy: -0.400 local terms energy: -615.082428 where: bonds (distance) C4'-P energy: -140.505 bonds (distance) P-C4' energy: -124.801 flat angles C4'-P-C4' energy: -162.677 flat angles P-C4'-P energy: -90.648 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: 1 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -1323.133795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.133795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.133795 (E_RNA) where: Base-Base interactions energy: -810.114 where: short stacking energy: -374.023 Base-Backbone interact. energy: -3.182 local terms energy: -509.837884 where: bonds (distance) C4'-P energy: -138.945 bonds (distance) P-C4' energy: -126.298 flat angles C4'-P-C4' energy: -122.728 flat angles P-C4'-P energy: -80.024 tors. eta vs tors. theta energy: -41.843 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: 3 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -845.713000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.713000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.713000 (E_RNA) where: Base-Base interactions energy: -404.092 where: short stacking energy: -213.301 Base-Backbone interact. energy: 1.081 local terms energy: -442.702640 where: bonds (distance) C4'-P energy: -118.533 bonds (distance) P-C4' energy: -137.128 flat angles C4'-P-C4' energy: -96.703 flat angles P-C4'-P energy: -82.257 tors. eta vs tors. theta energy: -8.081 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: 1, replica: 7 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -2912.479479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.479479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.479479 (E_RNA) where: Base-Base interactions energy: -2035.524 where: short stacking energy: -890.415 Base-Backbone interact. energy: -2.200 local terms energy: -874.756014 where: bonds (distance) C4'-P energy: -149.634 bonds (distance) P-C4' energy: -157.957 flat angles C4'-P-C4' energy: -176.191 flat angles P-C4'-P energy: -133.244 tors. eta vs tors. theta energy: -257.730 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: 6 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -2882.975779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.975779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.975779 (E_RNA) where: Base-Base interactions energy: -2007.960 where: short stacking energy: -839.159 Base-Backbone interact. energy: -3.316 local terms energy: -871.699260 where: bonds (distance) C4'-P energy: -159.107 bonds (distance) P-C4' energy: -165.164 flat angles C4'-P-C4' energy: -188.077 flat angles P-C4'-P energy: -108.146 tors. eta vs tors. theta energy: -251.204 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: 10 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2748.941458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.941458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.941458 (E_RNA) where: Base-Base interactions energy: -1916.657 where: short stacking energy: -816.303 Base-Backbone interact. energy: -4.570 local terms energy: -827.713700 where: bonds (distance) C4'-P energy: -144.827 bonds (distance) P-C4' energy: -164.196 flat angles C4'-P-C4' energy: -170.991 flat angles P-C4'-P energy: -118.120 tors. eta vs tors. theta energy: -229.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -2612.620740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.620740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.620740 (E_RNA) where: Base-Base interactions energy: -1821.667 where: short stacking energy: -780.167 Base-Backbone interact. energy: -2.933 local terms energy: -788.020650 where: bonds (distance) C4'-P energy: -139.407 bonds (distance) P-C4' energy: -152.091 flat angles C4'-P-C4' energy: -175.886 flat angles P-C4'-P energy: -109.215 tors. eta vs tors. theta energy: -211.422 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: 5, replica: 9 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -2421.899228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.899228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.899228 (E_RNA) where: Base-Base interactions energy: -1687.757 where: short stacking energy: -719.139 Base-Backbone interact. energy: 1.273 local terms energy: -735.415882 where: bonds (distance) C4'-P energy: -141.789 bonds (distance) P-C4' energy: -142.902 flat angles C4'-P-C4' energy: -157.537 flat angles P-C4'-P energy: -99.618 tors. eta vs tors. theta energy: -193.570 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: 322 Temperature: 1.150000 Total energy: -2409.280086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.280086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.280086 (E_RNA) where: Base-Base interactions energy: -1665.139 where: short stacking energy: -700.299 Base-Backbone interact. energy: -0.211 local terms energy: -743.929939 where: bonds (distance) C4'-P energy: -148.816 bonds (distance) P-C4' energy: -135.001 flat angles C4'-P-C4' energy: -163.343 flat angles P-C4'-P energy: -100.097 tors. eta vs tors. theta energy: -196.673 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: 8 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -2147.261699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.261699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.261699 (E_RNA) where: Base-Base interactions energy: -1479.241 where: short stacking energy: -656.695 Base-Backbone interact. energy: -2.727 local terms energy: -665.293767 where: bonds (distance) C4'-P energy: -128.430 bonds (distance) P-C4' energy: -140.848 flat angles C4'-P-C4' energy: -141.178 flat angles P-C4'-P energy: -90.643 tors. eta vs tors. theta energy: -164.196 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: 8, replica: 2 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1751.822008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.822008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.822008 (E_RNA) where: Base-Base interactions energy: -1118.708 where: short stacking energy: -514.545 Base-Backbone interact. energy: -2.344 local terms energy: -630.770714 where: bonds (distance) C4'-P energy: -143.295 bonds (distance) P-C4' energy: -137.246 flat angles C4'-P-C4' energy: -136.208 flat angles P-C4'-P energy: -105.032 tors. eta vs tors. theta energy: -108.990 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: 1 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -1282.136044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.136044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.136044 (E_RNA) where: Base-Base interactions energy: -797.014 where: short stacking energy: -367.519 Base-Backbone interact. energy: 1.757 local terms energy: -486.878529 where: bonds (distance) C4'-P energy: -124.314 bonds (distance) P-C4' energy: -143.870 flat angles C4'-P-C4' energy: -122.860 flat angles P-C4'-P energy: -62.520 tors. eta vs tors. theta energy: -33.315 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: 10, replica: 3 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -866.883566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.883566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.883566 (E_RNA) where: Base-Base interactions energy: -435.453 where: short stacking energy: -248.836 Base-Backbone interact. energy: 2.447 local terms energy: -433.877519 where: bonds (distance) C4'-P energy: -113.466 bonds (distance) P-C4' energy: -140.998 flat angles C4'-P-C4' energy: -130.484 flat angles P-C4'-P energy: -46.044 tors. eta vs tors. theta energy: -2.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -2879.946464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.946464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.946464 (E_RNA) where: Base-Base interactions energy: -2026.276 where: short stacking energy: -891.855 Base-Backbone interact. energy: -0.432 local terms energy: -853.238461 where: bonds (distance) C4'-P energy: -142.392 bonds (distance) P-C4' energy: -154.017 flat angles C4'-P-C4' energy: -190.119 flat angles P-C4'-P energy: -118.426 tors. eta vs tors. theta energy: -248.284 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: 2, replica: 6 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -2860.718459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.718459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.718459 (E_RNA) where: Base-Base interactions energy: -2010.049 where: short stacking energy: -827.211 Base-Backbone interact. energy: -3.931 local terms energy: -846.739111 where: bonds (distance) C4'-P energy: -158.701 bonds (distance) P-C4' energy: -154.825 flat angles C4'-P-C4' energy: -178.621 flat angles P-C4'-P energy: -110.610 tors. eta vs tors. theta energy: -243.983 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: 3, replica: 10 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -2756.045248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.045248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.045248 (E_RNA) where: Base-Base interactions energy: -1941.606 where: short stacking energy: -809.730 Base-Backbone interact. energy: -5.551 local terms energy: -808.887424 where: bonds (distance) C4'-P energy: -134.150 bonds (distance) P-C4' energy: -153.433 flat angles C4'-P-C4' energy: -176.086 flat angles P-C4'-P energy: -126.616 tors. eta vs tors. theta energy: -218.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -2637.813034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.813034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.813034 (E_RNA) where: Base-Base interactions energy: -1822.586 where: short stacking energy: -786.490 Base-Backbone interact. energy: -2.434 local terms energy: -812.793254 where: bonds (distance) C4'-P energy: -144.400 bonds (distance) P-C4' energy: -166.608 flat angles C4'-P-C4' energy: -169.104 flat angles P-C4'-P energy: -112.400 tors. eta vs tors. theta energy: -220.281 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: 5, replica: 9 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -2430.738589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.738589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.738589 (E_RNA) where: Base-Base interactions energy: -1686.681 where: short stacking energy: -760.649 Base-Backbone interact. energy: 1.056 local terms energy: -745.114425 where: bonds (distance) C4'-P energy: -144.719 bonds (distance) P-C4' energy: -129.103 flat angles C4'-P-C4' energy: -167.089 flat angles P-C4'-P energy: -105.404 tors. eta vs tors. theta energy: -198.800 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: 323 Temperature: 1.150000 Total energy: -2379.106105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.106105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.106105 (E_RNA) where: Base-Base interactions energy: -1637.704 where: short stacking energy: -696.285 Base-Backbone interact. energy: 0.001 local terms energy: -741.402486 where: bonds (distance) C4'-P energy: -132.257 bonds (distance) P-C4' energy: -149.829 flat angles C4'-P-C4' energy: -171.637 flat angles P-C4'-P energy: -108.641 tors. eta vs tors. theta energy: -179.039 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: 7, replica: 8 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -2079.130117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.130117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.130117 (E_RNA) where: Base-Base interactions energy: -1378.483 where: short stacking energy: -614.155 Base-Backbone interact. energy: -4.395 local terms energy: -696.251808 where: bonds (distance) C4'-P energy: -148.772 bonds (distance) P-C4' energy: -145.691 flat angles C4'-P-C4' energy: -150.671 flat angles P-C4'-P energy: -91.403 tors. eta vs tors. theta energy: -159.715 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: 2 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1797.891841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.891841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.891841 (E_RNA) where: Base-Base interactions energy: -1186.823 where: short stacking energy: -552.606 Base-Backbone interact. energy: -1.128 local terms energy: -609.940790 where: bonds (distance) C4'-P energy: -133.811 bonds (distance) P-C4' energy: -136.076 flat angles C4'-P-C4' energy: -132.503 flat angles P-C4'-P energy: -83.722 tors. eta vs tors. theta energy: -123.829 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: 1 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -1282.448162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.448162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.448162 (E_RNA) where: Base-Base interactions energy: -771.651 where: short stacking energy: -353.767 Base-Backbone interact. energy: -3.720 local terms energy: -507.077369 where: bonds (distance) C4'-P energy: -108.958 bonds (distance) P-C4' energy: -134.956 flat angles C4'-P-C4' energy: -128.481 flat angles P-C4'-P energy: -82.142 tors. eta vs tors. theta energy: -52.541 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: 10, replica: 3 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -856.047375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.047375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.047375 (E_RNA) where: Base-Base interactions energy: -443.139 where: short stacking energy: -231.467 Base-Backbone interact. energy: 6.149 local terms energy: -419.058291 where: bonds (distance) C4'-P energy: -117.162 bonds (distance) P-C4' energy: -119.260 flat angles C4'-P-C4' energy: -123.341 flat angles P-C4'-P energy: -70.312 tors. eta vs tors. theta energy: 11.016 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: 1, replica: 7 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -2901.117371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.117371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.117371 (E_RNA) where: Base-Base interactions energy: -2014.939 where: short stacking energy: -896.989 Base-Backbone interact. energy: -0.207 local terms energy: -885.971080 where: bonds (distance) C4'-P energy: -143.985 bonds (distance) P-C4' energy: -151.156 flat angles C4'-P-C4' energy: -190.844 flat angles P-C4'-P energy: -135.160 tors. eta vs tors. theta energy: -264.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2869.669512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.669512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.669512 (E_RNA) where: Base-Base interactions energy: -2001.907 where: short stacking energy: -844.456 Base-Backbone interact. energy: -5.055 local terms energy: -862.707516 where: bonds (distance) C4'-P energy: -160.425 bonds (distance) P-C4' energy: -156.434 flat angles C4'-P-C4' energy: -179.957 flat angles P-C4'-P energy: -108.571 tors. eta vs tors. theta energy: -257.320 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: 3, replica: 10 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -2753.782252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.782252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.782252 (E_RNA) where: Base-Base interactions energy: -1929.817 where: short stacking energy: -822.178 Base-Backbone interact. energy: -3.815 local terms energy: -820.149633 where: bonds (distance) C4'-P energy: -145.874 bonds (distance) P-C4' energy: -153.239 flat angles C4'-P-C4' energy: -178.168 flat angles P-C4'-P energy: -117.524 tors. eta vs tors. theta energy: -225.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -2610.576095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.576095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.576095 (E_RNA) where: Base-Base interactions energy: -1792.221 where: short stacking energy: -759.431 Base-Backbone interact. energy: -3.305 local terms energy: -815.049907 where: bonds (distance) C4'-P energy: -142.078 bonds (distance) P-C4' energy: -160.459 flat angles C4'-P-C4' energy: -185.781 flat angles P-C4'-P energy: -114.149 tors. eta vs tors. theta energy: -212.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -2437.671276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.671276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.671276 (E_RNA) where: Base-Base interactions energy: -1659.403 where: short stacking energy: -710.057 Base-Backbone interact. energy: -1.348 local terms energy: -776.920221 where: bonds (distance) C4'-P energy: -143.272 bonds (distance) P-C4' energy: -163.167 flat angles C4'-P-C4' energy: -174.601 flat angles P-C4'-P energy: -104.129 tors. eta vs tors. theta energy: -191.751 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: 6, replica: 5 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -2382.827857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.827857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.827857 (E_RNA) where: Base-Base interactions energy: -1651.968 where: short stacking energy: -702.865 Base-Backbone interact. energy: -1.396 local terms energy: -729.464272 where: bonds (distance) C4'-P energy: -134.241 bonds (distance) P-C4' energy: -143.112 flat angles C4'-P-C4' energy: -165.660 flat angles P-C4'-P energy: -99.212 tors. eta vs tors. theta energy: -187.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -2150.030496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.030496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.030496 (E_RNA) where: Base-Base interactions energy: -1484.016 where: short stacking energy: -655.466 Base-Backbone interact. energy: -4.880 local terms energy: -661.134380 where: bonds (distance) C4'-P energy: -101.686 bonds (distance) P-C4' energy: -147.621 flat angles C4'-P-C4' energy: -152.882 flat angles P-C4'-P energy: -76.753 tors. eta vs tors. theta energy: -182.193 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: 2 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1768.253260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.253260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.253260 (E_RNA) where: Base-Base interactions energy: -1149.477 where: short stacking energy: -501.345 Base-Backbone interact. energy: 0.892 local terms energy: -619.667896 where: bonds (distance) C4'-P energy: -135.167 bonds (distance) P-C4' energy: -139.003 flat angles C4'-P-C4' energy: -137.843 flat angles P-C4'-P energy: -93.781 tors. eta vs tors. theta energy: -113.874 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: 1 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -1124.905845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.905845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.905845 (E_RNA) where: Base-Base interactions energy: -661.899 where: short stacking energy: -324.275 Base-Backbone interact. energy: -0.430 local terms energy: -462.576826 where: bonds (distance) C4'-P energy: -131.147 bonds (distance) P-C4' energy: -131.143 flat angles C4'-P-C4' energy: -127.792 flat angles P-C4'-P energy: -61.008 tors. eta vs tors. theta energy: -11.486 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: 3 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -916.901488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.901488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.901488 (E_RNA) where: Base-Base interactions energy: -461.336 where: short stacking energy: -261.946 Base-Backbone interact. energy: 11.768 local terms energy: -467.334016 where: bonds (distance) C4'-P energy: -117.207 bonds (distance) P-C4' energy: -136.012 flat angles C4'-P-C4' energy: -129.020 flat angles P-C4'-P energy: -84.552 tors. eta vs tors. theta energy: -0.544 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: 1, replica: 7 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -2906.877605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.877605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.877605 (E_RNA) where: Base-Base interactions energy: -2021.205 where: short stacking energy: -886.178 Base-Backbone interact. energy: 0.543 local terms energy: -886.216176 where: bonds (distance) C4'-P energy: -159.089 bonds (distance) P-C4' energy: -166.423 flat angles C4'-P-C4' energy: -190.513 flat angles P-C4'-P energy: -119.702 tors. eta vs tors. theta energy: -250.489 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: 2, replica: 6 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -2865.003581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.003581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.003581 (E_RNA) where: Base-Base interactions energy: -2012.154 where: short stacking energy: -868.596 Base-Backbone interact. energy: -0.506 local terms energy: -852.344500 where: bonds (distance) C4'-P energy: -152.494 bonds (distance) P-C4' energy: -145.272 flat angles C4'-P-C4' energy: -194.529 flat angles P-C4'-P energy: -122.979 tors. eta vs tors. theta energy: -237.070 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: 10 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -2770.683225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.683225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.683225 (E_RNA) where: Base-Base interactions energy: -1964.821 where: short stacking energy: -826.691 Base-Backbone interact. energy: 2.298 local terms energy: -808.160407 where: bonds (distance) C4'-P energy: -148.865 bonds (distance) P-C4' energy: -164.042 flat angles C4'-P-C4' energy: -164.562 flat angles P-C4'-P energy: -117.669 tors. eta vs tors. theta energy: -213.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -2606.753517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.753517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.753517 (E_RNA) where: Base-Base interactions energy: -1792.297 where: short stacking energy: -770.086 Base-Backbone interact. energy: -4.460 local terms energy: -809.996683 where: bonds (distance) C4'-P energy: -146.999 bonds (distance) P-C4' energy: -156.170 flat angles C4'-P-C4' energy: -182.269 flat angles P-C4'-P energy: -119.009 tors. eta vs tors. theta energy: -205.550 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: 5, replica: 9 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -2426.258644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.258644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.258644 (E_RNA) where: Base-Base interactions energy: -1690.299 where: short stacking energy: -738.661 Base-Backbone interact. energy: -4.072 local terms energy: -731.886954 where: bonds (distance) C4'-P energy: -133.873 bonds (distance) P-C4' energy: -139.154 flat angles C4'-P-C4' energy: -170.125 flat angles P-C4'-P energy: -105.726 tors. eta vs tors. theta energy: -183.010 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: 5 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -2367.629304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.629304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.629304 (E_RNA) where: Base-Base interactions energy: -1658.359 where: short stacking energy: -726.610 Base-Backbone interact. energy: -0.221 local terms energy: -709.049419 where: bonds (distance) C4'-P energy: -128.343 bonds (distance) P-C4' energy: -134.315 flat angles C4'-P-C4' energy: -161.214 flat angles P-C4'-P energy: -93.957 tors. eta vs tors. theta energy: -191.220 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: 8 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -2146.835413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.835413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.835413 (E_RNA) where: Base-Base interactions energy: -1447.968 where: short stacking energy: -616.380 Base-Backbone interact. energy: -1.427 local terms energy: -697.440603 where: bonds (distance) C4'-P energy: -140.049 bonds (distance) P-C4' energy: -134.695 flat angles C4'-P-C4' energy: -160.992 flat angles P-C4'-P energy: -95.102 tors. eta vs tors. theta energy: -166.603 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: 8, replica: 2 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1766.422543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.422543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.422543 (E_RNA) where: Base-Base interactions energy: -1143.711 where: short stacking energy: -495.408 Base-Backbone interact. energy: -0.233 local terms energy: -622.478309 where: bonds (distance) C4'-P energy: -122.456 bonds (distance) P-C4' energy: -132.193 flat angles C4'-P-C4' energy: -149.276 flat angles P-C4'-P energy: -104.052 tors. eta vs tors. theta energy: -114.502 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: 9, replica: 1 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -1175.739007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.739007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.739007 (E_RNA) where: Base-Base interactions energy: -673.856 where: short stacking energy: -339.417 Base-Backbone interact. energy: 3.274 local terms energy: -505.157279 where: bonds (distance) C4'-P energy: -141.560 bonds (distance) P-C4' energy: -162.428 flat angles C4'-P-C4' energy: -119.291 flat angles P-C4'-P energy: -61.289 tors. eta vs tors. theta energy: -20.589 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: 3 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -936.616299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.616299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.616299 (E_RNA) where: Base-Base interactions energy: -513.472 where: short stacking energy: -280.891 Base-Backbone interact. energy: 0.683 local terms energy: -423.827782 where: bonds (distance) C4'-P energy: -126.278 bonds (distance) P-C4' energy: -111.135 flat angles C4'-P-C4' energy: -117.844 flat angles P-C4'-P energy: -75.130 tors. eta vs tors. theta energy: 6.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -2880.378126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.378126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.378126 (E_RNA) where: Base-Base interactions energy: -1980.594 where: short stacking energy: -890.923 Base-Backbone interact. energy: -0.968 local terms energy: -898.815529 where: bonds (distance) C4'-P energy: -155.298 bonds (distance) P-C4' energy: -166.456 flat angles C4'-P-C4' energy: -180.501 flat angles P-C4'-P energy: -143.268 tors. eta vs tors. theta energy: -253.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -2866.468938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.468938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.468938 (E_RNA) where: Base-Base interactions energy: -2022.529 where: short stacking energy: -881.946 Base-Backbone interact. energy: 2.121 local terms energy: -846.060499 where: bonds (distance) C4'-P energy: -156.626 bonds (distance) P-C4' energy: -160.146 flat angles C4'-P-C4' energy: -172.936 flat angles P-C4'-P energy: -112.714 tors. eta vs tors. theta energy: -243.638 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: 3, replica: 10 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -2783.919042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.919042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.919042 (E_RNA) where: Base-Base interactions energy: -1963.109 where: short stacking energy: -810.496 Base-Backbone interact. energy: -3.401 local terms energy: -817.409538 where: bonds (distance) C4'-P energy: -155.125 bonds (distance) P-C4' energy: -147.734 flat angles C4'-P-C4' energy: -181.428 flat angles P-C4'-P energy: -108.363 tors. eta vs tors. theta energy: -224.759 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: 4, replica: 4 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -2606.725136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.725136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.725136 (E_RNA) where: Base-Base interactions energy: -1833.894 where: short stacking energy: -779.809 Base-Backbone interact. energy: -1.232 local terms energy: -771.599644 where: bonds (distance) C4'-P energy: -143.135 bonds (distance) P-C4' energy: -155.567 flat angles C4'-P-C4' energy: -169.226 flat angles P-C4'-P energy: -96.597 tors. eta vs tors. theta energy: -207.075 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: 326 Temperature: 1.100000 Total energy: -2493.044692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.044692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.044692 (E_RNA) where: Base-Base interactions energy: -1674.666 where: short stacking energy: -743.517 Base-Backbone interact. energy: -3.034 local terms energy: -815.344227 where: bonds (distance) C4'-P energy: -151.237 bonds (distance) P-C4' energy: -161.225 flat angles C4'-P-C4' energy: -168.487 flat angles P-C4'-P energy: -118.986 tors. eta vs tors. theta energy: -215.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -2376.346171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.346171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.346171 (E_RNA) where: Base-Base interactions energy: -1663.220 where: short stacking energy: -699.682 Base-Backbone interact. energy: -2.925 local terms energy: -710.200934 where: bonds (distance) C4'-P energy: -135.202 bonds (distance) P-C4' energy: -129.532 flat angles C4'-P-C4' energy: -160.885 flat angles P-C4'-P energy: -90.877 tors. eta vs tors. theta energy: -193.705 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: 7, replica: 8 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -2128.360433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.360433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.360433 (E_RNA) where: Base-Base interactions energy: -1450.042 where: short stacking energy: -629.626 Base-Backbone interact. energy: 0.173 local terms energy: -678.492231 where: bonds (distance) C4'-P energy: -140.914 bonds (distance) P-C4' energy: -119.380 flat angles C4'-P-C4' energy: -148.234 flat angles P-C4'-P energy: -99.875 tors. eta vs tors. theta energy: -170.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1804.449918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.449918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.449918 (E_RNA) where: Base-Base interactions energy: -1180.976 where: short stacking energy: -537.299 Base-Backbone interact. energy: -4.335 local terms energy: -619.139615 where: bonds (distance) C4'-P energy: -128.047 bonds (distance) P-C4' energy: -119.875 flat angles C4'-P-C4' energy: -155.962 flat angles P-C4'-P energy: -89.042 tors. eta vs tors. theta energy: -126.213 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: 1 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -1126.835850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.835850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.835850 (E_RNA) where: Base-Base interactions energy: -663.411 where: short stacking energy: -338.928 Base-Backbone interact. energy: 5.863 local terms energy: -469.287547 where: bonds (distance) C4'-P energy: -123.802 bonds (distance) P-C4' energy: -128.837 flat angles C4'-P-C4' energy: -132.347 flat angles P-C4'-P energy: -70.759 tors. eta vs tors. theta energy: -13.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -986.800687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.800687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.800687 (E_RNA) where: Base-Base interactions energy: -536.994 where: short stacking energy: -312.916 Base-Backbone interact. energy: 1.351 local terms energy: -451.157979 where: bonds (distance) C4'-P energy: -123.327 bonds (distance) P-C4' energy: -131.476 flat angles C4'-P-C4' energy: -105.215 flat angles P-C4'-P energy: -62.555 tors. eta vs tors. theta energy: -28.585 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: 1, replica: 7 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -2890.301298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.301298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.301298 (E_RNA) where: Base-Base interactions energy: -1984.436 where: short stacking energy: -887.135 Base-Backbone interact. energy: -4.305 local terms energy: -901.560109 where: bonds (distance) C4'-P energy: -162.296 bonds (distance) P-C4' energy: -169.731 flat angles C4'-P-C4' energy: -182.399 flat angles P-C4'-P energy: -124.338 tors. eta vs tors. theta energy: -262.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -2851.509392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.509392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.509392 (E_RNA) where: Base-Base interactions energy: -1994.819 where: short stacking energy: -809.536 Base-Backbone interact. energy: -3.841 local terms energy: -852.849042 where: bonds (distance) C4'-P energy: -149.123 bonds (distance) P-C4' energy: -156.110 flat angles C4'-P-C4' energy: -190.995 flat angles P-C4'-P energy: -119.112 tors. eta vs tors. theta energy: -237.509 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: 10 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -2731.280418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.280418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.280418 (E_RNA) where: Base-Base interactions energy: -1915.356 where: short stacking energy: -785.291 Base-Backbone interact. energy: -2.851 local terms energy: -813.072713 where: bonds (distance) C4'-P energy: -147.229 bonds (distance) P-C4' energy: -160.560 flat angles C4'-P-C4' energy: -180.141 flat angles P-C4'-P energy: -109.344 tors. eta vs tors. theta energy: -215.799 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: 4, replica: 9 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -2559.701469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.701469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.701469 (E_RNA) where: Base-Base interactions energy: -1743.194 where: short stacking energy: -750.987 Base-Backbone interact. energy: -2.978 local terms energy: -813.530006 where: bonds (distance) C4'-P energy: -149.446 bonds (distance) P-C4' energy: -153.414 flat angles C4'-P-C4' energy: -175.601 flat angles P-C4'-P energy: -121.893 tors. eta vs tors. theta energy: -213.177 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: 4 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -2455.509875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.509875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.509875 (E_RNA) where: Base-Base interactions energy: -1676.546 where: short stacking energy: -722.535 Base-Backbone interact. energy: 1.517 local terms energy: -780.480863 where: bonds (distance) C4'-P energy: -158.055 bonds (distance) P-C4' energy: -149.042 flat angles C4'-P-C4' energy: -169.996 flat angles P-C4'-P energy: -101.601 tors. eta vs tors. theta energy: -201.787 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: 6, replica: 5 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -2426.293220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.293220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.293220 (E_RNA) where: Base-Base interactions energy: -1688.246 where: short stacking energy: -707.684 Base-Backbone interact. energy: -2.971 local terms energy: -735.076221 where: bonds (distance) C4'-P energy: -131.417 bonds (distance) P-C4' energy: -138.495 flat angles C4'-P-C4' energy: -159.340 flat angles P-C4'-P energy: -104.390 tors. eta vs tors. theta energy: -201.434 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: 8 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -2042.949338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.949338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.949338 (E_RNA) where: Base-Base interactions energy: -1340.791 where: short stacking energy: -598.516 Base-Backbone interact. energy: -3.434 local terms energy: -698.724120 where: bonds (distance) C4'-P energy: -140.266 bonds (distance) P-C4' energy: -147.640 flat angles C4'-P-C4' energy: -153.641 flat angles P-C4'-P energy: -115.019 tors. eta vs tors. theta energy: -142.158 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: 2 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1826.370467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.370467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.370467 (E_RNA) where: Base-Base interactions energy: -1222.205 where: short stacking energy: -560.250 Base-Backbone interact. energy: -2.122 local terms energy: -602.043162 where: bonds (distance) C4'-P energy: -109.537 bonds (distance) P-C4' energy: -145.847 flat angles C4'-P-C4' energy: -128.403 flat angles P-C4'-P energy: -95.282 tors. eta vs tors. theta energy: -122.974 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: 9, replica: 1 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -1222.437872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.437872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.437872 (E_RNA) where: Base-Base interactions energy: -744.882 where: short stacking energy: -381.472 Base-Backbone interact. energy: -0.571 local terms energy: -476.984629 where: bonds (distance) C4'-P energy: -133.779 bonds (distance) P-C4' energy: -108.311 flat angles C4'-P-C4' energy: -123.582 flat angles P-C4'-P energy: -70.734 tors. eta vs tors. theta energy: -40.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -1036.186243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.186243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.186243 (E_RNA) where: Base-Base interactions energy: -568.377 where: short stacking energy: -299.180 Base-Backbone interact. energy: 2.914 local terms energy: -470.723428 where: bonds (distance) C4'-P energy: -133.158 bonds (distance) P-C4' energy: -128.537 flat angles C4'-P-C4' energy: -129.592 flat angles P-C4'-P energy: -69.581 tors. eta vs tors. theta energy: -9.855 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: 1, replica: 7 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -2873.680509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.680509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.680509 (E_RNA) where: Base-Base interactions energy: -1992.990 where: short stacking energy: -861.322 Base-Backbone interact. energy: -2.437 local terms energy: -878.253596 where: bonds (distance) C4'-P energy: -148.277 bonds (distance) P-C4' energy: -163.689 flat angles C4'-P-C4' energy: -193.071 flat angles P-C4'-P energy: -124.847 tors. eta vs tors. theta energy: -248.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -2845.904223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.904223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.904223 (E_RNA) where: Base-Base interactions energy: -2022.222 where: short stacking energy: -837.811 Base-Backbone interact. energy: -3.276 local terms energy: -820.406599 where: bonds (distance) C4'-P energy: -138.316 bonds (distance) P-C4' energy: -147.596 flat angles C4'-P-C4' energy: -185.172 flat angles P-C4'-P energy: -110.529 tors. eta vs tors. theta energy: -238.793 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: 3, replica: 10 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2763.905057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.905057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.905057 (E_RNA) where: Base-Base interactions energy: -1962.384 where: short stacking energy: -801.702 Base-Backbone interact. energy: -1.805 local terms energy: -799.715499 where: bonds (distance) C4'-P energy: -146.784 bonds (distance) P-C4' energy: -151.730 flat angles C4'-P-C4' energy: -173.425 flat angles P-C4'-P energy: -107.354 tors. eta vs tors. theta energy: -220.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -2571.972054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.972054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.972054 (E_RNA) where: Base-Base interactions energy: -1799.849 where: short stacking energy: -800.165 Base-Backbone interact. energy: -7.046 local terms energy: -765.077115 where: bonds (distance) C4'-P energy: -121.919 bonds (distance) P-C4' energy: -139.197 flat angles C4'-P-C4' energy: -172.913 flat angles P-C4'-P energy: -108.378 tors. eta vs tors. theta energy: -222.670 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: 4 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -2455.074259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.074259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.074259 (E_RNA) where: Base-Base interactions energy: -1674.673 where: short stacking energy: -723.605 Base-Backbone interact. energy: -2.674 local terms energy: -777.726814 where: bonds (distance) C4'-P energy: -144.069 bonds (distance) P-C4' energy: -168.738 flat angles C4'-P-C4' energy: -164.141 flat angles P-C4'-P energy: -101.244 tors. eta vs tors. theta energy: -199.536 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: 6, replica: 5 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -2420.675654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.675654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.675654 (E_RNA) where: Base-Base interactions energy: -1709.670 where: short stacking energy: -721.194 Base-Backbone interact. energy: -3.325 local terms energy: -707.680547 where: bonds (distance) C4'-P energy: -113.031 bonds (distance) P-C4' energy: -146.798 flat angles C4'-P-C4' energy: -157.743 flat angles P-C4'-P energy: -103.102 tors. eta vs tors. theta energy: -187.007 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: 8 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -2043.733558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.733558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.733558 (E_RNA) where: Base-Base interactions energy: -1346.892 where: short stacking energy: -592.592 Base-Backbone interact. energy: 0.700 local terms energy: -697.541850 where: bonds (distance) C4'-P energy: -148.083 bonds (distance) P-C4' energy: -147.346 flat angles C4'-P-C4' energy: -162.831 flat angles P-C4'-P energy: -92.244 tors. eta vs tors. theta energy: -147.037 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: 2 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1802.176912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.176912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.176912 (E_RNA) where: Base-Base interactions energy: -1175.249 where: short stacking energy: -493.396 Base-Backbone interact. energy: 0.009 local terms energy: -626.936405 where: bonds (distance) C4'-P energy: -130.620 bonds (distance) P-C4' energy: -136.723 flat angles C4'-P-C4' energy: -150.886 flat angles P-C4'-P energy: -96.570 tors. eta vs tors. theta energy: -112.138 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: 1 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -1301.326780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.326780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.326780 (E_RNA) where: Base-Base interactions energy: -793.725 where: short stacking energy: -393.503 Base-Backbone interact. energy: 10.058 local terms energy: -517.660444 where: bonds (distance) C4'-P energy: -113.926 bonds (distance) P-C4' energy: -137.818 flat angles C4'-P-C4' energy: -129.627 flat angles P-C4'-P energy: -68.422 tors. eta vs tors. theta energy: -67.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -964.442367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.442367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.442367 (E_RNA) where: Base-Base interactions energy: -514.117 where: short stacking energy: -300.659 Base-Backbone interact. energy: 3.383 local terms energy: -453.707534 where: bonds (distance) C4'-P energy: -118.215 bonds (distance) P-C4' energy: -134.374 flat angles C4'-P-C4' energy: -123.258 flat angles P-C4'-P energy: -66.932 tors. eta vs tors. theta energy: -10.928 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: 7 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -2873.536506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.536506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.536506 (E_RNA) where: Base-Base interactions energy: -1990.415 where: short stacking energy: -871.196 Base-Backbone interact. energy: -2.420 local terms energy: -880.700968 where: bonds (distance) C4'-P energy: -163.153 bonds (distance) P-C4' energy: -150.142 flat angles C4'-P-C4' energy: -197.216 flat angles P-C4'-P energy: -129.135 tors. eta vs tors. theta energy: -241.053 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: 2, replica: 6 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -2846.854624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.854624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.854624 (E_RNA) where: Base-Base interactions energy: -2009.002 where: short stacking energy: -848.322 Base-Backbone interact. energy: -1.121 local terms energy: -836.730793 where: bonds (distance) C4'-P energy: -139.672 bonds (distance) P-C4' energy: -147.617 flat angles C4'-P-C4' energy: -187.877 flat angles P-C4'-P energy: -123.465 tors. eta vs tors. theta energy: -238.099 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: 3, replica: 10 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2765.433031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.433031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.433031 (E_RNA) where: Base-Base interactions energy: -1949.363 where: short stacking energy: -813.048 Base-Backbone interact. energy: -5.979 local terms energy: -810.091346 where: bonds (distance) C4'-P energy: -160.183 bonds (distance) P-C4' energy: -168.020 flat angles C4'-P-C4' energy: -166.992 flat angles P-C4'-P energy: -102.545 tors. eta vs tors. theta energy: -212.352 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: 9 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -2590.396706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.396706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.396706 (E_RNA) where: Base-Base interactions energy: -1754.350 where: short stacking energy: -778.299 Base-Backbone interact. energy: -3.288 local terms energy: -832.758690 where: bonds (distance) C4'-P energy: -152.675 bonds (distance) P-C4' energy: -167.114 flat angles C4'-P-C4' energy: -170.918 flat angles P-C4'-P energy: -114.751 tors. eta vs tors. theta energy: -227.301 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: 329 Temperature: 1.100000 Total energy: -2446.687867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.687867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.687867 (E_RNA) where: Base-Base interactions energy: -1706.478 where: short stacking energy: -738.797 Base-Backbone interact. energy: 7.296 local terms energy: -747.505839 where: bonds (distance) C4'-P energy: -133.062 bonds (distance) P-C4' energy: -155.059 flat angles C4'-P-C4' energy: -164.002 flat angles P-C4'-P energy: -97.767 tors. eta vs tors. theta energy: -197.616 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: 5 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -2416.219685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.219685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.219685 (E_RNA) where: Base-Base interactions energy: -1657.672 where: short stacking energy: -696.598 Base-Backbone interact. energy: -2.994 local terms energy: -755.554257 where: bonds (distance) C4'-P energy: -136.924 bonds (distance) P-C4' energy: -151.150 flat angles C4'-P-C4' energy: -163.150 flat angles P-C4'-P energy: -108.990 tors. eta vs tors. theta energy: -195.340 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: 8 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -2026.875997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.875997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.875997 (E_RNA) where: Base-Base interactions energy: -1348.088 where: short stacking energy: -595.010 Base-Backbone interact. energy: -3.193 local terms energy: -675.595219 where: bonds (distance) C4'-P energy: -130.627 bonds (distance) P-C4' energy: -147.467 flat angles C4'-P-C4' energy: -155.869 flat angles P-C4'-P energy: -87.988 tors. eta vs tors. theta energy: -153.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1697.167988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.167988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.167988 (E_RNA) where: Base-Base interactions energy: -1095.086 where: short stacking energy: -474.624 Base-Backbone interact. energy: -4.105 local terms energy: -597.976897 where: bonds (distance) C4'-P energy: -122.645 bonds (distance) P-C4' energy: -143.074 flat angles C4'-P-C4' energy: -152.770 flat angles P-C4'-P energy: -83.107 tors. eta vs tors. theta energy: -96.381 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: 9, replica: 1 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -1265.502207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.502207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.502207 (E_RNA) where: Base-Base interactions energy: -765.533 where: short stacking energy: -398.955 Base-Backbone interact. energy: 2.366 local terms energy: -502.335188 where: bonds (distance) C4'-P energy: -119.387 bonds (distance) P-C4' energy: -114.441 flat angles C4'-P-C4' energy: -133.888 flat angles P-C4'-P energy: -56.607 tors. eta vs tors. theta energy: -78.014 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: 10, replica: 3 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -968.275161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.275161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.275161 (E_RNA) where: Base-Base interactions energy: -526.005 where: short stacking energy: -271.358 Base-Backbone interact. energy: 0.339 local terms energy: -442.608634 where: bonds (distance) C4'-P energy: -132.234 bonds (distance) P-C4' energy: -147.592 flat angles C4'-P-C4' energy: -113.513 flat angles P-C4'-P energy: -63.107 tors. eta vs tors. theta energy: 13.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -2898.371220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.371220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.371220 (E_RNA) where: Base-Base interactions energy: -2001.642 where: short stacking energy: -890.898 Base-Backbone interact. energy: -4.155 local terms energy: -892.574164 where: bonds (distance) C4'-P energy: -156.685 bonds (distance) P-C4' energy: -166.945 flat angles C4'-P-C4' energy: -187.297 flat angles P-C4'-P energy: -130.428 tors. eta vs tors. theta energy: -251.218 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: 6 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -2863.589340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.589340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.589340 (E_RNA) where: Base-Base interactions energy: -1982.263 where: short stacking energy: -842.086 Base-Backbone interact. energy: -3.712 local terms energy: -877.614211 where: bonds (distance) C4'-P energy: -147.166 bonds (distance) P-C4' energy: -169.094 flat angles C4'-P-C4' energy: -178.538 flat angles P-C4'-P energy: -130.807 tors. eta vs tors. theta energy: -252.010 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: 3, replica: 10 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2753.056918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.056918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.056918 (E_RNA) where: Base-Base interactions energy: -1949.928 where: short stacking energy: -832.255 Base-Backbone interact. energy: 3.119 local terms energy: -806.248288 where: bonds (distance) C4'-P energy: -139.490 bonds (distance) P-C4' energy: -149.902 flat angles C4'-P-C4' energy: -178.733 flat angles P-C4'-P energy: -110.991 tors. eta vs tors. theta energy: -227.133 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: 4, replica: 9 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -2596.686255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.686255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.686255 (E_RNA) where: Base-Base interactions energy: -1790.301 where: short stacking energy: -801.868 Base-Backbone interact. energy: -2.267 local terms energy: -804.118315 where: bonds (distance) C4'-P energy: -122.292 bonds (distance) P-C4' energy: -167.927 flat angles C4'-P-C4' energy: -173.156 flat angles P-C4'-P energy: -116.765 tors. eta vs tors. theta energy: -223.978 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: 5, replica: 4 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -2438.777498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.777498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.777498 (E_RNA) where: Base-Base interactions energy: -1712.448 where: short stacking energy: -721.833 Base-Backbone interact. energy: -0.444 local terms energy: -725.885794 where: bonds (distance) C4'-P energy: -129.828 bonds (distance) P-C4' energy: -137.544 flat angles C4'-P-C4' energy: -163.388 flat angles P-C4'-P energy: -110.707 tors. eta vs tors. theta energy: -184.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -2417.435418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.435418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.435418 (E_RNA) where: Base-Base interactions energy: -1699.502 where: short stacking energy: -727.886 Base-Backbone interact. energy: -1.674 local terms energy: -716.260214 where: bonds (distance) C4'-P energy: -121.842 bonds (distance) P-C4' energy: -126.102 flat angles C4'-P-C4' energy: -163.172 flat angles P-C4'-P energy: -98.635 tors. eta vs tors. theta energy: -206.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -2025.631503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.631503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.631503 (E_RNA) where: Base-Base interactions energy: -1398.299 where: short stacking energy: -587.691 Base-Backbone interact. energy: -1.983 local terms energy: -625.349162 where: bonds (distance) C4'-P energy: -113.300 bonds (distance) P-C4' energy: -129.258 flat angles C4'-P-C4' energy: -145.800 flat angles P-C4'-P energy: -83.126 tors. eta vs tors. theta energy: -153.865 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: 8, replica: 2 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1741.560906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.560906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.560906 (E_RNA) where: Base-Base interactions energy: -1148.575 where: short stacking energy: -515.623 Base-Backbone interact. energy: -1.502 local terms energy: -591.483984 where: bonds (distance) C4'-P energy: -132.158 bonds (distance) P-C4' energy: -133.594 flat angles C4'-P-C4' energy: -143.395 flat angles P-C4'-P energy: -72.756 tors. eta vs tors. theta energy: -109.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -1189.980392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.980392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.980392 (E_RNA) where: Base-Base interactions energy: -724.128 where: short stacking energy: -352.644 Base-Backbone interact. energy: 2.145 local terms energy: -467.997639 where: bonds (distance) C4'-P energy: -125.267 bonds (distance) P-C4' energy: -117.848 flat angles C4'-P-C4' energy: -127.218 flat angles P-C4'-P energy: -47.227 tors. eta vs tors. theta energy: -50.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -980.679007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.679007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.679007 (E_RNA) where: Base-Base interactions energy: -542.368 where: short stacking energy: -289.241 Base-Backbone interact. energy: 7.684 local terms energy: -445.994840 where: bonds (distance) C4'-P energy: -133.912 bonds (distance) P-C4' energy: -135.937 flat angles C4'-P-C4' energy: -100.930 flat angles P-C4'-P energy: -66.323 tors. eta vs tors. theta energy: -8.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -2891.873843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.873843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.873843 (E_RNA) where: Base-Base interactions energy: -1989.284 where: short stacking energy: -868.870 Base-Backbone interact. energy: -2.590 local terms energy: -899.998946 where: bonds (distance) C4'-P energy: -166.584 bonds (distance) P-C4' energy: -163.313 flat angles C4'-P-C4' energy: -195.727 flat angles P-C4'-P energy: -120.219 tors. eta vs tors. theta energy: -254.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -2836.686885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.686885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.686885 (E_RNA) where: Base-Base interactions energy: -2008.773 where: short stacking energy: -839.861 Base-Backbone interact. energy: -2.288 local terms energy: -825.625214 where: bonds (distance) C4'-P energy: -145.674 bonds (distance) P-C4' energy: -156.411 flat angles C4'-P-C4' energy: -180.049 flat angles P-C4'-P energy: -110.302 tors. eta vs tors. theta energy: -233.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -2773.956812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.956812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.956812 (E_RNA) where: Base-Base interactions energy: -1965.841 where: short stacking energy: -810.478 Base-Backbone interact. energy: -4.731 local terms energy: -803.385211 where: bonds (distance) C4'-P energy: -143.359 bonds (distance) P-C4' energy: -146.971 flat angles C4'-P-C4' energy: -176.983 flat angles P-C4'-P energy: -116.427 tors. eta vs tors. theta energy: -219.646 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: 9 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -2547.628016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.628016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.628016 (E_RNA) where: Base-Base interactions energy: -1784.970 where: short stacking energy: -761.672 Base-Backbone interact. energy: 0.249 local terms energy: -762.907243 where: bonds (distance) C4'-P energy: -146.366 bonds (distance) P-C4' energy: -143.875 flat angles C4'-P-C4' energy: -155.563 flat angles P-C4'-P energy: -112.435 tors. eta vs tors. theta energy: -204.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -2379.019376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.019376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.019376 (E_RNA) where: Base-Base interactions energy: -1616.273 where: short stacking energy: -688.201 Base-Backbone interact. energy: -1.393 local terms energy: -761.353635 where: bonds (distance) C4'-P energy: -143.920 bonds (distance) P-C4' energy: -153.627 flat angles C4'-P-C4' energy: -182.780 flat angles P-C4'-P energy: -106.627 tors. eta vs tors. theta energy: -174.399 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: 6, replica: 5 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -2402.585107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.585107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.585107 (E_RNA) where: Base-Base interactions energy: -1661.812 where: short stacking energy: -682.154 Base-Backbone interact. energy: -3.146 local terms energy: -737.627516 where: bonds (distance) C4'-P energy: -149.880 bonds (distance) P-C4' energy: -141.414 flat angles C4'-P-C4' energy: -151.067 flat angles P-C4'-P energy: -100.661 tors. eta vs tors. theta energy: -194.606 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: 7, replica: 8 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1994.989389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.989389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.989389 (E_RNA) where: Base-Base interactions energy: -1355.493 where: short stacking energy: -636.176 Base-Backbone interact. energy: -0.844 local terms energy: -638.651595 where: bonds (distance) C4'-P energy: -124.661 bonds (distance) P-C4' energy: -137.399 flat angles C4'-P-C4' energy: -136.364 flat angles P-C4'-P energy: -93.221 tors. eta vs tors. theta energy: -147.007 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: 2 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1708.115038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.115038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.115038 (E_RNA) where: Base-Base interactions energy: -1104.869 where: short stacking energy: -483.071 Base-Backbone interact. energy: -3.377 local terms energy: -599.868929 where: bonds (distance) C4'-P energy: -127.440 bonds (distance) P-C4' energy: -141.078 flat angles C4'-P-C4' energy: -142.154 flat angles P-C4'-P energy: -97.870 tors. eta vs tors. theta energy: -91.326 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: 9, replica: 1 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -1201.661040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.661040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.661040 (E_RNA) where: Base-Base interactions energy: -691.265 where: short stacking energy: -304.682 Base-Backbone interact. energy: -1.607 local terms energy: -508.789629 where: bonds (distance) C4'-P energy: -130.052 bonds (distance) P-C4' energy: -145.751 flat angles C4'-P-C4' energy: -138.224 flat angles P-C4'-P energy: -84.647 tors. eta vs tors. theta energy: -10.116 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: 3 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -973.672912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.672912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.672912 (E_RNA) where: Base-Base interactions energy: -523.163 where: short stacking energy: -274.940 Base-Backbone interact. energy: -2.157 local terms energy: -448.353134 where: bonds (distance) C4'-P energy: -139.179 bonds (distance) P-C4' energy: -125.108 flat angles C4'-P-C4' energy: -97.419 flat angles P-C4'-P energy: -77.208 tors. eta vs tors. theta energy: -9.440 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: 1, replica: 7 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -2881.066866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.066866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.066866 (E_RNA) where: Base-Base interactions energy: -1996.535 where: short stacking energy: -882.527 Base-Backbone interact. energy: -3.717 local terms energy: -880.815458 where: bonds (distance) C4'-P energy: -156.959 bonds (distance) P-C4' energy: -152.624 flat angles C4'-P-C4' energy: -188.812 flat angles P-C4'-P energy: -122.251 tors. eta vs tors. theta energy: -260.169 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: 2, replica: 6 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -2832.262264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.262264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.262264 (E_RNA) where: Base-Base interactions energy: -1973.127 where: short stacking energy: -821.436 Base-Backbone interact. energy: -1.241 local terms energy: -857.895182 where: bonds (distance) C4'-P energy: -149.433 bonds (distance) P-C4' energy: -161.094 flat angles C4'-P-C4' energy: -175.394 flat angles P-C4'-P energy: -123.065 tors. eta vs tors. theta energy: -248.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -2710.513118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.513118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.513118 (E_RNA) where: Base-Base interactions energy: -1933.105 where: short stacking energy: -806.429 Base-Backbone interact. energy: -8.085 local terms energy: -769.323366 where: bonds (distance) C4'-P energy: -147.875 bonds (distance) P-C4' energy: -139.529 flat angles C4'-P-C4' energy: -160.148 flat angles P-C4'-P energy: -103.307 tors. eta vs tors. theta energy: -218.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -2563.959294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.959294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.959294 (E_RNA) where: Base-Base interactions energy: -1794.419 where: short stacking energy: -793.814 Base-Backbone interact. energy: -4.802 local terms energy: -764.738260 where: bonds (distance) C4'-P energy: -125.087 bonds (distance) P-C4' energy: -150.752 flat angles C4'-P-C4' energy: -154.014 flat angles P-C4'-P energy: -111.861 tors. eta vs tors. theta energy: -223.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -2412.403359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.403359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.403359 (E_RNA) where: Base-Base interactions energy: -1675.082 where: short stacking energy: -730.991 Base-Backbone interact. energy: 0.703 local terms energy: -738.024023 where: bonds (distance) C4'-P energy: -144.457 bonds (distance) P-C4' energy: -142.732 flat angles C4'-P-C4' energy: -166.271 flat angles P-C4'-P energy: -79.326 tors. eta vs tors. theta energy: -205.239 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: 4 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -2329.710025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.710025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.710025 (E_RNA) where: Base-Base interactions energy: -1589.029 where: short stacking energy: -667.148 Base-Backbone interact. energy: -5.845 local terms energy: -734.835581 where: bonds (distance) C4'-P energy: -153.686 bonds (distance) P-C4' energy: -149.176 flat angles C4'-P-C4' energy: -142.082 flat angles P-C4'-P energy: -109.178 tors. eta vs tors. theta energy: -180.714 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: 8 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -2093.299583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.299583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.299583 (E_RNA) where: Base-Base interactions energy: -1399.406 where: short stacking energy: -643.387 Base-Backbone interact. energy: -3.316 local terms energy: -690.577421 where: bonds (distance) C4'-P energy: -131.748 bonds (distance) P-C4' energy: -133.676 flat angles C4'-P-C4' energy: -159.359 flat angles P-C4'-P energy: -95.537 tors. eta vs tors. theta energy: -170.257 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: 8, replica: 2 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1628.412729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.412729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.412729 (E_RNA) where: Base-Base interactions energy: -1059.017 where: short stacking energy: -461.525 Base-Backbone interact. energy: -1.981 local terms energy: -567.415380 where: bonds (distance) C4'-P energy: -121.039 bonds (distance) P-C4' energy: -114.219 flat angles C4'-P-C4' energy: -145.677 flat angles P-C4'-P energy: -93.977 tors. eta vs tors. theta energy: -92.503 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: 9, replica: 1 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -1218.144448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.144448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.144448 (E_RNA) where: Base-Base interactions energy: -725.418 where: short stacking energy: -364.731 Base-Backbone interact. energy: -3.300 local terms energy: -489.425788 where: bonds (distance) C4'-P energy: -127.024 bonds (distance) P-C4' energy: -123.005 flat angles C4'-P-C4' energy: -131.358 flat angles P-C4'-P energy: -75.301 tors. eta vs tors. theta energy: -32.737 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: 3 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -1023.658493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.658493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.658493 (E_RNA) where: Base-Base interactions energy: -530.323 where: short stacking energy: -306.896 Base-Backbone interact. energy: 1.935 local terms energy: -495.270501 where: bonds (distance) C4'-P energy: -136.206 bonds (distance) P-C4' energy: -137.774 flat angles C4'-P-C4' energy: -111.025 flat angles P-C4'-P energy: -78.468 tors. eta vs tors. theta energy: -31.797 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: 1, replica: 7 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -2887.582721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.582721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.582721 (E_RNA) where: Base-Base interactions energy: -1982.934 where: short stacking energy: -864.740 Base-Backbone interact. energy: -3.833 local terms energy: -900.816129 where: bonds (distance) C4'-P energy: -160.841 bonds (distance) P-C4' energy: -161.141 flat angles C4'-P-C4' energy: -193.834 flat angles P-C4'-P energy: -126.672 tors. eta vs tors. theta energy: -258.328 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: 6 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -2866.800284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.800284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.800284 (E_RNA) where: Base-Base interactions energy: -1987.015 where: short stacking energy: -859.194 Base-Backbone interact. energy: -4.132 local terms energy: -875.653220 where: bonds (distance) C4'-P energy: -151.724 bonds (distance) P-C4' energy: -160.651 flat angles C4'-P-C4' energy: -187.787 flat angles P-C4'-P energy: -118.372 tors. eta vs tors. theta energy: -257.120 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: 3, replica: 10 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -2753.868317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.868317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.868317 (E_RNA) where: Base-Base interactions energy: -1935.224 where: short stacking energy: -796.417 Base-Backbone interact. energy: -6.216 local terms energy: -812.428484 where: bonds (distance) C4'-P energy: -162.251 bonds (distance) P-C4' energy: -156.932 flat angles C4'-P-C4' energy: -169.630 flat angles P-C4'-P energy: -115.345 tors. eta vs tors. theta energy: -208.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -2544.819688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.819688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.819688 (E_RNA) where: Base-Base interactions energy: -1748.433 where: short stacking energy: -766.526 Base-Backbone interact. energy: -0.940 local terms energy: -795.447058 where: bonds (distance) C4'-P energy: -155.832 bonds (distance) P-C4' energy: -161.941 flat angles C4'-P-C4' energy: -169.686 flat angles P-C4'-P energy: -104.133 tors. eta vs tors. theta energy: -203.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -2448.193009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.193009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.193009 (E_RNA) where: Base-Base interactions energy: -1686.491 where: short stacking energy: -718.956 Base-Backbone interact. energy: 1.056 local terms energy: -762.758241 where: bonds (distance) C4'-P energy: -156.515 bonds (distance) P-C4' energy: -135.811 flat angles C4'-P-C4' energy: -171.351 flat angles P-C4'-P energy: -96.093 tors. eta vs tors. theta energy: -202.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -2307.729306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.729306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.729306 (E_RNA) where: Base-Base interactions energy: -1570.029 where: short stacking energy: -682.587 Base-Backbone interact. energy: -7.264 local terms energy: -730.436476 where: bonds (distance) C4'-P energy: -137.070 bonds (distance) P-C4' energy: -142.665 flat angles C4'-P-C4' energy: -160.319 flat angles P-C4'-P energy: -124.173 tors. eta vs tors. theta energy: -166.209 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: 7, replica: 8 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -2070.263289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.263289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.263289 (E_RNA) where: Base-Base interactions energy: -1365.512 where: short stacking energy: -597.086 Base-Backbone interact. energy: -2.737 local terms energy: -702.014591 where: bonds (distance) C4'-P energy: -157.599 bonds (distance) P-C4' energy: -147.116 flat angles C4'-P-C4' energy: -142.160 flat angles P-C4'-P energy: -98.925 tors. eta vs tors. theta energy: -156.214 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: 2 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1634.884165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.884165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.884165 (E_RNA) where: Base-Base interactions energy: -1089.518 where: short stacking energy: -508.374 Base-Backbone interact. energy: -3.893 local terms energy: -541.472740 where: bonds (distance) C4'-P energy: -116.751 bonds (distance) P-C4' energy: -108.320 flat angles C4'-P-C4' energy: -137.045 flat angles P-C4'-P energy: -80.495 tors. eta vs tors. theta energy: -98.863 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: 9, replica: 1 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -1203.428393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.428393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.428393 (E_RNA) where: Base-Base interactions energy: -741.933 where: short stacking energy: -365.410 Base-Backbone interact. energy: -1.411 local terms energy: -460.085059 where: bonds (distance) C4'-P energy: -116.704 bonds (distance) P-C4' energy: -113.324 flat angles C4'-P-C4' energy: -126.153 flat angles P-C4'-P energy: -60.841 tors. eta vs tors. theta energy: -43.062 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: 3 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -1081.030427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.030427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.030427 (E_RNA) where: Base-Base interactions energy: -613.133 where: short stacking energy: -325.657 Base-Backbone interact. energy: 2.734 local terms energy: -470.631907 where: bonds (distance) C4'-P energy: -112.227 bonds (distance) P-C4' energy: -127.765 flat angles C4'-P-C4' energy: -121.175 flat angles P-C4'-P energy: -81.506 tors. eta vs tors. theta energy: -27.959 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: 1, replica: 6 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -2899.341638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.341638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.341638 (E_RNA) where: Base-Base interactions energy: -2030.201 where: short stacking energy: -841.212 Base-Backbone interact. energy: -2.163 local terms energy: -866.977484 where: bonds (distance) C4'-P energy: -165.553 bonds (distance) P-C4' energy: -167.933 flat angles C4'-P-C4' energy: -179.977 flat angles P-C4'-P energy: -112.995 tors. eta vs tors. theta energy: -240.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -2834.015618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.015618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.015618 (E_RNA) where: Base-Base interactions energy: -1969.794 where: short stacking energy: -898.721 Base-Backbone interact. energy: -2.363 local terms energy: -861.857843 where: bonds (distance) C4'-P energy: -153.277 bonds (distance) P-C4' energy: -144.213 flat angles C4'-P-C4' energy: -185.222 flat angles P-C4'-P energy: -127.070 tors. eta vs tors. theta energy: -252.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2743.290498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.290498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.290498 (E_RNA) where: Base-Base interactions energy: -1904.725 where: short stacking energy: -801.731 Base-Backbone interact. energy: -4.345 local terms energy: -834.220681 where: bonds (distance) C4'-P energy: -145.131 bonds (distance) P-C4' energy: -169.912 flat angles C4'-P-C4' energy: -174.886 flat angles P-C4'-P energy: -115.898 tors. eta vs tors. theta energy: -228.395 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: 4, replica: 9 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -2544.620283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.620283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.620283 (E_RNA) where: Base-Base interactions energy: -1752.612 where: short stacking energy: -743.806 Base-Backbone interact. energy: -2.513 local terms energy: -789.495242 where: bonds (distance) C4'-P energy: -151.554 bonds (distance) P-C4' energy: -155.835 flat angles C4'-P-C4' energy: -168.852 flat angles P-C4'-P energy: -105.975 tors. eta vs tors. theta energy: -207.279 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: 5 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -2445.612732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.612732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.612732 (E_RNA) where: Base-Base interactions energy: -1701.976 where: short stacking energy: -724.851 Base-Backbone interact. energy: 5.939 local terms energy: -749.575454 where: bonds (distance) C4'-P energy: -131.592 bonds (distance) P-C4' energy: -155.748 flat angles C4'-P-C4' energy: -149.666 flat angles P-C4'-P energy: -111.085 tors. eta vs tors. theta energy: -201.485 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: 4 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -2272.960011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.960011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.960011 (E_RNA) where: Base-Base interactions energy: -1572.383 where: short stacking energy: -691.452 Base-Backbone interact. energy: 7.966 local terms energy: -708.542782 where: bonds (distance) C4'-P energy: -141.425 bonds (distance) P-C4' energy: -135.184 flat angles C4'-P-C4' energy: -167.255 flat angles P-C4'-P energy: -97.596 tors. eta vs tors. theta energy: -167.083 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: 8 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -2011.330397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.330397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.330397 (E_RNA) where: Base-Base interactions energy: -1358.939 where: short stacking energy: -582.416 Base-Backbone interact. energy: -3.745 local terms energy: -648.646382 where: bonds (distance) C4'-P energy: -130.804 bonds (distance) P-C4' energy: -139.530 flat angles C4'-P-C4' energy: -145.943 flat angles P-C4'-P energy: -88.855 tors. eta vs tors. theta energy: -143.514 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: 8, replica: 2 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1650.193394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.193394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.193394 (E_RNA) where: Base-Base interactions energy: -1049.304 where: short stacking energy: -459.918 Base-Backbone interact. energy: 6.046 local terms energy: -606.935223 where: bonds (distance) C4'-P energy: -138.713 bonds (distance) P-C4' energy: -136.303 flat angles C4'-P-C4' energy: -139.646 flat angles P-C4'-P energy: -94.876 tors. eta vs tors. theta energy: -97.396 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: 1 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -1177.416533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.416533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.416533 (E_RNA) where: Base-Base interactions energy: -669.377 where: short stacking energy: -326.034 Base-Backbone interact. energy: -1.914 local terms energy: -506.125673 where: bonds (distance) C4'-P energy: -137.644 bonds (distance) P-C4' energy: -127.557 flat angles C4'-P-C4' energy: -136.523 flat angles P-C4'-P energy: -81.743 tors. eta vs tors. theta energy: -22.660 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: 10, replica: 3 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -1082.280815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.280815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.280815 (E_RNA) where: Base-Base interactions energy: -613.984 where: short stacking energy: -300.961 Base-Backbone interact. energy: -0.261 local terms energy: -468.035825 where: bonds (distance) C4'-P energy: -115.229 bonds (distance) P-C4' energy: -141.553 flat angles C4'-P-C4' energy: -117.356 flat angles P-C4'-P energy: -73.808 tors. eta vs tors. theta energy: -20.090 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: 1, replica: 6 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -2911.693610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.693610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.693610 (E_RNA) where: Base-Base interactions energy: -2029.963 where: short stacking energy: -869.867 Base-Backbone interact. energy: -1.629 local terms energy: -880.101818 where: bonds (distance) C4'-P energy: -157.790 bonds (distance) P-C4' energy: -160.470 flat angles C4'-P-C4' energy: -175.560 flat angles P-C4'-P energy: -125.971 tors. eta vs tors. theta energy: -260.312 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: 7 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2825.933895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.933895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.933895 (E_RNA) where: Base-Base interactions energy: -1947.497 where: short stacking energy: -862.214 Base-Backbone interact. energy: 0.111 local terms energy: -878.548068 where: bonds (distance) C4'-P energy: -147.959 bonds (distance) P-C4' energy: -164.216 flat angles C4'-P-C4' energy: -192.122 flat angles P-C4'-P energy: -118.263 tors. eta vs tors. theta energy: -255.988 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: 10 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2743.443451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.443451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.443451 (E_RNA) where: Base-Base interactions energy: -1914.214 where: short stacking energy: -773.032 Base-Backbone interact. energy: -3.081 local terms energy: -826.149195 where: bonds (distance) C4'-P energy: -158.173 bonds (distance) P-C4' energy: -162.993 flat angles C4'-P-C4' energy: -184.933 flat angles P-C4'-P energy: -111.170 tors. eta vs tors. theta energy: -208.881 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: 9 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -2562.848984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.848984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.848984 (E_RNA) where: Base-Base interactions energy: -1765.632 where: short stacking energy: -781.991 Base-Backbone interact. energy: -0.643 local terms energy: -796.573609 where: bonds (distance) C4'-P energy: -141.095 bonds (distance) P-C4' energy: -163.555 flat angles C4'-P-C4' energy: -160.264 flat angles P-C4'-P energy: -112.659 tors. eta vs tors. theta energy: -219.001 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: 5, replica: 5 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -2474.278621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.278621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.278621 (E_RNA) where: Base-Base interactions energy: -1686.393 where: short stacking energy: -702.614 Base-Backbone interact. energy: -2.954 local terms energy: -784.931220 where: bonds (distance) C4'-P energy: -136.933 bonds (distance) P-C4' energy: -152.988 flat angles C4'-P-C4' energy: -164.912 flat angles P-C4'-P energy: -124.328 tors. eta vs tors. theta energy: -205.769 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: 6, replica: 4 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -2349.411669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.411669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.411669 (E_RNA) where: Base-Base interactions energy: -1607.363 where: short stacking energy: -712.300 Base-Backbone interact. energy: 0.116 local terms energy: -742.164724 where: bonds (distance) C4'-P energy: -139.477 bonds (distance) P-C4' energy: -140.256 flat angles C4'-P-C4' energy: -173.411 flat angles P-C4'-P energy: -106.719 tors. eta vs tors. theta energy: -182.302 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: 7, replica: 8 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1998.278420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.278420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.278420 (E_RNA) where: Base-Base interactions energy: -1335.600 where: short stacking energy: -597.900 Base-Backbone interact. energy: -2.601 local terms energy: -660.076968 where: bonds (distance) C4'-P energy: -141.362 bonds (distance) P-C4' energy: -121.117 flat angles C4'-P-C4' energy: -137.547 flat angles P-C4'-P energy: -102.855 tors. eta vs tors. theta energy: -157.196 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: 8, replica: 2 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1625.707601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.707601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.707601 (E_RNA) where: Base-Base interactions energy: -1034.981 where: short stacking energy: -456.092 Base-Backbone interact. energy: 2.463 local terms energy: -593.189573 where: bonds (distance) C4'-P energy: -137.532 bonds (distance) P-C4' energy: -129.802 flat angles C4'-P-C4' energy: -145.569 flat angles P-C4'-P energy: -93.075 tors. eta vs tors. theta energy: -87.211 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: 1 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -1182.162256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.162256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.162256 (E_RNA) where: Base-Base interactions energy: -721.332 where: short stacking energy: -341.670 Base-Backbone interact. energy: -0.918 local terms energy: -459.912217 where: bonds (distance) C4'-P energy: -126.851 bonds (distance) P-C4' energy: -133.355 flat angles C4'-P-C4' energy: -121.714 flat angles P-C4'-P energy: -69.614 tors. eta vs tors. theta energy: -8.378 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: 3 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -991.294139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.294139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.294139 (E_RNA) where: Base-Base interactions energy: -573.285 where: short stacking energy: -313.398 Base-Backbone interact. energy: 14.218 local terms energy: -432.226522 where: bonds (distance) C4'-P energy: -123.658 bonds (distance) P-C4' energy: -116.176 flat angles C4'-P-C4' energy: -115.020 flat angles P-C4'-P energy: -53.960 tors. eta vs tors. theta energy: -23.414 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: 6 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -2907.606594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.606594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.606594 (E_RNA) where: Base-Base interactions energy: -2014.686 where: short stacking energy: -835.627 Base-Backbone interact. energy: -0.405 local terms energy: -892.516312 where: bonds (distance) C4'-P energy: -167.652 bonds (distance) P-C4' energy: -150.237 flat angles C4'-P-C4' energy: -189.620 flat angles P-C4'-P energy: -124.901 tors. eta vs tors. theta energy: -260.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -2826.180009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.180009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.180009 (E_RNA) where: Base-Base interactions energy: -1932.518 where: short stacking energy: -848.132 Base-Backbone interact. energy: 4.292 local terms energy: -897.953853 where: bonds (distance) C4'-P energy: -164.337 bonds (distance) P-C4' energy: -160.251 flat angles C4'-P-C4' energy: -179.922 flat angles P-C4'-P energy: -130.873 tors. eta vs tors. theta energy: -262.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2735.785547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.785547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.785547 (E_RNA) where: Base-Base interactions energy: -1934.525 where: short stacking energy: -814.723 Base-Backbone interact. energy: -2.056 local terms energy: -799.204876 where: bonds (distance) C4'-P energy: -141.031 bonds (distance) P-C4' energy: -153.386 flat angles C4'-P-C4' energy: -177.039 flat angles P-C4'-P energy: -117.914 tors. eta vs tors. theta energy: -209.834 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: 9 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -2566.530585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.530585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.530585 (E_RNA) where: Base-Base interactions energy: -1783.649 where: short stacking energy: -774.784 Base-Backbone interact. energy: -1.155 local terms energy: -781.726743 where: bonds (distance) C4'-P energy: -147.479 bonds (distance) P-C4' energy: -143.626 flat angles C4'-P-C4' energy: -158.744 flat angles P-C4'-P energy: -114.845 tors. eta vs tors. theta energy: -217.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -2460.148977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.148977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.148977 (E_RNA) where: Base-Base interactions energy: -1681.955 where: short stacking energy: -681.447 Base-Backbone interact. energy: 1.663 local terms energy: -779.856935 where: bonds (distance) C4'-P energy: -139.160 bonds (distance) P-C4' energy: -155.012 flat angles C4'-P-C4' energy: -169.200 flat angles P-C4'-P energy: -115.106 tors. eta vs tors. theta energy: -201.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -2267.153439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.153439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.153439 (E_RNA) where: Base-Base interactions energy: -1564.171 where: short stacking energy: -637.722 Base-Backbone interact. energy: 0.969 local terms energy: -703.951367 where: bonds (distance) C4'-P energy: -117.795 bonds (distance) P-C4' energy: -145.642 flat angles C4'-P-C4' energy: -155.759 flat angles P-C4'-P energy: -103.786 tors. eta vs tors. theta energy: -180.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -2000.786949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.786949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.786949 (E_RNA) where: Base-Base interactions energy: -1369.366 where: short stacking energy: -615.816 Base-Backbone interact. energy: -3.988 local terms energy: -627.433206 where: bonds (distance) C4'-P energy: -104.851 bonds (distance) P-C4' energy: -136.825 flat angles C4'-P-C4' energy: -145.721 flat angles P-C4'-P energy: -90.540 tors. eta vs tors. theta energy: -149.496 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: 8, replica: 2 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1668.640757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.640757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.640757 (E_RNA) where: Base-Base interactions energy: -1072.176 where: short stacking energy: -490.735 Base-Backbone interact. energy: -2.702 local terms energy: -593.762283 where: bonds (distance) C4'-P energy: -144.198 bonds (distance) P-C4' energy: -125.011 flat angles C4'-P-C4' energy: -135.173 flat angles P-C4'-P energy: -69.331 tors. eta vs tors. theta energy: -120.049 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: 9, replica: 1 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -1275.067056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.067056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.067056 (E_RNA) where: Base-Base interactions energy: -773.012 where: short stacking energy: -373.347 Base-Backbone interact. energy: -2.839 local terms energy: -499.216260 where: bonds (distance) C4'-P energy: -128.713 bonds (distance) P-C4' energy: -137.284 flat angles C4'-P-C4' energy: -117.834 flat angles P-C4'-P energy: -74.714 tors. eta vs tors. theta energy: -40.670 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: 3 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -928.496619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.496619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.496619 (E_RNA) where: Base-Base interactions energy: -492.674 where: short stacking energy: -264.573 Base-Backbone interact. energy: -2.685 local terms energy: -433.137171 where: bonds (distance) C4'-P energy: -110.671 bonds (distance) P-C4' energy: -135.444 flat angles C4'-P-C4' energy: -98.074 flat angles P-C4'-P energy: -71.210 tors. eta vs tors. theta energy: -17.739 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: 1, replica: 6 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -2916.236575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.236575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.236575 (E_RNA) where: Base-Base interactions energy: -2011.933 where: short stacking energy: -879.351 Base-Backbone interact. energy: -4.192 local terms energy: -900.111621 where: bonds (distance) C4'-P energy: -160.797 bonds (distance) P-C4' energy: -166.690 flat angles C4'-P-C4' energy: -177.423 flat angles P-C4'-P energy: -137.877 tors. eta vs tors. theta energy: -257.324 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: 7 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -2802.011182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.011182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.011182 (E_RNA) where: Base-Base interactions energy: -1908.106 where: short stacking energy: -854.182 Base-Backbone interact. energy: -4.368 local terms energy: -889.537381 where: bonds (distance) C4'-P energy: -151.098 bonds (distance) P-C4' energy: -164.915 flat angles C4'-P-C4' energy: -187.534 flat angles P-C4'-P energy: -126.738 tors. eta vs tors. theta energy: -259.252 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: 10 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2736.639208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.639208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.639208 (E_RNA) where: Base-Base interactions energy: -1919.521 where: short stacking energy: -796.300 Base-Backbone interact. energy: -3.943 local terms energy: -813.174463 where: bonds (distance) C4'-P energy: -140.423 bonds (distance) P-C4' energy: -160.921 flat angles C4'-P-C4' energy: -179.135 flat angles P-C4'-P energy: -116.600 tors. eta vs tors. theta energy: -216.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -2571.807173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.807173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.807173 (E_RNA) where: Base-Base interactions energy: -1770.605 where: short stacking energy: -777.387 Base-Backbone interact. energy: -1.127 local terms energy: -800.074938 where: bonds (distance) C4'-P energy: -142.476 bonds (distance) P-C4' energy: -165.138 flat angles C4'-P-C4' energy: -176.191 flat angles P-C4'-P energy: -113.250 tors. eta vs tors. theta energy: -203.020 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: 5 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -2502.625371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.625371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.625371 (E_RNA) where: Base-Base interactions energy: -1743.837 where: short stacking energy: -753.437 Base-Backbone interact. energy: -2.209 local terms energy: -756.579623 where: bonds (distance) C4'-P energy: -151.743 bonds (distance) P-C4' energy: -133.237 flat angles C4'-P-C4' energy: -155.833 flat angles P-C4'-P energy: -109.820 tors. eta vs tors. theta energy: -205.947 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: 4 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -2325.188260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.188260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.188260 (E_RNA) where: Base-Base interactions energy: -1625.152 where: short stacking energy: -685.838 Base-Backbone interact. energy: -1.685 local terms energy: -698.351536 where: bonds (distance) C4'-P energy: -127.459 bonds (distance) P-C4' energy: -135.728 flat angles C4'-P-C4' energy: -172.288 flat angles P-C4'-P energy: -84.073 tors. eta vs tors. theta energy: -178.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -2023.341624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.341624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.341624 (E_RNA) where: Base-Base interactions energy: -1355.111 where: short stacking energy: -557.769 Base-Backbone interact. energy: -0.346 local terms energy: -667.884431 where: bonds (distance) C4'-P energy: -139.541 bonds (distance) P-C4' energy: -136.163 flat angles C4'-P-C4' energy: -158.410 flat angles P-C4'-P energy: -89.842 tors. eta vs tors. theta energy: -143.928 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: 2 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1612.701366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.701366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.701366 (E_RNA) where: Base-Base interactions energy: -1040.483 where: short stacking energy: -463.667 Base-Backbone interact. energy: 0.567 local terms energy: -572.785075 where: bonds (distance) C4'-P energy: -137.987 bonds (distance) P-C4' energy: -110.453 flat angles C4'-P-C4' energy: -151.383 flat angles P-C4'-P energy: -71.828 tors. eta vs tors. theta energy: -101.134 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: 9, replica: 1 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -1186.085881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.085881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.085881 (E_RNA) where: Base-Base interactions energy: -708.864 where: short stacking energy: -350.610 Base-Backbone interact. energy: 5.257 local terms energy: -482.479542 where: bonds (distance) C4'-P energy: -127.529 bonds (distance) P-C4' energy: -140.137 flat angles C4'-P-C4' energy: -89.450 flat angles P-C4'-P energy: -84.465 tors. eta vs tors. theta energy: -40.898 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: 10, replica: 3 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -1027.639129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.639129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.639129 (E_RNA) where: Base-Base interactions energy: -589.310 where: short stacking energy: -324.535 Base-Backbone interact. energy: 6.302 local terms energy: -444.630691 where: bonds (distance) C4'-P energy: -120.851 bonds (distance) P-C4' energy: -117.568 flat angles C4'-P-C4' energy: -107.555 flat angles P-C4'-P energy: -75.359 tors. eta vs tors. theta energy: -23.297 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: 6 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -2922.971731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.971731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.971731 (E_RNA) where: Base-Base interactions energy: -1991.669 where: short stacking energy: -855.277 Base-Backbone interact. energy: -4.103 local terms energy: -927.199962 where: bonds (distance) C4'-P energy: -169.125 bonds (distance) P-C4' energy: -159.455 flat angles C4'-P-C4' energy: -193.731 flat angles P-C4'-P energy: -133.435 tors. eta vs tors. theta energy: -271.454 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: 2, replica: 7 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -2812.614778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.614778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.614778 (E_RNA) where: Base-Base interactions energy: -1953.291 where: short stacking energy: -862.236 Base-Backbone interact. energy: -4.006 local terms energy: -855.318212 where: bonds (distance) C4'-P energy: -148.937 bonds (distance) P-C4' energy: -164.541 flat angles C4'-P-C4' energy: -175.529 flat angles P-C4'-P energy: -122.691 tors. eta vs tors. theta energy: -243.621 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: 10 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -2792.843078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.843078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.843078 (E_RNA) where: Base-Base interactions energy: -1991.103 where: short stacking energy: -825.426 Base-Backbone interact. energy: -7.138 local terms energy: -794.601846 where: bonds (distance) C4'-P energy: -137.657 bonds (distance) P-C4' energy: -160.293 flat angles C4'-P-C4' energy: -176.750 flat angles P-C4'-P energy: -112.313 tors. eta vs tors. theta energy: -207.589 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: 4, replica: 9 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -2586.088901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.088901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.088901 (E_RNA) where: Base-Base interactions energy: -1810.216 where: short stacking energy: -789.945 Base-Backbone interact. energy: -0.868 local terms energy: -775.005403 where: bonds (distance) C4'-P energy: -145.922 bonds (distance) P-C4' energy: -160.797 flat angles C4'-P-C4' energy: -148.082 flat angles P-C4'-P energy: -107.467 tors. eta vs tors. theta energy: -212.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -2491.857250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.857250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.857250 (E_RNA) where: Base-Base interactions energy: -1736.635 where: short stacking energy: -736.000 Base-Backbone interact. energy: -4.265 local terms energy: -750.957595 where: bonds (distance) C4'-P energy: -143.480 bonds (distance) P-C4' energy: -142.321 flat angles C4'-P-C4' energy: -152.757 flat angles P-C4'-P energy: -99.808 tors. eta vs tors. theta energy: -212.592 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: 6, replica: 4 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -2339.040759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.040759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.040759 (E_RNA) where: Base-Base interactions energy: -1611.797 where: short stacking energy: -682.553 Base-Backbone interact. energy: -3.852 local terms energy: -723.391896 where: bonds (distance) C4'-P energy: -147.857 bonds (distance) P-C4' energy: -131.760 flat angles C4'-P-C4' energy: -161.245 flat angles P-C4'-P energy: -95.656 tors. eta vs tors. theta energy: -186.874 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: 8 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -2124.598393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.598393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.598393 (E_RNA) where: Base-Base interactions energy: -1461.005 where: short stacking energy: -635.800 Base-Backbone interact. energy: -0.582 local terms energy: -663.011559 where: bonds (distance) C4'-P energy: -135.477 bonds (distance) P-C4' energy: -130.910 flat angles C4'-P-C4' energy: -160.458 flat angles P-C4'-P energy: -67.710 tors. eta vs tors. theta energy: -168.456 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: 8, replica: 2 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1617.290623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.290623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.290623 (E_RNA) where: Base-Base interactions energy: -1047.049 where: short stacking energy: -469.096 Base-Backbone interact. energy: -2.912 local terms energy: -567.329904 where: bonds (distance) C4'-P energy: -143.478 bonds (distance) P-C4' energy: -120.515 flat angles C4'-P-C4' energy: -122.269 flat angles P-C4'-P energy: -88.231 tors. eta vs tors. theta energy: -92.837 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: 1 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -1222.004806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.004806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.004806 (E_RNA) where: Base-Base interactions energy: -721.388 where: short stacking energy: -366.007 Base-Backbone interact. energy: 0.060 local terms energy: -500.676730 where: bonds (distance) C4'-P energy: -132.776 bonds (distance) P-C4' energy: -133.551 flat angles C4'-P-C4' energy: -121.602 flat angles P-C4'-P energy: -86.257 tors. eta vs tors. theta energy: -26.491 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: 3 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -969.784969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.784969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.784969 (E_RNA) where: Base-Base interactions energy: -535.604 where: short stacking energy: -277.986 Base-Backbone interact. energy: 0.548 local terms energy: -434.729396 where: bonds (distance) C4'-P energy: -142.071 bonds (distance) P-C4' energy: -134.088 flat angles C4'-P-C4' energy: -88.450 flat angles P-C4'-P energy: -50.804 tors. eta vs tors. theta energy: -19.316 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: 6 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -2909.734471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.734471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.734471 (E_RNA) where: Base-Base interactions energy: -2048.092 where: short stacking energy: -852.887 Base-Backbone interact. energy: -1.373 local terms energy: -860.269479 where: bonds (distance) C4'-P energy: -152.904 bonds (distance) P-C4' energy: -160.563 flat angles C4'-P-C4' energy: -176.458 flat angles P-C4'-P energy: -127.603 tors. eta vs tors. theta energy: -242.741 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: 2, replica: 7 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -2821.127830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.127830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.127830 (E_RNA) where: Base-Base interactions energy: -1962.823 where: short stacking energy: -864.541 Base-Backbone interact. energy: -5.068 local terms energy: -853.235972 where: bonds (distance) C4'-P energy: -139.521 bonds (distance) P-C4' energy: -150.057 flat angles C4'-P-C4' energy: -188.677 flat angles P-C4'-P energy: -131.535 tors. eta vs tors. theta energy: -243.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2766.321334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.321334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.321334 (E_RNA) where: Base-Base interactions energy: -1960.392 where: short stacking energy: -812.377 Base-Backbone interact. energy: 0.740 local terms energy: -806.669696 where: bonds (distance) C4'-P energy: -135.641 bonds (distance) P-C4' energy: -151.218 flat angles C4'-P-C4' energy: -170.848 flat angles P-C4'-P energy: -125.271 tors. eta vs tors. theta energy: -223.692 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: 4, replica: 9 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -2585.408164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.408164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.408164 (E_RNA) where: Base-Base interactions energy: -1794.559 where: short stacking energy: -768.056 Base-Backbone interact. energy: 2.467 local terms energy: -793.316681 where: bonds (distance) C4'-P energy: -152.671 bonds (distance) P-C4' energy: -133.638 flat angles C4'-P-C4' energy: -171.451 flat angles P-C4'-P energy: -133.855 tors. eta vs tors. theta energy: -201.701 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: 5 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -2498.926704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.926704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.926704 (E_RNA) where: Base-Base interactions energy: -1696.594 where: short stacking energy: -715.250 Base-Backbone interact. energy: 0.145 local terms energy: -802.477232 where: bonds (distance) C4'-P energy: -143.232 bonds (distance) P-C4' energy: -161.903 flat angles C4'-P-C4' energy: -165.712 flat angles P-C4'-P energy: -119.567 tors. eta vs tors. theta energy: -212.063 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: 6, replica: 4 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -2336.667451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.667451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.667451 (E_RNA) where: Base-Base interactions energy: -1613.560 where: short stacking energy: -653.709 Base-Backbone interact. energy: -2.730 local terms energy: -720.378150 where: bonds (distance) C4'-P energy: -129.505 bonds (distance) P-C4' energy: -130.798 flat angles C4'-P-C4' energy: -161.098 flat angles P-C4'-P energy: -111.783 tors. eta vs tors. theta energy: -187.195 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: 8 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -2080.619473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.619473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.619473 (E_RNA) where: Base-Base interactions energy: -1430.166 where: short stacking energy: -627.489 Base-Backbone interact. energy: 0.912 local terms energy: -651.365894 where: bonds (distance) C4'-P energy: -104.264 bonds (distance) P-C4' energy: -144.877 flat angles C4'-P-C4' energy: -158.188 flat angles P-C4'-P energy: -95.464 tors. eta vs tors. theta energy: -148.572 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: 8, replica: 2 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1721.294573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.294573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.294573 (E_RNA) where: Base-Base interactions energy: -1120.956 where: short stacking energy: -503.039 Base-Backbone interact. energy: -1.060 local terms energy: -599.278847 where: bonds (distance) C4'-P energy: -141.877 bonds (distance) P-C4' energy: -151.986 flat angles C4'-P-C4' energy: -131.329 flat angles P-C4'-P energy: -71.657 tors. eta vs tors. theta energy: -102.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -1137.334349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.334349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.334349 (E_RNA) where: Base-Base interactions energy: -642.449 where: short stacking energy: -327.148 Base-Backbone interact. energy: -1.043 local terms energy: -493.842881 where: bonds (distance) C4'-P energy: -119.821 bonds (distance) P-C4' energy: -139.537 flat angles C4'-P-C4' energy: -126.536 flat angles P-C4'-P energy: -77.963 tors. eta vs tors. theta energy: -29.986 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: 3 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -1010.643604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.643604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.643604 (E_RNA) where: Base-Base interactions energy: -558.790 where: short stacking energy: -304.295 Base-Backbone interact. energy: -1.813 local terms energy: -450.041032 where: bonds (distance) C4'-P energy: -111.718 bonds (distance) P-C4' energy: -126.255 flat angles C4'-P-C4' energy: -129.149 flat angles P-C4'-P energy: -68.180 tors. eta vs tors. theta energy: -14.739 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: 1, replica: 6 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -2952.608226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.608226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.608226 (E_RNA) where: Base-Base interactions energy: -2073.563 where: short stacking energy: -875.170 Base-Backbone interact. energy: -2.203 local terms energy: -876.842498 where: bonds (distance) C4'-P energy: -166.165 bonds (distance) P-C4' energy: -156.913 flat angles C4'-P-C4' energy: -177.526 flat angles P-C4'-P energy: -121.293 tors. eta vs tors. theta energy: -254.946 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: 2, replica: 7 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -2775.399115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.399115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.399115 (E_RNA) where: Base-Base interactions energy: -1939.764 where: short stacking energy: -838.900 Base-Backbone interact. energy: 0.535 local terms energy: -836.169729 where: bonds (distance) C4'-P energy: -146.014 bonds (distance) P-C4' energy: -164.363 flat angles C4'-P-C4' energy: -174.261 flat angles P-C4'-P energy: -113.896 tors. eta vs tors. theta energy: -237.635 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: 10 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2791.668626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.668626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.668626 (E_RNA) where: Base-Base interactions energy: -1957.803 where: short stacking energy: -810.310 Base-Backbone interact. energy: -6.678 local terms energy: -827.187315 where: bonds (distance) C4'-P energy: -160.281 bonds (distance) P-C4' energy: -137.849 flat angles C4'-P-C4' energy: -180.199 flat angles P-C4'-P energy: -124.593 tors. eta vs tors. theta energy: -224.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -2606.437249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.437249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.437249 (E_RNA) where: Base-Base interactions energy: -1839.744 where: short stacking energy: -779.433 Base-Backbone interact. energy: 2.957 local terms energy: -769.650292 where: bonds (distance) C4'-P energy: -143.546 bonds (distance) P-C4' energy: -138.708 flat angles C4'-P-C4' energy: -167.865 flat angles P-C4'-P energy: -115.677 tors. eta vs tors. theta energy: -203.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -2460.283376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.283376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.283376 (E_RNA) where: Base-Base interactions energy: -1698.809 where: short stacking energy: -709.653 Base-Backbone interact. energy: -1.791 local terms energy: -759.682531 where: bonds (distance) C4'-P energy: -140.558 bonds (distance) P-C4' energy: -141.455 flat angles C4'-P-C4' energy: -172.746 flat angles P-C4'-P energy: -108.451 tors. eta vs tors. theta energy: -196.472 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: 340 Temperature: 1.150000 Total energy: -2304.891876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.891876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.891876 (E_RNA) where: Base-Base interactions energy: -1603.401 where: short stacking energy: -714.443 Base-Backbone interact. energy: -3.151 local terms energy: -698.340111 where: bonds (distance) C4'-P energy: -131.442 bonds (distance) P-C4' energy: -137.366 flat angles C4'-P-C4' energy: -139.997 flat angles P-C4'-P energy: -108.671 tors. eta vs tors. theta energy: -180.864 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: 8 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -2074.951295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.951295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.951295 (E_RNA) where: Base-Base interactions energy: -1416.558 where: short stacking energy: -605.568 Base-Backbone interact. energy: -2.894 local terms energy: -655.499423 where: bonds (distance) C4'-P energy: -126.319 bonds (distance) P-C4' energy: -101.186 flat angles C4'-P-C4' energy: -160.867 flat angles P-C4'-P energy: -102.977 tors. eta vs tors. theta energy: -164.151 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: 8, replica: 2 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1638.547239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.547239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.547239 (E_RNA) where: Base-Base interactions energy: -1041.054 where: short stacking energy: -456.405 Base-Backbone interact. energy: -1.798 local terms energy: -595.695428 where: bonds (distance) C4'-P energy: -124.376 bonds (distance) P-C4' energy: -147.443 flat angles C4'-P-C4' energy: -137.818 flat angles P-C4'-P energy: -99.844 tors. eta vs tors. theta energy: -86.213 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: 1 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -1159.917263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.917263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.917263 (E_RNA) where: Base-Base interactions energy: -676.412 where: short stacking energy: -322.891 Base-Backbone interact. energy: -0.472 local terms energy: -483.032765 where: bonds (distance) C4'-P energy: -127.811 bonds (distance) P-C4' energy: -142.679 flat angles C4'-P-C4' energy: -108.109 flat angles P-C4'-P energy: -89.104 tors. eta vs tors. theta energy: -15.329 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: 10, replica: 3 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -969.664786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.664786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.664786 (E_RNA) where: Base-Base interactions energy: -514.477 where: short stacking energy: -276.433 Base-Backbone interact. energy: 0.827 local terms energy: -456.014569 where: bonds (distance) C4'-P energy: -130.410 bonds (distance) P-C4' energy: -136.800 flat angles C4'-P-C4' energy: -108.817 flat angles P-C4'-P energy: -64.878 tors. eta vs tors. theta energy: -15.111 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: 6 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -2924.378130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.378130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.378130 (E_RNA) where: Base-Base interactions energy: -2022.418 where: short stacking energy: -869.417 Base-Backbone interact. energy: -4.706 local terms energy: -897.254279 where: bonds (distance) C4'-P energy: -151.800 bonds (distance) P-C4' energy: -165.000 flat angles C4'-P-C4' energy: -187.632 flat angles P-C4'-P energy: -136.869 tors. eta vs tors. theta energy: -255.954 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: 10 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -2852.364604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.364604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.364604 (E_RNA) where: Base-Base interactions energy: -2010.699 where: short stacking energy: -825.833 Base-Backbone interact. energy: -2.718 local terms energy: -838.948459 where: bonds (distance) C4'-P energy: -147.393 bonds (distance) P-C4' energy: -160.013 flat angles C4'-P-C4' energy: -176.786 flat angles P-C4'-P energy: -131.359 tors. eta vs tors. theta energy: -223.398 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: 3, replica: 7 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2704.588720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.588720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.588720 (E_RNA) where: Base-Base interactions energy: -1846.299 where: short stacking energy: -812.688 Base-Backbone interact. energy: -1.664 local terms energy: -856.624869 where: bonds (distance) C4'-P energy: -149.618 bonds (distance) P-C4' energy: -154.364 flat angles C4'-P-C4' energy: -191.605 flat angles P-C4'-P energy: -111.603 tors. eta vs tors. theta energy: -249.436 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: 5 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -2512.477139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.477139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.477139 (E_RNA) where: Base-Base interactions energy: -1749.083 where: short stacking energy: -756.946 Base-Backbone interact. energy: -0.481 local terms energy: -762.912892 where: bonds (distance) C4'-P energy: -138.278 bonds (distance) P-C4' energy: -128.101 flat angles C4'-P-C4' energy: -176.740 flat angles P-C4'-P energy: -104.265 tors. eta vs tors. theta energy: -215.529 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: 5, replica: 9 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -2457.362854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.362854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.362854 (E_RNA) where: Base-Base interactions energy: -1709.652 where: short stacking energy: -753.035 Base-Backbone interact. energy: 8.071 local terms energy: -755.781708 where: bonds (distance) C4'-P energy: -130.130 bonds (distance) P-C4' energy: -149.127 flat angles C4'-P-C4' energy: -171.189 flat angles P-C4'-P energy: -111.295 tors. eta vs tors. theta energy: -194.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -2269.081742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.081742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.081742 (E_RNA) where: Base-Base interactions energy: -1529.212 where: short stacking energy: -652.837 Base-Backbone interact. energy: -2.202 local terms energy: -737.667786 where: bonds (distance) C4'-P energy: -136.807 bonds (distance) P-C4' energy: -161.834 flat angles C4'-P-C4' energy: -152.900 flat angles P-C4'-P energy: -105.887 tors. eta vs tors. theta energy: -180.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -2178.347674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.347674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.347674 (E_RNA) where: Base-Base interactions energy: -1465.876 where: short stacking energy: -656.762 Base-Backbone interact. energy: -2.271 local terms energy: -710.200308 where: bonds (distance) C4'-P energy: -144.883 bonds (distance) P-C4' energy: -114.273 flat angles C4'-P-C4' energy: -164.655 flat angles P-C4'-P energy: -103.907 tors. eta vs tors. theta energy: -182.483 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: 2 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1648.037472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.037472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.037472 (E_RNA) where: Base-Base interactions energy: -1036.202 where: short stacking energy: -451.210 Base-Backbone interact. energy: -3.057 local terms energy: -608.777688 where: bonds (distance) C4'-P energy: -140.106 bonds (distance) P-C4' energy: -147.283 flat angles C4'-P-C4' energy: -140.555 flat angles P-C4'-P energy: -87.619 tors. eta vs tors. theta energy: -93.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -1174.208296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.208296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.208296 (E_RNA) where: Base-Base interactions energy: -712.287 where: short stacking energy: -383.872 Base-Backbone interact. energy: 2.567 local terms energy: -464.487775 where: bonds (distance) C4'-P energy: -133.821 bonds (distance) P-C4' energy: -114.303 flat angles C4'-P-C4' energy: -112.917 flat angles P-C4'-P energy: -50.866 tors. eta vs tors. theta energy: -52.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -938.020590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.020590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.020590 (E_RNA) where: Base-Base interactions energy: -508.721 where: short stacking energy: -265.786 Base-Backbone interact. energy: 2.838 local terms energy: -432.137421 where: bonds (distance) C4'-P energy: -123.122 bonds (distance) P-C4' energy: -145.522 flat angles C4'-P-C4' energy: -120.709 flat angles P-C4'-P energy: -42.042 tors. eta vs tors. theta energy: -0.742 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: 6 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -2934.466505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.466505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.466505 (E_RNA) where: Base-Base interactions energy: -2039.560 where: short stacking energy: -873.281 Base-Backbone interact. energy: -7.074 local terms energy: -887.832820 where: bonds (distance) C4'-P energy: -161.579 bonds (distance) P-C4' energy: -167.415 flat angles C4'-P-C4' energy: -189.309 flat angles P-C4'-P energy: -117.757 tors. eta vs tors. theta energy: -251.772 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: 2, replica: 10 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -2841.581300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.581300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.581300 (E_RNA) where: Base-Base interactions energy: -1997.381 where: short stacking energy: -814.394 Base-Backbone interact. energy: -7.955 local terms energy: -836.244670 where: bonds (distance) C4'-P energy: -153.130 bonds (distance) P-C4' energy: -157.405 flat angles C4'-P-C4' energy: -188.921 flat angles P-C4'-P energy: -124.198 tors. eta vs tors. theta energy: -212.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2697.917982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.917982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.917982 (E_RNA) where: Base-Base interactions energy: -1865.385 where: short stacking energy: -825.511 Base-Backbone interact. energy: -1.099 local terms energy: -831.433938 where: bonds (distance) C4'-P energy: -167.605 bonds (distance) P-C4' energy: -161.081 flat angles C4'-P-C4' energy: -160.633 flat angles P-C4'-P energy: -104.677 tors. eta vs tors. theta energy: -237.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -2553.624450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.624450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.624450 (E_RNA) where: Base-Base interactions energy: -1767.161 where: short stacking energy: -779.729 Base-Backbone interact. energy: -0.820 local terms energy: -785.643272 where: bonds (distance) C4'-P energy: -138.314 bonds (distance) P-C4' energy: -157.312 flat angles C4'-P-C4' energy: -164.745 flat angles P-C4'-P energy: -108.774 tors. eta vs tors. theta energy: -216.499 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: 342 Temperature: 1.100000 Total energy: -2457.269803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.269803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.269803 (E_RNA) where: Base-Base interactions energy: -1695.464 where: short stacking energy: -759.362 Base-Backbone interact. energy: -4.228 local terms energy: -757.576910 where: bonds (distance) C4'-P energy: -130.565 bonds (distance) P-C4' energy: -149.242 flat angles C4'-P-C4' energy: -167.044 flat angles P-C4'-P energy: -114.403 tors. eta vs tors. theta energy: -196.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -2354.733754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.733754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.733754 (E_RNA) where: Base-Base interactions energy: -1635.646 where: short stacking energy: -692.442 Base-Backbone interact. energy: -5.429 local terms energy: -713.658569 where: bonds (distance) C4'-P energy: -140.100 bonds (distance) P-C4' energy: -141.462 flat angles C4'-P-C4' energy: -152.140 flat angles P-C4'-P energy: -94.782 tors. eta vs tors. theta energy: -185.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -2067.599511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.599511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.599511 (E_RNA) where: Base-Base interactions energy: -1412.988 where: short stacking energy: -601.135 Base-Backbone interact. energy: 0.124 local terms energy: -654.735201 where: bonds (distance) C4'-P energy: -123.513 bonds (distance) P-C4' energy: -140.786 flat angles C4'-P-C4' energy: -164.342 flat angles P-C4'-P energy: -81.046 tors. eta vs tors. theta energy: -145.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1704.729885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.729885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.729885 (E_RNA) where: Base-Base interactions energy: -1084.462 where: short stacking energy: -506.414 Base-Backbone interact. energy: -3.870 local terms energy: -616.397237 where: bonds (distance) C4'-P energy: -139.189 bonds (distance) P-C4' energy: -149.285 flat angles C4'-P-C4' energy: -132.361 flat angles P-C4'-P energy: -91.626 tors. eta vs tors. theta energy: -103.937 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: 1 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -1195.237810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.237810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.237810 (E_RNA) where: Base-Base interactions energy: -706.467 where: short stacking energy: -358.864 Base-Backbone interact. energy: -1.585 local terms energy: -487.185947 where: bonds (distance) C4'-P energy: -105.531 bonds (distance) P-C4' energy: -133.358 flat angles C4'-P-C4' energy: -125.715 flat angles P-C4'-P energy: -76.411 tors. eta vs tors. theta energy: -46.171 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: 3 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -916.665514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.665514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.665514 (E_RNA) where: Base-Base interactions energy: -485.131 where: short stacking energy: -268.291 Base-Backbone interact. energy: 3.347 local terms energy: -434.881505 where: bonds (distance) C4'-P energy: -96.746 bonds (distance) P-C4' energy: -143.741 flat angles C4'-P-C4' energy: -121.100 flat angles P-C4'-P energy: -63.353 tors. eta vs tors. theta energy: -9.942 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: 6 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -2932.289294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.289294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.289294 (E_RNA) where: Base-Base interactions energy: -2033.685 where: short stacking energy: -852.674 Base-Backbone interact. energy: -3.067 local terms energy: -895.537321 where: bonds (distance) C4'-P energy: -174.020 bonds (distance) P-C4' energy: -157.527 flat angles C4'-P-C4' energy: -183.821 flat angles P-C4'-P energy: -121.362 tors. eta vs tors. theta energy: -258.808 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: 10 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -2851.722812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.722812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.722812 (E_RNA) where: Base-Base interactions energy: -2004.390 where: short stacking energy: -822.129 Base-Backbone interact. energy: -4.236 local terms energy: -843.096520 where: bonds (distance) C4'-P energy: -158.994 bonds (distance) P-C4' energy: -159.713 flat angles C4'-P-C4' energy: -180.556 flat angles P-C4'-P energy: -124.794 tors. eta vs tors. theta energy: -219.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -2707.849446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.849446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.849446 (E_RNA) where: Base-Base interactions energy: -1900.857 where: short stacking energy: -834.144 Base-Backbone interact. energy: 3.235 local terms energy: -810.227427 where: bonds (distance) C4'-P energy: -143.244 bonds (distance) P-C4' energy: -145.100 flat angles C4'-P-C4' energy: -166.395 flat angles P-C4'-P energy: -121.732 tors. eta vs tors. theta energy: -233.757 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: 5 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -2529.365409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.365409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.365409 (E_RNA) where: Base-Base interactions energy: -1726.059 where: short stacking energy: -733.475 Base-Backbone interact. energy: -3.769 local terms energy: -799.537214 where: bonds (distance) C4'-P energy: -157.043 bonds (distance) P-C4' energy: -140.433 flat angles C4'-P-C4' energy: -169.196 flat angles P-C4'-P energy: -116.282 tors. eta vs tors. theta energy: -216.585 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: 5, replica: 9 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -2465.611599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.611599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.611599 (E_RNA) where: Base-Base interactions energy: -1719.859 where: short stacking energy: -738.523 Base-Backbone interact. energy: 0.536 local terms energy: -746.288753 where: bonds (distance) C4'-P energy: -134.378 bonds (distance) P-C4' energy: -154.242 flat angles C4'-P-C4' energy: -158.946 flat angles P-C4'-P energy: -102.627 tors. eta vs tors. theta energy: -196.096 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: 4 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -2340.066483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.066483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.066483 (E_RNA) where: Base-Base interactions energy: -1606.615 where: short stacking energy: -702.153 Base-Backbone interact. energy: 0.232 local terms energy: -733.684056 where: bonds (distance) C4'-P energy: -144.613 bonds (distance) P-C4' energy: -130.437 flat angles C4'-P-C4' energy: -165.256 flat angles P-C4'-P energy: -101.505 tors. eta vs tors. theta energy: -191.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -2058.748427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.748427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.748427 (E_RNA) where: Base-Base interactions energy: -1374.728 where: short stacking energy: -612.843 Base-Backbone interact. energy: -2.256 local terms energy: -681.764604 where: bonds (distance) C4'-P energy: -128.898 bonds (distance) P-C4' energy: -133.450 flat angles C4'-P-C4' energy: -159.699 flat angles P-C4'-P energy: -112.909 tors. eta vs tors. theta energy: -146.808 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: 8, replica: 2 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1766.082303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.082303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.082303 (E_RNA) where: Base-Base interactions energy: -1171.736 where: short stacking energy: -519.296 Base-Backbone interact. energy: -0.106 local terms energy: -594.240345 where: bonds (distance) C4'-P energy: -123.029 bonds (distance) P-C4' energy: -146.122 flat angles C4'-P-C4' energy: -129.867 flat angles P-C4'-P energy: -79.308 tors. eta vs tors. theta energy: -115.915 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: 1 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -1204.596709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.596709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.596709 (E_RNA) where: Base-Base interactions energy: -706.537 where: short stacking energy: -352.931 Base-Backbone interact. energy: 6.961 local terms energy: -505.020714 where: bonds (distance) C4'-P energy: -131.399 bonds (distance) P-C4' energy: -138.468 flat angles C4'-P-C4' energy: -132.091 flat angles P-C4'-P energy: -66.444 tors. eta vs tors. theta energy: -36.618 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: 10, replica: 3 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -922.715986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.715986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.715986 (E_RNA) where: Base-Base interactions energy: -504.413 where: short stacking energy: -264.928 Base-Backbone interact. energy: 6.957 local terms energy: -425.259219 where: bonds (distance) C4'-P energy: -105.502 bonds (distance) P-C4' energy: -146.350 flat angles C4'-P-C4' energy: -113.143 flat angles P-C4'-P energy: -74.578 tors. eta vs tors. theta energy: 14.314 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: 6 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -2929.264605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.264605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.264605 (E_RNA) where: Base-Base interactions energy: -2035.149 where: short stacking energy: -842.005 Base-Backbone interact. energy: -3.285 local terms energy: -890.830573 where: bonds (distance) C4'-P energy: -150.267 bonds (distance) P-C4' energy: -155.231 flat angles C4'-P-C4' energy: -188.657 flat angles P-C4'-P energy: -134.034 tors. eta vs tors. theta energy: -262.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -2819.653873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.653873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.653873 (E_RNA) where: Base-Base interactions energy: -1972.551 where: short stacking energy: -828.854 Base-Backbone interact. energy: -6.199 local terms energy: -840.903855 where: bonds (distance) C4'-P energy: -159.037 bonds (distance) P-C4' energy: -152.099 flat angles C4'-P-C4' energy: -187.962 flat angles P-C4'-P energy: -114.841 tors. eta vs tors. theta energy: -226.964 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: 7 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -2687.976940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.976940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.976940 (E_RNA) where: Base-Base interactions energy: -1870.831 where: short stacking energy: -841.646 Base-Backbone interact. energy: -4.086 local terms energy: -813.060142 where: bonds (distance) C4'-P energy: -149.439 bonds (distance) P-C4' energy: -130.058 flat angles C4'-P-C4' energy: -172.988 flat angles P-C4'-P energy: -128.313 tors. eta vs tors. theta energy: -232.262 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: 4, replica: 5 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -2595.436464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.436464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.436464 (E_RNA) where: Base-Base interactions energy: -1795.835 where: short stacking energy: -762.774 Base-Backbone interact. energy: -3.823 local terms energy: -795.778477 where: bonds (distance) C4'-P energy: -135.336 bonds (distance) P-C4' energy: -152.600 flat angles C4'-P-C4' energy: -159.294 flat angles P-C4'-P energy: -126.590 tors. eta vs tors. theta energy: -221.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -2459.452053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.452053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.452053 (E_RNA) where: Base-Base interactions energy: -1685.243 where: short stacking energy: -718.691 Base-Backbone interact. energy: -3.389 local terms energy: -770.820441 where: bonds (distance) C4'-P energy: -157.539 bonds (distance) P-C4' energy: -132.155 flat angles C4'-P-C4' energy: -165.191 flat angles P-C4'-P energy: -108.938 tors. eta vs tors. theta energy: -206.998 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: 4 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -2296.537410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.537410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.537410 (E_RNA) where: Base-Base interactions energy: -1575.924 where: short stacking energy: -687.544 Base-Backbone interact. energy: -0.349 local terms energy: -720.264389 where: bonds (distance) C4'-P energy: -126.196 bonds (distance) P-C4' energy: -141.774 flat angles C4'-P-C4' energy: -165.699 flat angles P-C4'-P energy: -113.108 tors. eta vs tors. theta energy: -173.489 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: 7, replica: 8 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -2099.314698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.314698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.314698 (E_RNA) where: Base-Base interactions energy: -1397.203 where: short stacking energy: -618.020 Base-Backbone interact. energy: -3.330 local terms energy: -698.781503 where: bonds (distance) C4'-P energy: -137.137 bonds (distance) P-C4' energy: -141.913 flat angles C4'-P-C4' energy: -152.027 flat angles P-C4'-P energy: -107.199 tors. eta vs tors. theta energy: -160.506 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: 2 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1789.129181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.129181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.129181 (E_RNA) where: Base-Base interactions energy: -1213.658 where: short stacking energy: -542.641 Base-Backbone interact. energy: -1.630 local terms energy: -573.841215 where: bonds (distance) C4'-P energy: -114.053 bonds (distance) P-C4' energy: -119.813 flat angles C4'-P-C4' energy: -136.186 flat angles P-C4'-P energy: -72.510 tors. eta vs tors. theta energy: -131.280 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: 9, replica: 1 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -1136.634858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.634858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.634858 (E_RNA) where: Base-Base interactions energy: -644.056 where: short stacking energy: -316.812 Base-Backbone interact. energy: 0.142 local terms energy: -492.721440 where: bonds (distance) C4'-P energy: -134.868 bonds (distance) P-C4' energy: -136.580 flat angles C4'-P-C4' energy: -128.181 flat angles P-C4'-P energy: -76.458 tors. eta vs tors. theta energy: -16.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -913.019238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.019238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.019238 (E_RNA) where: Base-Base interactions energy: -470.906 where: short stacking energy: -266.766 Base-Backbone interact. energy: 11.661 local terms energy: -453.774834 where: bonds (distance) C4'-P energy: -116.108 bonds (distance) P-C4' energy: -140.398 flat angles C4'-P-C4' energy: -118.452 flat angles P-C4'-P energy: -61.491 tors. eta vs tors. theta energy: -17.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -2943.179738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.179738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.179738 (E_RNA) where: Base-Base interactions energy: -2060.765 where: short stacking energy: -869.261 Base-Backbone interact. energy: -3.210 local terms energy: -879.204948 where: bonds (distance) C4'-P energy: -157.514 bonds (distance) P-C4' energy: -161.220 flat angles C4'-P-C4' energy: -183.312 flat angles P-C4'-P energy: -115.486 tors. eta vs tors. theta energy: -261.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -2824.337015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.337015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.337015 (E_RNA) where: Base-Base interactions energy: -1965.679 where: short stacking energy: -810.503 Base-Backbone interact. energy: -6.788 local terms energy: -851.869917 where: bonds (distance) C4'-P energy: -155.405 bonds (distance) P-C4' energy: -167.340 flat angles C4'-P-C4' energy: -177.311 flat angles P-C4'-P energy: -132.937 tors. eta vs tors. theta energy: -218.877 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: 7 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -2709.298776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.298776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.298776 (E_RNA) where: Base-Base interactions energy: -1875.657 where: short stacking energy: -805.596 Base-Backbone interact. energy: -3.502 local terms energy: -830.139831 where: bonds (distance) C4'-P energy: -157.470 bonds (distance) P-C4' energy: -154.204 flat angles C4'-P-C4' energy: -171.312 flat angles P-C4'-P energy: -117.423 tors. eta vs tors. theta energy: -229.731 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: 4, replica: 9 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -2490.489301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.489301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.489301 (E_RNA) where: Base-Base interactions energy: -1720.821 where: short stacking energy: -737.194 Base-Backbone interact. energy: -5.777 local terms energy: -763.891580 where: bonds (distance) C4'-P energy: -159.042 bonds (distance) P-C4' energy: -157.400 flat angles C4'-P-C4' energy: -160.816 flat angles P-C4'-P energy: -84.078 tors. eta vs tors. theta energy: -202.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -2490.814658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.814658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.814658 (E_RNA) where: Base-Base interactions energy: -1712.826 where: short stacking energy: -712.185 Base-Backbone interact. energy: 0.003 local terms energy: -777.991497 where: bonds (distance) C4'-P energy: -136.508 bonds (distance) P-C4' energy: -155.032 flat angles C4'-P-C4' energy: -179.259 flat angles P-C4'-P energy: -95.812 tors. eta vs tors. theta energy: -211.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -2375.370517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.370517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.370517 (E_RNA) where: Base-Base interactions energy: -1658.830 where: short stacking energy: -697.960 Base-Backbone interact. energy: 2.525 local terms energy: -719.065148 where: bonds (distance) C4'-P energy: -120.198 bonds (distance) P-C4' energy: -150.351 flat angles C4'-P-C4' energy: -161.079 flat angles P-C4'-P energy: -94.049 tors. eta vs tors. theta energy: -193.388 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: 8 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -2057.057000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.057000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.057000 (E_RNA) where: Base-Base interactions energy: -1400.592 where: short stacking energy: -600.138 Base-Backbone interact. energy: -5.456 local terms energy: -651.009112 where: bonds (distance) C4'-P energy: -93.042 bonds (distance) P-C4' energy: -148.039 flat angles C4'-P-C4' energy: -148.279 flat angles P-C4'-P energy: -102.117 tors. eta vs tors. theta energy: -159.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1851.547659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.547659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.547659 (E_RNA) where: Base-Base interactions energy: -1235.789 where: short stacking energy: -543.226 Base-Backbone interact. energy: -2.006 local terms energy: -613.752475 where: bonds (distance) C4'-P energy: -131.081 bonds (distance) P-C4' energy: -126.008 flat angles C4'-P-C4' energy: -133.677 flat angles P-C4'-P energy: -92.460 tors. eta vs tors. theta energy: -130.527 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: 1 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -1180.748531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.748531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.748531 (E_RNA) where: Base-Base interactions energy: -689.554 where: short stacking energy: -348.812 Base-Backbone interact. energy: -3.987 local terms energy: -487.207175 where: bonds (distance) C4'-P energy: -109.078 bonds (distance) P-C4' energy: -153.845 flat angles C4'-P-C4' energy: -94.069 flat angles P-C4'-P energy: -85.348 tors. eta vs tors. theta energy: -44.866 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: 10, replica: 3 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -943.092559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.092559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.092559 (E_RNA) where: Base-Base interactions energy: -505.336 where: short stacking energy: -279.031 Base-Backbone interact. energy: 9.940 local terms energy: -447.696362 where: bonds (distance) C4'-P energy: -122.070 bonds (distance) P-C4' energy: -136.371 flat angles C4'-P-C4' energy: -115.349 flat angles P-C4'-P energy: -66.314 tors. eta vs tors. theta energy: -7.593 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: 1, replica: 6 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -2929.869904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.869904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.869904 (E_RNA) where: Base-Base interactions energy: -2041.233 where: short stacking energy: -872.640 Base-Backbone interact. energy: -2.360 local terms energy: -886.276735 where: bonds (distance) C4'-P energy: -147.264 bonds (distance) P-C4' energy: -171.106 flat angles C4'-P-C4' energy: -192.164 flat angles P-C4'-P energy: -112.380 tors. eta vs tors. theta energy: -263.363 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: 2, replica: 10 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -2815.512168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.512168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.512168 (E_RNA) where: Base-Base interactions energy: -1994.993 where: short stacking energy: -831.120 Base-Backbone interact. energy: -4.140 local terms energy: -816.379200 where: bonds (distance) C4'-P energy: -139.095 bonds (distance) P-C4' energy: -151.104 flat angles C4'-P-C4' energy: -176.679 flat angles P-C4'-P energy: -122.799 tors. eta vs tors. theta energy: -226.702 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: 3, replica: 7 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -2692.461609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.461609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.461609 (E_RNA) where: Base-Base interactions energy: -1869.785 where: short stacking energy: -808.147 Base-Backbone interact. energy: 2.227 local terms energy: -824.903315 where: bonds (distance) C4'-P energy: -152.682 bonds (distance) P-C4' energy: -158.870 flat angles C4'-P-C4' energy: -174.839 flat angles P-C4'-P energy: -110.703 tors. eta vs tors. theta energy: -227.809 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: 4, replica: 9 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -2562.912363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.912363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.912363 (E_RNA) where: Base-Base interactions energy: -1758.372 where: short stacking energy: -760.043 Base-Backbone interact. energy: -2.162 local terms energy: -802.378023 where: bonds (distance) C4'-P energy: -134.370 bonds (distance) P-C4' energy: -150.359 flat angles C4'-P-C4' energy: -185.522 flat angles P-C4'-P energy: -126.283 tors. eta vs tors. theta energy: -205.844 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: 5 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -2418.070021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.070021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.070021 (E_RNA) where: Base-Base interactions energy: -1650.252 where: short stacking energy: -707.507 Base-Backbone interact. energy: -4.162 local terms energy: -763.655269 where: bonds (distance) C4'-P energy: -130.719 bonds (distance) P-C4' energy: -149.455 flat angles C4'-P-C4' energy: -169.424 flat angles P-C4'-P energy: -118.329 tors. eta vs tors. theta energy: -195.728 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: 6, replica: 4 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -2361.470229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.470229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.470229 (E_RNA) where: Base-Base interactions energy: -1640.002 where: short stacking energy: -688.247 Base-Backbone interact. energy: -5.454 local terms energy: -716.014089 where: bonds (distance) C4'-P energy: -138.534 bonds (distance) P-C4' energy: -146.403 flat angles C4'-P-C4' energy: -147.984 flat angles P-C4'-P energy: -99.675 tors. eta vs tors. theta energy: -183.418 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: 8 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -2047.230699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.230699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.230699 (E_RNA) where: Base-Base interactions energy: -1385.856 where: short stacking energy: -606.826 Base-Backbone interact. energy: 2.214 local terms energy: -663.588579 where: bonds (distance) C4'-P energy: -131.359 bonds (distance) P-C4' energy: -133.731 flat angles C4'-P-C4' energy: -147.369 flat angles P-C4'-P energy: -93.536 tors. eta vs tors. theta energy: -157.594 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: 8, replica: 2 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1808.667089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.667089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.667089 (E_RNA) where: Base-Base interactions energy: -1195.361 where: short stacking energy: -511.564 Base-Backbone interact. energy: -2.796 local terms energy: -610.510160 where: bonds (distance) C4'-P energy: -133.513 bonds (distance) P-C4' energy: -128.564 flat angles C4'-P-C4' energy: -136.597 flat angles P-C4'-P energy: -96.851 tors. eta vs tors. theta energy: -114.985 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: 9, replica: 1 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -1179.991645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.991645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.991645 (E_RNA) where: Base-Base interactions energy: -698.809 where: short stacking energy: -372.604 Base-Backbone interact. energy: 2.698 local terms energy: -483.880333 where: bonds (distance) C4'-P energy: -132.024 bonds (distance) P-C4' energy: -119.320 flat angles C4'-P-C4' energy: -131.002 flat angles P-C4'-P energy: -67.258 tors. eta vs tors. theta energy: -34.277 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: 10, replica: 3 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -888.062786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.062786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.062786 (E_RNA) where: Base-Base interactions energy: -449.749 where: short stacking energy: -262.624 Base-Backbone interact. energy: -1.079 local terms energy: -437.235115 where: bonds (distance) C4'-P energy: -113.803 bonds (distance) P-C4' energy: -135.296 flat angles C4'-P-C4' energy: -119.906 flat angles P-C4'-P energy: -72.041 tors. eta vs tors. theta energy: 3.811 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: 1, replica: 6 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -2960.451385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.451385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.451385 (E_RNA) where: Base-Base interactions energy: -2074.394 where: short stacking energy: -878.950 Base-Backbone interact. energy: -0.991 local terms energy: -885.066497 where: bonds (distance) C4'-P energy: -150.467 bonds (distance) P-C4' energy: -159.489 flat angles C4'-P-C4' energy: -187.647 flat angles P-C4'-P energy: -125.764 tors. eta vs tors. theta energy: -261.700 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: 10 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -2824.367325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.367325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.367325 (E_RNA) where: Base-Base interactions energy: -1966.304 where: short stacking energy: -825.102 Base-Backbone interact. energy: -3.593 local terms energy: -854.471013 where: bonds (distance) C4'-P energy: -165.381 bonds (distance) P-C4' energy: -163.614 flat angles C4'-P-C4' energy: -185.429 flat angles P-C4'-P energy: -112.023 tors. eta vs tors. theta energy: -228.024 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: 7 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -2670.223004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.223004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.223004 (E_RNA) where: Base-Base interactions energy: -1852.029 where: short stacking energy: -802.097 Base-Backbone interact. energy: 0.165 local terms energy: -818.358648 where: bonds (distance) C4'-P energy: -143.897 bonds (distance) P-C4' energy: -152.772 flat angles C4'-P-C4' energy: -173.731 flat angles P-C4'-P energy: -109.843 tors. eta vs tors. theta energy: -238.116 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: 9 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -2570.477078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.477078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.477078 (E_RNA) where: Base-Base interactions energy: -1759.824 where: short stacking energy: -740.943 Base-Backbone interact. energy: 2.953 local terms energy: -813.606783 where: bonds (distance) C4'-P energy: -148.896 bonds (distance) P-C4' energy: -162.712 flat angles C4'-P-C4' energy: -180.611 flat angles P-C4'-P energy: -121.304 tors. eta vs tors. theta energy: -200.084 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: 347 Temperature: 1.100000 Total energy: -2382.794523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.794523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.794523 (E_RNA) where: Base-Base interactions energy: -1648.737 where: short stacking energy: -689.798 Base-Backbone interact. energy: -2.973 local terms energy: -731.084613 where: bonds (distance) C4'-P energy: -129.471 bonds (distance) P-C4' energy: -156.689 flat angles C4'-P-C4' energy: -157.824 flat angles P-C4'-P energy: -100.940 tors. eta vs tors. theta energy: -186.160 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: 6, replica: 4 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -2367.355865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.355865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.355865 (E_RNA) where: Base-Base interactions energy: -1647.198 where: short stacking energy: -704.974 Base-Backbone interact. energy: 7.829 local terms energy: -727.986981 where: bonds (distance) C4'-P energy: -135.905 bonds (distance) P-C4' energy: -143.539 flat angles C4'-P-C4' energy: -149.754 flat angles P-C4'-P energy: -109.279 tors. eta vs tors. theta energy: -189.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -2036.634247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.634247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.634247 (E_RNA) where: Base-Base interactions energy: -1400.511 where: short stacking energy: -624.112 Base-Backbone interact. energy: -4.041 local terms energy: -632.081631 where: bonds (distance) C4'-P energy: -122.679 bonds (distance) P-C4' energy: -139.692 flat angles C4'-P-C4' energy: -137.211 flat angles P-C4'-P energy: -73.098 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: 8, replica: 2 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1768.037572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.037572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.037572 (E_RNA) where: Base-Base interactions energy: -1209.451 where: short stacking energy: -512.658 Base-Backbone interact. energy: 5.817 local terms energy: -564.403347 where: bonds (distance) C4'-P energy: -117.658 bonds (distance) P-C4' energy: -122.840 flat angles C4'-P-C4' energy: -141.703 flat angles P-C4'-P energy: -81.071 tors. eta vs tors. theta energy: -101.132 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: 1 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -1267.510736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.510736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.510736 (E_RNA) where: Base-Base interactions energy: -796.048 where: short stacking energy: -347.529 Base-Backbone interact. energy: 5.768 local terms energy: -477.231427 where: bonds (distance) C4'-P energy: -126.777 bonds (distance) P-C4' energy: -141.670 flat angles C4'-P-C4' energy: -111.296 flat angles P-C4'-P energy: -67.218 tors. eta vs tors. theta energy: -30.270 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: 10, replica: 3 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -928.059782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.059782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.059782 (E_RNA) where: Base-Base interactions energy: -448.838 where: short stacking energy: -243.330 Base-Backbone interact. energy: 1.199 local terms energy: -480.420666 where: bonds (distance) C4'-P energy: -126.579 bonds (distance) P-C4' energy: -138.342 flat angles C4'-P-C4' energy: -132.658 flat angles P-C4'-P energy: -69.769 tors. eta vs tors. theta energy: -13.073 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: 6 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -2957.519394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.519394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.519394 (E_RNA) where: Base-Base interactions energy: -2059.678 where: short stacking energy: -866.012 Base-Backbone interact. energy: -4.979 local terms energy: -892.862617 where: bonds (distance) C4'-P energy: -158.975 bonds (distance) P-C4' energy: -160.611 flat angles C4'-P-C4' energy: -184.258 flat angles P-C4'-P energy: -133.249 tors. eta vs tors. theta energy: -255.769 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: 10 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2814.118697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.118697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.118697 (E_RNA) where: Base-Base interactions energy: -1965.080 where: short stacking energy: -843.829 Base-Backbone interact. energy: -3.831 local terms energy: -845.207676 where: bonds (distance) C4'-P energy: -158.425 bonds (distance) P-C4' energy: -149.880 flat angles C4'-P-C4' energy: -189.772 flat angles P-C4'-P energy: -114.806 tors. eta vs tors. theta energy: -232.324 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: 3, replica: 7 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2708.423083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.423083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.423083 (E_RNA) where: Base-Base interactions energy: -1856.508 where: short stacking energy: -841.472 Base-Backbone interact. energy: 0.115 local terms energy: -852.030036 where: bonds (distance) C4'-P energy: -166.742 bonds (distance) P-C4' energy: -156.360 flat angles C4'-P-C4' energy: -180.417 flat angles P-C4'-P energy: -108.588 tors. eta vs tors. theta energy: -239.923 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: 4, replica: 9 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -2578.373810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.373810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.373810 (E_RNA) where: Base-Base interactions energy: -1795.161 where: short stacking energy: -749.095 Base-Backbone interact. energy: -2.166 local terms energy: -781.046764 where: bonds (distance) C4'-P energy: -159.913 bonds (distance) P-C4' energy: -143.711 flat angles C4'-P-C4' energy: -167.480 flat angles P-C4'-P energy: -109.163 tors. eta vs tors. theta energy: -200.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -2390.159675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.159675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.159675 (E_RNA) where: Base-Base interactions energy: -1655.432 where: short stacking energy: -701.273 Base-Backbone interact. energy: -1.773 local terms energy: -732.954198 where: bonds (distance) C4'-P energy: -150.160 bonds (distance) P-C4' energy: -132.698 flat angles C4'-P-C4' energy: -161.403 flat angles P-C4'-P energy: -106.068 tors. eta vs tors. theta energy: -182.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -2334.295998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.295998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.295998 (E_RNA) where: Base-Base interactions energy: -1600.601 where: short stacking energy: -690.409 Base-Backbone interact. energy: -3.729 local terms energy: -729.966117 where: bonds (distance) C4'-P energy: -135.838 bonds (distance) P-C4' energy: -139.274 flat angles C4'-P-C4' energy: -170.421 flat angles P-C4'-P energy: -100.953 tors. eta vs tors. theta energy: -183.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -2039.952204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.952204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.952204 (E_RNA) where: Base-Base interactions energy: -1365.915 where: short stacking energy: -611.498 Base-Backbone interact. energy: -2.724 local terms energy: -671.312800 where: bonds (distance) C4'-P energy: -130.326 bonds (distance) P-C4' energy: -134.047 flat angles C4'-P-C4' energy: -140.388 flat angles P-C4'-P energy: -93.201 tors. eta vs tors. theta energy: -173.351 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: 8, replica: 2 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1788.124362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.124362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.124362 (E_RNA) where: Base-Base interactions energy: -1194.465 where: short stacking energy: -525.389 Base-Backbone interact. energy: -1.708 local terms energy: -591.951576 where: bonds (distance) C4'-P energy: -122.106 bonds (distance) P-C4' energy: -128.392 flat angles C4'-P-C4' energy: -127.907 flat angles P-C4'-P energy: -93.042 tors. eta vs tors. theta energy: -120.506 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: 9, replica: 1 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -1402.075700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.075700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.075700 (E_RNA) where: Base-Base interactions energy: -866.811 where: short stacking energy: -399.927 Base-Backbone interact. energy: -3.626 local terms energy: -531.638178 where: bonds (distance) C4'-P energy: -128.114 bonds (distance) P-C4' energy: -113.823 flat angles C4'-P-C4' energy: -134.882 flat angles P-C4'-P energy: -88.056 tors. eta vs tors. theta energy: -66.765 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: 10, replica: 3 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -873.590014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.590014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.590014 (E_RNA) where: Base-Base interactions energy: -457.521 where: short stacking energy: -261.968 Base-Backbone interact. energy: -0.486 local terms energy: -415.583059 where: bonds (distance) C4'-P energy: -115.256 bonds (distance) P-C4' energy: -120.977 flat angles C4'-P-C4' energy: -103.660 flat angles P-C4'-P energy: -75.619 tors. eta vs tors. theta energy: -0.071 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: 1, replica: 6 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -2946.488931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.488931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.488931 (E_RNA) where: Base-Base interactions energy: -2042.645 where: short stacking energy: -873.927 Base-Backbone interact. energy: 1.522 local terms energy: -905.366732 where: bonds (distance) C4'-P energy: -148.092 bonds (distance) P-C4' energy: -174.842 flat angles C4'-P-C4' energy: -189.985 flat angles P-C4'-P energy: -137.153 tors. eta vs tors. theta energy: -255.294 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: 10 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -2787.958209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.958209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.958209 (E_RNA) where: Base-Base interactions energy: -1951.650 where: short stacking energy: -802.718 Base-Backbone interact. energy: -1.921 local terms energy: -834.386573 where: bonds (distance) C4'-P energy: -152.987 bonds (distance) P-C4' energy: -159.291 flat angles C4'-P-C4' energy: -175.018 flat angles P-C4'-P energy: -121.088 tors. eta vs tors. theta energy: -226.003 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: 7 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -2662.178077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.178077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.178077 (E_RNA) where: Base-Base interactions energy: -1868.380 where: short stacking energy: -793.831 Base-Backbone interact. energy: -1.169 local terms energy: -792.629470 where: bonds (distance) C4'-P energy: -145.428 bonds (distance) P-C4' energy: -147.021 flat angles C4'-P-C4' energy: -163.406 flat angles P-C4'-P energy: -114.704 tors. eta vs tors. theta energy: -222.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -2575.369674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.369674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.369674 (E_RNA) where: Base-Base interactions energy: -1752.020 where: short stacking energy: -782.332 Base-Backbone interact. energy: -3.122 local terms energy: -820.228576 where: bonds (distance) C4'-P energy: -152.146 bonds (distance) P-C4' energy: -152.244 flat angles C4'-P-C4' energy: -184.384 flat angles P-C4'-P energy: -120.124 tors. eta vs tors. theta energy: -211.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -2437.345895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.345895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.345895 (E_RNA) where: Base-Base interactions energy: -1671.870 where: short stacking energy: -701.176 Base-Backbone interact. energy: 0.009 local terms energy: -765.484712 where: bonds (distance) C4'-P energy: -158.440 bonds (distance) P-C4' energy: -148.967 flat angles C4'-P-C4' energy: -160.293 flat angles P-C4'-P energy: -107.245 tors. eta vs tors. theta energy: -190.538 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: 349 Temperature: 1.150000 Total energy: -2410.527905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.527905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.527905 (E_RNA) where: Base-Base interactions energy: -1675.482 where: short stacking energy: -735.985 Base-Backbone interact. energy: -4.268 local terms energy: -730.778057 where: bonds (distance) C4'-P energy: -128.166 bonds (distance) P-C4' energy: -126.621 flat angles C4'-P-C4' energy: -158.081 flat angles P-C4'-P energy: -115.345 tors. eta vs tors. theta energy: -202.566 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: 8 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -2057.226402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.226402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.226402 (E_RNA) where: Base-Base interactions energy: -1378.434 where: short stacking energy: -597.251 Base-Backbone interact. energy: 1.786 local terms energy: -680.578699 where: bonds (distance) C4'-P energy: -150.622 bonds (distance) P-C4' energy: -141.453 flat angles C4'-P-C4' energy: -145.404 flat angles P-C4'-P energy: -81.109 tors. eta vs tors. theta energy: -161.992 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: 2 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1827.706081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.706081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.706081 (E_RNA) where: Base-Base interactions energy: -1262.056 where: short stacking energy: -507.388 Base-Backbone interact. energy: -7.282 local terms energy: -558.368440 where: bonds (distance) C4'-P energy: -111.618 bonds (distance) P-C4' energy: -122.423 flat angles C4'-P-C4' energy: -127.064 flat angles P-C4'-P energy: -100.587 tors. eta vs tors. theta energy: -96.676 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: 9, replica: 1 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -1464.675228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.675228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.675228 (E_RNA) where: Base-Base interactions energy: -934.714 where: short stacking energy: -425.065 Base-Backbone interact. energy: -2.055 local terms energy: -527.905988 where: bonds (distance) C4'-P energy: -119.539 bonds (distance) P-C4' energy: -129.140 flat angles C4'-P-C4' energy: -132.690 flat angles P-C4'-P energy: -63.997 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: 10, replica: 3 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -902.027971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.027971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.027971 (E_RNA) where: Base-Base interactions energy: -441.347 where: short stacking energy: -263.402 Base-Backbone interact. energy: -1.127 local terms energy: -459.553872 where: bonds (distance) C4'-P energy: -131.777 bonds (distance) P-C4' energy: -133.823 flat angles C4'-P-C4' energy: -122.323 flat angles P-C4'-P energy: -63.770 tors. eta vs tors. theta energy: -7.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -2946.851053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.851053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.851053 (E_RNA) where: Base-Base interactions energy: -2061.763 where: short stacking energy: -852.059 Base-Backbone interact. energy: -1.255 local terms energy: -883.833344 where: bonds (distance) C4'-P energy: -158.507 bonds (distance) P-C4' energy: -161.859 flat angles C4'-P-C4' energy: -173.372 flat angles P-C4'-P energy: -129.593 tors. eta vs tors. theta energy: -260.503 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: 2, replica: 10 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -2829.085173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.085173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.085173 (E_RNA) where: Base-Base interactions energy: -1983.312 where: short stacking energy: -817.300 Base-Backbone interact. energy: -3.622 local terms energy: -842.151618 where: bonds (distance) C4'-P energy: -159.778 bonds (distance) P-C4' energy: -152.920 flat angles C4'-P-C4' energy: -190.220 flat angles P-C4'-P energy: -114.793 tors. eta vs tors. theta energy: -224.440 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: 3, replica: 7 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2673.837804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.837804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.837804 (E_RNA) where: Base-Base interactions energy: -1871.491 where: short stacking energy: -800.828 Base-Backbone interact. energy: 0.112 local terms energy: -802.458467 where: bonds (distance) C4'-P energy: -144.822 bonds (distance) P-C4' energy: -144.771 flat angles C4'-P-C4' energy: -176.502 flat angles P-C4'-P energy: -104.431 tors. eta vs tors. theta energy: -231.932 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: 4, replica: 9 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -2624.277964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.277964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.277964 (E_RNA) where: Base-Base interactions energy: -1796.486 where: short stacking energy: -795.538 Base-Backbone interact. energy: -3.301 local terms energy: -824.491488 where: bonds (distance) C4'-P energy: -143.726 bonds (distance) P-C4' energy: -160.410 flat angles C4'-P-C4' energy: -180.444 flat angles P-C4'-P energy: -108.298 tors. eta vs tors. theta energy: -231.612 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: 5, replica: 5 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -2407.000546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.000546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.000546 (E_RNA) where: Base-Base interactions energy: -1632.553 where: short stacking energy: -715.343 Base-Backbone interact. energy: -1.118 local terms energy: -773.329765 where: bonds (distance) C4'-P energy: -132.535 bonds (distance) P-C4' energy: -156.720 flat angles C4'-P-C4' energy: -168.487 flat angles P-C4'-P energy: -116.396 tors. eta vs tors. theta energy: -199.193 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: 4 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -2364.956233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.956233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.956233 (E_RNA) where: Base-Base interactions energy: -1612.216 where: short stacking energy: -695.105 Base-Backbone interact. energy: -1.712 local terms energy: -751.028058 where: bonds (distance) C4'-P energy: -139.917 bonds (distance) P-C4' energy: -142.482 flat angles C4'-P-C4' energy: -165.311 flat angles P-C4'-P energy: -105.684 tors. eta vs tors. theta energy: -197.634 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: 7, replica: 8 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -2034.378388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.378388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.378388 (E_RNA) where: Base-Base interactions energy: -1363.252 where: short stacking energy: -594.571 Base-Backbone interact. energy: 0.294 local terms energy: -671.420599 where: bonds (distance) C4'-P energy: -131.554 bonds (distance) P-C4' energy: -137.245 flat angles C4'-P-C4' energy: -146.630 flat angles P-C4'-P energy: -108.972 tors. eta vs tors. theta energy: -147.020 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: 8, replica: 2 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1721.967590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.967590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.967590 (E_RNA) where: Base-Base interactions energy: -1156.534 where: short stacking energy: -506.394 Base-Backbone interact. energy: 1.784 local terms energy: -567.217023 where: bonds (distance) C4'-P energy: -133.195 bonds (distance) P-C4' energy: -130.980 flat angles C4'-P-C4' energy: -139.084 flat angles P-C4'-P energy: -63.505 tors. eta vs tors. theta energy: -100.453 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: 9, replica: 1 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -1440.560394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.560394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.560394 (E_RNA) where: Base-Base interactions energy: -908.993 where: short stacking energy: -428.616 Base-Backbone interact. energy: -1.404 local terms energy: -530.163263 where: bonds (distance) C4'-P energy: -123.171 bonds (distance) P-C4' energy: -155.010 flat angles C4'-P-C4' energy: -102.695 flat angles P-C4'-P energy: -84.433 tors. eta vs tors. theta energy: -64.855 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: 3 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -897.628261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.628261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.628261 (E_RNA) where: Base-Base interactions energy: -463.511 where: short stacking energy: -238.736 Base-Backbone interact. energy: -1.163 local terms energy: -432.953484 where: bonds (distance) C4'-P energy: -122.835 bonds (distance) P-C4' energy: -138.383 flat angles C4'-P-C4' energy: -107.799 flat angles P-C4'-P energy: -68.607 tors. eta vs tors. theta energy: 4.670 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: 1, replica: 6 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -2954.593106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.593106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.593106 (E_RNA) where: Base-Base interactions energy: -2057.406 where: short stacking energy: -846.811 Base-Backbone interact. energy: -3.579 local terms energy: -893.607997 where: bonds (distance) C4'-P energy: -169.540 bonds (distance) P-C4' energy: -162.390 flat angles C4'-P-C4' energy: -184.081 flat angles P-C4'-P energy: -120.501 tors. eta vs tors. theta energy: -257.096 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: 2, replica: 10 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -2794.912611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.912611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.912611 (E_RNA) where: Base-Base interactions energy: -1973.620 where: short stacking energy: -810.310 Base-Backbone interact. energy: -3.469 local terms energy: -817.824246 where: bonds (distance) C4'-P energy: -153.489 bonds (distance) P-C4' energy: -143.167 flat angles C4'-P-C4' energy: -182.379 flat angles P-C4'-P energy: -105.924 tors. eta vs tors. theta energy: -232.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2706.248059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.248059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.248059 (E_RNA) where: Base-Base interactions energy: -1888.829 where: short stacking energy: -823.907 Base-Backbone interact. energy: -1.187 local terms energy: -816.231646 where: bonds (distance) C4'-P energy: -137.678 bonds (distance) P-C4' energy: -148.494 flat angles C4'-P-C4' energy: -166.018 flat angles P-C4'-P energy: -115.608 tors. eta vs tors. theta energy: -248.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -2598.845493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.845493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.845493 (E_RNA) where: Base-Base interactions energy: -1817.086 where: short stacking energy: -819.287 Base-Backbone interact. energy: 1.050 local terms energy: -782.809582 where: bonds (distance) C4'-P energy: -141.310 bonds (distance) P-C4' energy: -134.715 flat angles C4'-P-C4' energy: -178.337 flat angles P-C4'-P energy: -109.049 tors. eta vs tors. theta energy: -219.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -2445.386967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.386967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.386967 (E_RNA) where: Base-Base interactions energy: -1687.780 where: short stacking energy: -714.895 Base-Backbone interact. energy: -3.096 local terms energy: -754.511510 where: bonds (distance) C4'-P energy: -135.172 bonds (distance) P-C4' energy: -157.452 flat angles C4'-P-C4' energy: -159.513 flat angles P-C4'-P energy: -101.791 tors. eta vs tors. theta energy: -200.583 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: 351 Temperature: 1.150000 Total energy: -2331.681469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.681469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.681469 (E_RNA) where: Base-Base interactions energy: -1612.630 where: short stacking energy: -707.093 Base-Backbone interact. energy: -7.432 local terms energy: -711.619100 where: bonds (distance) C4'-P energy: -132.658 bonds (distance) P-C4' energy: -118.443 flat angles C4'-P-C4' energy: -165.379 flat angles P-C4'-P energy: -109.301 tors. eta vs tors. theta energy: -185.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -2164.230892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.230892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.230892 (E_RNA) where: Base-Base interactions energy: -1487.710 where: short stacking energy: -647.340 Base-Backbone interact. energy: -1.303 local terms energy: -675.217831 where: bonds (distance) C4'-P energy: -117.799 bonds (distance) P-C4' energy: -132.916 flat angles C4'-P-C4' energy: -147.882 flat angles P-C4'-P energy: -105.630 tors. eta vs tors. theta energy: -170.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1759.329924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.329924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.329924 (E_RNA) where: Base-Base interactions energy: -1172.171 where: short stacking energy: -529.607 Base-Backbone interact. energy: -0.915 local terms energy: -586.243470 where: bonds (distance) C4'-P energy: -140.198 bonds (distance) P-C4' energy: -117.703 flat angles C4'-P-C4' energy: -152.765 flat angles P-C4'-P energy: -74.623 tors. eta vs tors. theta energy: -100.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -1473.984227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.984227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.984227 (E_RNA) where: Base-Base interactions energy: -934.911 where: short stacking energy: -435.434 Base-Backbone interact. energy: 1.169 local terms energy: -540.242517 where: bonds (distance) C4'-P energy: -120.848 bonds (distance) P-C4' energy: -130.884 flat angles C4'-P-C4' energy: -140.666 flat angles P-C4'-P energy: -67.472 tors. eta vs tors. theta energy: -80.372 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: 10, replica: 3 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -897.692967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.692967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.692967 (E_RNA) where: Base-Base interactions energy: -510.799 where: short stacking energy: -294.106 Base-Backbone interact. energy: -0.365 local terms energy: -386.528248 where: bonds (distance) C4'-P energy: -128.524 bonds (distance) P-C4' energy: -114.368 flat angles C4'-P-C4' energy: -111.389 flat angles P-C4'-P energy: -44.349 tors. eta vs tors. theta energy: 12.101 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: 1, replica: 6 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -2928.220565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.220565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.220565 (E_RNA) where: Base-Base interactions energy: -2048.570 where: short stacking energy: -870.370 Base-Backbone interact. energy: -4.500 local terms energy: -875.149880 where: bonds (distance) C4'-P energy: -169.140 bonds (distance) P-C4' energy: -146.744 flat angles C4'-P-C4' energy: -178.102 flat angles P-C4'-P energy: -121.721 tors. eta vs tors. theta energy: -259.443 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: 10 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -2861.754193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.754193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.754193 (E_RNA) where: Base-Base interactions energy: -2013.267 where: short stacking energy: -831.415 Base-Backbone interact. energy: -4.893 local terms energy: -843.593726 where: bonds (distance) C4'-P energy: -145.399 bonds (distance) P-C4' energy: -165.935 flat angles C4'-P-C4' energy: -189.212 flat angles P-C4'-P energy: -112.925 tors. eta vs tors. theta energy: -230.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2724.444680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.444680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.444680 (E_RNA) where: Base-Base interactions energy: -1879.306 where: short stacking energy: -845.585 Base-Backbone interact. energy: 0.580 local terms energy: -845.718897 where: bonds (distance) C4'-P energy: -137.807 bonds (distance) P-C4' energy: -167.533 flat angles C4'-P-C4' energy: -179.711 flat angles P-C4'-P energy: -108.953 tors. eta vs tors. theta energy: -251.716 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: 4, replica: 9 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -2548.600172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.600172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.600172 (E_RNA) where: Base-Base interactions energy: -1776.365 where: short stacking energy: -759.961 Base-Backbone interact. energy: -2.745 local terms energy: -769.490400 where: bonds (distance) C4'-P energy: -148.486 bonds (distance) P-C4' energy: -133.548 flat angles C4'-P-C4' energy: -164.500 flat angles P-C4'-P energy: -125.038 tors. eta vs tors. theta energy: -197.918 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: 5, replica: 5 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -2478.107593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.107593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.107593 (E_RNA) where: Base-Base interactions energy: -1698.200 where: short stacking energy: -732.273 Base-Backbone interact. energy: -4.558 local terms energy: -775.349156 where: bonds (distance) C4'-P energy: -141.773 bonds (distance) P-C4' energy: -144.070 flat angles C4'-P-C4' energy: -162.740 flat angles P-C4'-P energy: -117.920 tors. eta vs tors. theta energy: -208.846 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: 6, replica: 4 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -2334.884545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.884545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.884545 (E_RNA) where: Base-Base interactions energy: -1587.212 where: short stacking energy: -691.637 Base-Backbone interact. energy: 5.128 local terms energy: -752.800647 where: bonds (distance) C4'-P energy: -147.133 bonds (distance) P-C4' energy: -141.692 flat angles C4'-P-C4' energy: -165.740 flat angles P-C4'-P energy: -100.640 tors. eta vs tors. theta energy: -197.597 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: 8 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -2089.350404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.350404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.350404 (E_RNA) where: Base-Base interactions energy: -1408.423 where: short stacking energy: -605.036 Base-Backbone interact. energy: -0.426 local terms energy: -680.501893 where: bonds (distance) C4'-P energy: -132.847 bonds (distance) P-C4' energy: -137.338 flat angles C4'-P-C4' energy: -150.075 flat angles P-C4'-P energy: -85.844 tors. eta vs tors. theta energy: -174.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1770.065571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.065571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.065571 (E_RNA) where: Base-Base interactions energy: -1203.123 where: short stacking energy: -535.803 Base-Backbone interact. energy: -2.324 local terms energy: -564.617932 where: bonds (distance) C4'-P energy: -128.777 bonds (distance) P-C4' energy: -114.012 flat angles C4'-P-C4' energy: -138.214 flat angles P-C4'-P energy: -80.849 tors. eta vs tors. theta energy: -102.766 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: 1 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -1473.262981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.262981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.262981 (E_RNA) where: Base-Base interactions energy: -946.974 where: short stacking energy: -426.209 Base-Backbone interact. energy: 1.782 local terms energy: -528.070514 where: bonds (distance) C4'-P energy: -119.145 bonds (distance) P-C4' energy: -135.635 flat angles C4'-P-C4' energy: -137.524 flat angles P-C4'-P energy: -69.326 tors. eta vs tors. theta energy: -66.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -982.481626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.481626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.481626 (E_RNA) where: Base-Base interactions energy: -551.937 where: short stacking energy: -295.231 Base-Backbone interact. energy: 2.034 local terms energy: -432.578438 where: bonds (distance) C4'-P energy: -126.139 bonds (distance) P-C4' energy: -131.175 flat angles C4'-P-C4' energy: -129.310 flat angles P-C4'-P energy: -45.899 tors. eta vs tors. theta energy: -0.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -2920.208452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.208452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.208452 (E_RNA) where: Base-Base interactions energy: -2004.142 where: short stacking energy: -863.516 Base-Backbone interact. energy: -6.358 local terms energy: -909.708613 where: bonds (distance) C4'-P energy: -161.174 bonds (distance) P-C4' energy: -171.585 flat angles C4'-P-C4' energy: -187.538 flat angles P-C4'-P energy: -122.406 tors. eta vs tors. theta energy: -267.005 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: 2, replica: 10 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -2859.106030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.106030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.106030 (E_RNA) where: Base-Base interactions energy: -2003.527 where: short stacking energy: -823.990 Base-Backbone interact. energy: 4.006 local terms energy: -859.584802 where: bonds (distance) C4'-P energy: -147.166 bonds (distance) P-C4' energy: -147.982 flat angles C4'-P-C4' energy: -192.990 flat angles P-C4'-P energy: -127.407 tors. eta vs tors. theta energy: -244.040 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: 7 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -2696.194908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.194908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.194908 (E_RNA) where: Base-Base interactions energy: -1820.689 where: short stacking energy: -807.248 Base-Backbone interact. energy: 1.021 local terms energy: -876.527725 where: bonds (distance) C4'-P energy: -163.108 bonds (distance) P-C4' energy: -156.081 flat angles C4'-P-C4' energy: -187.928 flat angles P-C4'-P energy: -125.184 tors. eta vs tors. theta energy: -244.227 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: 4, replica: 9 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -2596.724016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.724016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.724016 (E_RNA) where: Base-Base interactions energy: -1803.911 where: short stacking energy: -769.345 Base-Backbone interact. energy: -5.644 local terms energy: -787.169643 where: bonds (distance) C4'-P energy: -135.638 bonds (distance) P-C4' energy: -156.656 flat angles C4'-P-C4' energy: -173.961 flat angles P-C4'-P energy: -108.662 tors. eta vs tors. theta energy: -212.252 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: 353 Temperature: 1.100000 Total energy: -2468.680889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.680889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.680889 (E_RNA) where: Base-Base interactions energy: -1717.763 where: short stacking energy: -688.478 Base-Backbone interact. energy: 3.014 local terms energy: -753.932112 where: bonds (distance) C4'-P energy: -145.396 bonds (distance) P-C4' energy: -147.649 flat angles C4'-P-C4' energy: -165.189 flat angles P-C4'-P energy: -102.382 tors. eta vs tors. theta energy: -193.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -2371.250157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.250157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.250157 (E_RNA) where: Base-Base interactions energy: -1647.219 where: short stacking energy: -720.616 Base-Backbone interact. energy: 6.261 local terms energy: -730.291643 where: bonds (distance) C4'-P energy: -141.969 bonds (distance) P-C4' energy: -146.273 flat angles C4'-P-C4' energy: -160.907 flat angles P-C4'-P energy: -94.286 tors. eta vs tors. theta energy: -186.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -2095.478391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.478391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.478391 (E_RNA) where: Base-Base interactions energy: -1427.072 where: short stacking energy: -614.517 Base-Backbone interact. energy: 2.924 local terms energy: -671.330026 where: bonds (distance) C4'-P energy: -133.685 bonds (distance) P-C4' energy: -115.613 flat angles C4'-P-C4' energy: -152.132 flat angles P-C4'-P energy: -111.388 tors. eta vs tors. theta energy: -158.512 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: 2 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1722.735543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.735543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.735543 (E_RNA) where: Base-Base interactions energy: -1142.749 where: short stacking energy: -508.364 Base-Backbone interact. energy: 1.380 local terms energy: -581.367074 where: bonds (distance) C4'-P energy: -112.581 bonds (distance) P-C4' energy: -132.723 flat angles C4'-P-C4' energy: -148.199 flat angles P-C4'-P energy: -79.413 tors. eta vs tors. theta energy: -108.451 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: 9, replica: 1 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -1402.630476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.630476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.630476 (E_RNA) where: Base-Base interactions energy: -867.989 where: short stacking energy: -430.860 Base-Backbone interact. energy: -4.578 local terms energy: -530.063162 where: bonds (distance) C4'-P energy: -113.023 bonds (distance) P-C4' energy: -124.615 flat angles C4'-P-C4' energy: -143.957 flat angles P-C4'-P energy: -91.711 tors. eta vs tors. theta energy: -56.756 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: 10, replica: 3 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -925.548892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.548892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.548892 (E_RNA) where: Base-Base interactions energy: -508.666 where: short stacking energy: -256.846 Base-Backbone interact. energy: -2.399 local terms energy: -414.483867 where: bonds (distance) C4'-P energy: -115.450 bonds (distance) P-C4' energy: -118.708 flat angles C4'-P-C4' energy: -115.135 flat angles P-C4'-P energy: -52.038 tors. eta vs tors. theta energy: -13.153 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: 1, replica: 6 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -2924.322110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.322110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.322110 (E_RNA) where: Base-Base interactions energy: -2005.749 where: short stacking energy: -866.924 Base-Backbone interact. energy: -5.099 local terms energy: -913.474480 where: bonds (distance) C4'-P energy: -169.784 bonds (distance) P-C4' energy: -164.211 flat angles C4'-P-C4' energy: -181.409 flat angles P-C4'-P energy: -125.159 tors. eta vs tors. theta energy: -272.911 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: 10 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -2846.751224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.751224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.751224 (E_RNA) where: Base-Base interactions energy: -2046.332 where: short stacking energy: -845.571 Base-Backbone interact. energy: -1.966 local terms energy: -798.452947 where: bonds (distance) C4'-P energy: -129.390 bonds (distance) P-C4' energy: -151.751 flat angles C4'-P-C4' energy: -171.495 flat angles P-C4'-P energy: -113.924 tors. eta vs tors. theta energy: -231.894 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: 3, replica: 7 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2637.564158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.564158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.564158 (E_RNA) where: Base-Base interactions energy: -1806.307 where: short stacking energy: -790.239 Base-Backbone interact. energy: -2.932 local terms energy: -828.325518 where: bonds (distance) C4'-P energy: -153.040 bonds (distance) P-C4' energy: -148.193 flat angles C4'-P-C4' energy: -174.706 flat angles P-C4'-P energy: -116.567 tors. eta vs tors. theta energy: -235.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -2572.037746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.037746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.037746 (E_RNA) where: Base-Base interactions energy: -1789.976 where: short stacking energy: -786.382 Base-Backbone interact. energy: 2.594 local terms energy: -784.655439 where: bonds (distance) C4'-P energy: -152.304 bonds (distance) P-C4' energy: -123.342 flat angles C4'-P-C4' energy: -176.500 flat angles P-C4'-P energy: -116.105 tors. eta vs tors. theta energy: -216.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -2463.996012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.996012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.996012 (E_RNA) where: Base-Base interactions energy: -1709.802 where: short stacking energy: -744.803 Base-Backbone interact. energy: -0.121 local terms energy: -754.072717 where: bonds (distance) C4'-P energy: -141.940 bonds (distance) P-C4' energy: -150.642 flat angles C4'-P-C4' energy: -163.735 flat angles P-C4'-P energy: -96.345 tors. eta vs tors. theta energy: -201.411 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: 6, replica: 4 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -2332.405342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.405342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.405342 (E_RNA) where: Base-Base interactions energy: -1612.207 where: short stacking energy: -689.217 Base-Backbone interact. energy: -0.393 local terms energy: -719.805471 where: bonds (distance) C4'-P energy: -137.695 bonds (distance) P-C4' energy: -143.965 flat angles C4'-P-C4' energy: -156.638 flat angles P-C4'-P energy: -88.462 tors. eta vs tors. theta energy: -193.045 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: 8 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -2156.186263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.186263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.186263 (E_RNA) where: Base-Base interactions energy: -1497.871 where: short stacking energy: -650.277 Base-Backbone interact. energy: 7.381 local terms energy: -665.696791 where: bonds (distance) C4'-P energy: -135.125 bonds (distance) P-C4' energy: -144.453 flat angles C4'-P-C4' energy: -135.538 flat angles P-C4'-P energy: -82.130 tors. eta vs tors. theta energy: -168.452 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: 2 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1755.014917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.014917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.014917 (E_RNA) where: Base-Base interactions energy: -1177.266 where: short stacking energy: -535.319 Base-Backbone interact. energy: -3.268 local terms energy: -574.481647 where: bonds (distance) C4'-P energy: -106.622 bonds (distance) P-C4' energy: -132.430 flat angles C4'-P-C4' energy: -145.400 flat angles P-C4'-P energy: -84.947 tors. eta vs tors. theta energy: -105.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -1411.430980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.430980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.430980 (E_RNA) where: Base-Base interactions energy: -912.365 where: short stacking energy: -393.620 Base-Backbone interact. energy: -2.054 local terms energy: -497.012242 where: bonds (distance) C4'-P energy: -121.666 bonds (distance) P-C4' energy: -125.526 flat angles C4'-P-C4' energy: -106.506 flat angles P-C4'-P energy: -73.630 tors. eta vs tors. theta energy: -69.685 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: 3 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -951.766201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.766201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.766201 (E_RNA) where: Base-Base interactions energy: -519.490 where: short stacking energy: -299.025 Base-Backbone interact. energy: -1.621 local terms energy: -430.655080 where: bonds (distance) C4'-P energy: -116.531 bonds (distance) P-C4' energy: -120.294 flat angles C4'-P-C4' energy: -115.315 flat angles P-C4'-P energy: -62.644 tors. eta vs tors. theta energy: -15.871 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: 6 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -2935.185935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.185935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.185935 (E_RNA) where: Base-Base interactions energy: -2000.925 where: short stacking energy: -882.915 Base-Backbone interact. energy: -4.896 local terms energy: -929.364335 where: bonds (distance) C4'-P energy: -166.117 bonds (distance) P-C4' energy: -184.931 flat angles C4'-P-C4' energy: -175.490 flat angles P-C4'-P energy: -137.659 tors. eta vs tors. theta energy: -265.168 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: 2, replica: 10 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -2861.257412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.257412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.257412 (E_RNA) where: Base-Base interactions energy: -2017.411 where: short stacking energy: -845.165 Base-Backbone interact. energy: -1.198 local terms energy: -842.647480 where: bonds (distance) C4'-P energy: -140.565 bonds (distance) P-C4' energy: -165.007 flat angles C4'-P-C4' energy: -180.610 flat angles P-C4'-P energy: -120.046 tors. eta vs tors. theta energy: -236.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2698.976261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.976261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.976261 (E_RNA) where: Base-Base interactions energy: -1867.313 where: short stacking energy: -819.421 Base-Backbone interact. energy: -0.818 local terms energy: -830.845622 where: bonds (distance) C4'-P energy: -153.633 bonds (distance) P-C4' energy: -153.808 flat angles C4'-P-C4' energy: -166.285 flat angles P-C4'-P energy: -116.982 tors. eta vs tors. theta energy: -240.137 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: 4, replica: 9 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -2618.833854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.833854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.833854 (E_RNA) where: Base-Base interactions energy: -1833.987 where: short stacking energy: -785.616 Base-Backbone interact. energy: -3.598 local terms energy: -781.248740 where: bonds (distance) C4'-P energy: -146.407 bonds (distance) P-C4' energy: -143.520 flat angles C4'-P-C4' energy: -183.959 flat angles P-C4'-P energy: -108.838 tors. eta vs tors. theta energy: -198.526 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: 355 Temperature: 1.100000 Total energy: -2419.907733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.907733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.907733 (E_RNA) where: Base-Base interactions energy: -1654.253 where: short stacking energy: -714.208 Base-Backbone interact. energy: -4.548 local terms energy: -761.106823 where: bonds (distance) C4'-P energy: -150.758 bonds (distance) P-C4' energy: -138.762 flat angles C4'-P-C4' energy: -161.318 flat angles P-C4'-P energy: -104.263 tors. eta vs tors. theta energy: -206.007 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: 6, replica: 4 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -2406.851596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.851596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.851596 (E_RNA) where: Base-Base interactions energy: -1605.789 where: short stacking energy: -704.775 Base-Backbone interact. energy: 0.786 local terms energy: -801.848377 where: bonds (distance) C4'-P energy: -155.279 bonds (distance) P-C4' energy: -155.289 flat angles C4'-P-C4' energy: -175.068 flat angles P-C4'-P energy: -115.697 tors. eta vs tors. theta energy: -200.516 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: 7, replica: 8 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -2158.675837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.675837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.675837 (E_RNA) where: Base-Base interactions energy: -1499.333 where: short stacking energy: -670.650 Base-Backbone interact. energy: -1.992 local terms energy: -657.350360 where: bonds (distance) C4'-P energy: -120.346 bonds (distance) P-C4' energy: -142.698 flat angles C4'-P-C4' energy: -149.138 flat angles P-C4'-P energy: -77.554 tors. eta vs tors. theta energy: -167.614 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: 8, replica: 2 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1666.354996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.354996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.354996 (E_RNA) where: Base-Base interactions energy: -1116.636 where: short stacking energy: -485.359 Base-Backbone interact. energy: -3.185 local terms energy: -546.534084 where: bonds (distance) C4'-P energy: -120.813 bonds (distance) P-C4' energy: -125.347 flat angles C4'-P-C4' energy: -140.974 flat angles P-C4'-P energy: -62.007 tors. eta vs tors. theta energy: -97.393 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: 1 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -1359.617262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.617262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.617262 (E_RNA) where: Base-Base interactions energy: -908.439 where: short stacking energy: -425.727 Base-Backbone interact. energy: -1.632 local terms energy: -449.546949 where: bonds (distance) C4'-P energy: -114.232 bonds (distance) P-C4' energy: -116.170 flat angles C4'-P-C4' energy: -112.014 flat angles P-C4'-P energy: -47.553 tors. eta vs tors. theta energy: -59.578 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: 10, replica: 3 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -914.752375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.752375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.752375 (E_RNA) where: Base-Base interactions energy: -489.572 where: short stacking energy: -304.098 Base-Backbone interact. energy: 5.829 local terms energy: -431.010303 where: bonds (distance) C4'-P energy: -103.658 bonds (distance) P-C4' energy: -140.499 flat angles C4'-P-C4' energy: -117.071 flat angles P-C4'-P energy: -59.553 tors. eta vs tors. theta energy: -10.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -2952.991820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.991820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.991820 (E_RNA) where: Base-Base interactions energy: -2055.241 where: short stacking energy: -887.689 Base-Backbone interact. energy: -2.204 local terms energy: -895.546546 where: bonds (distance) C4'-P energy: -155.659 bonds (distance) P-C4' energy: -158.063 flat angles C4'-P-C4' energy: -196.661 flat angles P-C4'-P energy: -130.962 tors. eta vs tors. theta energy: -254.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -2834.560756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.560756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.560756 (E_RNA) where: Base-Base interactions energy: -1991.025 where: short stacking energy: -846.289 Base-Backbone interact. energy: -4.847 local terms energy: -838.688797 where: bonds (distance) C4'-P energy: -165.047 bonds (distance) P-C4' energy: -151.587 flat angles C4'-P-C4' energy: -178.233 flat angles P-C4'-P energy: -122.898 tors. eta vs tors. theta energy: -220.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -2654.513726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.513726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.513726 (E_RNA) where: Base-Base interactions energy: -1809.947 where: short stacking energy: -781.133 Base-Backbone interact. energy: 0.832 local terms energy: -845.399005 where: bonds (distance) C4'-P energy: -159.032 bonds (distance) P-C4' energy: -146.267 flat angles C4'-P-C4' energy: -186.792 flat angles P-C4'-P energy: -117.586 tors. eta vs tors. theta energy: -235.722 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: 9 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -2588.576146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.576146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.576146 (E_RNA) where: Base-Base interactions energy: -1783.244 where: short stacking energy: -786.548 Base-Backbone interact. energy: -1.520 local terms energy: -803.812003 where: bonds (distance) C4'-P energy: -151.297 bonds (distance) P-C4' energy: -155.074 flat angles C4'-P-C4' energy: -165.385 flat angles P-C4'-P energy: -112.070 tors. eta vs tors. theta energy: -219.987 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: 4 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -2493.183798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.183798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.183798 (E_RNA) where: Base-Base interactions energy: -1704.658 where: short stacking energy: -743.430 Base-Backbone interact. energy: -4.519 local terms energy: -784.006648 where: bonds (distance) C4'-P energy: -147.399 bonds (distance) P-C4' energy: -134.049 flat angles C4'-P-C4' energy: -168.756 flat angles P-C4'-P energy: -115.856 tors. eta vs tors. theta energy: -217.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -2397.800119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.800119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.800119 (E_RNA) where: Base-Base interactions energy: -1708.380 where: short stacking energy: -718.789 Base-Backbone interact. energy: 1.459 local terms energy: -690.879190 where: bonds (distance) C4'-P energy: -101.179 bonds (distance) P-C4' energy: -127.052 flat angles C4'-P-C4' energy: -160.550 flat angles P-C4'-P energy: -111.846 tors. eta vs tors. theta energy: -190.251 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: 7, replica: 8 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -2103.135825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.135825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.135825 (E_RNA) where: Base-Base interactions energy: -1468.241 where: short stacking energy: -622.402 Base-Backbone interact. energy: 4.635 local terms energy: -639.529508 where: bonds (distance) C4'-P energy: -128.491 bonds (distance) P-C4' energy: -125.877 flat angles C4'-P-C4' energy: -145.476 flat angles P-C4'-P energy: -89.081 tors. eta vs tors. theta energy: -150.605 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: 8, replica: 2 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1650.646661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.646661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.646661 (E_RNA) where: Base-Base interactions energy: -1095.607 where: short stacking energy: -492.191 Base-Backbone interact. energy: -4.645 local terms energy: -550.394460 where: bonds (distance) C4'-P energy: -126.901 bonds (distance) P-C4' energy: -137.263 flat angles C4'-P-C4' energy: -138.125 flat angles P-C4'-P energy: -75.461 tors. eta vs tors. theta energy: -72.644 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: 9, replica: 1 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -1331.506312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.506312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.506312 (E_RNA) where: Base-Base interactions energy: -824.961 where: short stacking energy: -406.499 Base-Backbone interact. energy: -1.974 local terms energy: -504.571790 where: bonds (distance) C4'-P energy: -114.194 bonds (distance) P-C4' energy: -149.951 flat angles C4'-P-C4' energy: -112.716 flat angles P-C4'-P energy: -70.704 tors. eta vs tors. theta energy: -57.008 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: 10, replica: 3 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -892.141688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.141688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.141688 (E_RNA) where: Base-Base interactions energy: -450.539 where: short stacking energy: -254.650 Base-Backbone interact. energy: -0.478 local terms energy: -441.124444 where: bonds (distance) C4'-P energy: -126.073 bonds (distance) P-C4' energy: -144.068 flat angles C4'-P-C4' energy: -120.578 flat angles P-C4'-P energy: -60.354 tors. eta vs tors. theta energy: 9.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -2948.113941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.113941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.113941 (E_RNA) where: Base-Base interactions energy: -2036.048 where: short stacking energy: -871.835 Base-Backbone interact. energy: -4.594 local terms energy: -907.471852 where: bonds (distance) C4'-P energy: -166.297 bonds (distance) P-C4' energy: -161.783 flat angles C4'-P-C4' energy: -185.703 flat angles P-C4'-P energy: -135.668 tors. eta vs tors. theta energy: -258.019 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: 10 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -2870.661197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.661197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.661197 (E_RNA) where: Base-Base interactions energy: -2008.016 where: short stacking energy: -855.324 Base-Backbone interact. energy: -4.229 local terms energy: -858.416118 where: bonds (distance) C4'-P energy: -161.609 bonds (distance) P-C4' energy: -155.675 flat angles C4'-P-C4' energy: -184.474 flat angles P-C4'-P energy: -117.302 tors. eta vs tors. theta energy: -239.357 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: 3, replica: 7 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2663.049130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.049130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.049130 (E_RNA) where: Base-Base interactions energy: -1815.728 where: short stacking energy: -816.635 Base-Backbone interact. energy: -6.028 local terms energy: -841.293517 where: bonds (distance) C4'-P energy: -148.932 bonds (distance) P-C4' energy: -151.656 flat angles C4'-P-C4' energy: -190.483 flat angles P-C4'-P energy: -117.617 tors. eta vs tors. theta energy: -232.605 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: 4, replica: 9 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -2582.780047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.780047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.780047 (E_RNA) where: Base-Base interactions energy: -1821.498 where: short stacking energy: -803.274 Base-Backbone interact. energy: 1.264 local terms energy: -762.546066 where: bonds (distance) C4'-P energy: -126.766 bonds (distance) P-C4' energy: -144.413 flat angles C4'-P-C4' energy: -158.356 flat angles P-C4'-P energy: -106.345 tors. eta vs tors. theta energy: -226.666 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: 5, replica: 4 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -2535.181248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.181248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.181248 (E_RNA) where: Base-Base interactions energy: -1745.978 where: short stacking energy: -768.925 Base-Backbone interact. energy: -5.764 local terms energy: -783.438956 where: bonds (distance) C4'-P energy: -136.022 bonds (distance) P-C4' energy: -143.247 flat angles C4'-P-C4' energy: -178.538 flat angles P-C4'-P energy: -113.636 tors. eta vs tors. theta energy: -211.996 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: 357 Temperature: 1.150000 Total energy: -2333.313654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.313654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.313654 (E_RNA) where: Base-Base interactions energy: -1618.587 where: short stacking energy: -679.902 Base-Backbone interact. energy: -4.028 local terms energy: -710.698945 where: bonds (distance) C4'-P energy: -138.666 bonds (distance) P-C4' energy: -127.351 flat angles C4'-P-C4' energy: -159.741 flat angles P-C4'-P energy: -93.758 tors. eta vs tors. theta energy: -191.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -2155.438865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.438865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.438865 (E_RNA) where: Base-Base interactions energy: -1483.312 where: short stacking energy: -645.638 Base-Backbone interact. energy: 1.210 local terms energy: -673.336608 where: bonds (distance) C4'-P energy: -125.318 bonds (distance) P-C4' energy: -137.229 flat angles C4'-P-C4' energy: -145.272 flat angles P-C4'-P energy: -100.309 tors. eta vs tors. theta energy: -165.210 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: 8, replica: 2 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1690.601267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.601267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.601267 (E_RNA) where: Base-Base interactions energy: -1146.680 where: short stacking energy: -493.842 Base-Backbone interact. energy: 10.967 local terms energy: -554.889167 where: bonds (distance) C4'-P energy: -118.370 bonds (distance) P-C4' energy: -125.237 flat angles C4'-P-C4' energy: -141.945 flat angles P-C4'-P energy: -61.628 tors. eta vs tors. theta energy: -107.709 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: 1 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -1352.407794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.407794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.407794 (E_RNA) where: Base-Base interactions energy: -864.338 where: short stacking energy: -391.805 Base-Backbone interact. energy: 2.723 local terms energy: -490.792769 where: bonds (distance) C4'-P energy: -122.878 bonds (distance) P-C4' energy: -136.088 flat angles C4'-P-C4' energy: -120.725 flat angles P-C4'-P energy: -67.498 tors. eta vs tors. theta energy: -43.605 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: 3 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -886.956093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.956093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.956093 (E_RNA) where: Base-Base interactions energy: -444.332 where: short stacking energy: -255.678 Base-Backbone interact. energy: 1.629 local terms energy: -444.253214 where: bonds (distance) C4'-P energy: -131.344 bonds (distance) P-C4' energy: -139.580 flat angles C4'-P-C4' energy: -117.769 flat angles P-C4'-P energy: -68.756 tors. eta vs tors. theta energy: 13.196 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: 1, replica: 6 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -2930.755730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.755730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.755730 (E_RNA) where: Base-Base interactions energy: -2040.904 where: short stacking energy: -880.017 Base-Backbone interact. energy: 2.738 local terms energy: -892.589829 where: bonds (distance) C4'-P energy: -170.911 bonds (distance) P-C4' energy: -155.929 flat angles C4'-P-C4' energy: -185.465 flat angles P-C4'-P energy: -122.382 tors. eta vs tors. theta energy: -257.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -2842.970010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.970010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.970010 (E_RNA) where: Base-Base interactions energy: -2016.715 where: short stacking energy: -829.224 Base-Backbone interact. energy: -7.879 local terms energy: -818.376721 where: bonds (distance) C4'-P energy: -181.179 bonds (distance) P-C4' energy: -145.377 flat angles C4'-P-C4' energy: -175.390 flat angles P-C4'-P energy: -114.186 tors. eta vs tors. theta energy: -202.244 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: 7 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2685.717596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.717596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.717596 (E_RNA) where: Base-Base interactions energy: -1839.538 where: short stacking energy: -828.401 Base-Backbone interact. energy: -3.531 local terms energy: -842.648747 where: bonds (distance) C4'-P energy: -164.588 bonds (distance) P-C4' energy: -158.717 flat angles C4'-P-C4' energy: -175.703 flat angles P-C4'-P energy: -103.941 tors. eta vs tors. theta energy: -239.699 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: 4, replica: 9 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -2583.910886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.910886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.910886 (E_RNA) where: Base-Base interactions energy: -1804.473 where: short stacking energy: -766.980 Base-Backbone interact. energy: -2.376 local terms energy: -777.062241 where: bonds (distance) C4'-P energy: -153.636 bonds (distance) P-C4' energy: -142.684 flat angles C4'-P-C4' energy: -166.601 flat angles P-C4'-P energy: -117.854 tors. eta vs tors. theta energy: -196.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -2497.830372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.830372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.830372 (E_RNA) where: Base-Base interactions energy: -1721.649 where: short stacking energy: -734.001 Base-Backbone interact. energy: -4.510 local terms energy: -771.671527 where: bonds (distance) C4'-P energy: -155.221 bonds (distance) P-C4' energy: -144.573 flat angles C4'-P-C4' energy: -159.360 flat angles P-C4'-P energy: -111.269 tors. eta vs tors. theta energy: -201.248 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: 5 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -2267.000296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.000296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.000296 (E_RNA) where: Base-Base interactions energy: -1544.039 where: short stacking energy: -649.283 Base-Backbone interact. energy: -2.649 local terms energy: -720.312103 where: bonds (distance) C4'-P energy: -125.254 bonds (distance) P-C4' energy: -151.053 flat angles C4'-P-C4' energy: -164.848 flat angles P-C4'-P energy: -88.756 tors. eta vs tors. theta energy: -190.401 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: 8 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -2106.007915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.007915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.007915 (E_RNA) where: Base-Base interactions energy: -1450.355 where: short stacking energy: -633.197 Base-Backbone interact. energy: -1.660 local terms energy: -653.992302 where: bonds (distance) C4'-P energy: -123.178 bonds (distance) P-C4' energy: -124.658 flat angles C4'-P-C4' energy: -156.437 flat angles P-C4'-P energy: -91.337 tors. eta vs tors. theta energy: -158.383 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: 8, replica: 2 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1688.200040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.200040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.200040 (E_RNA) where: Base-Base interactions energy: -1074.296 where: short stacking energy: -496.877 Base-Backbone interact. energy: 4.772 local terms energy: -618.675762 where: bonds (distance) C4'-P energy: -136.339 bonds (distance) P-C4' energy: -152.013 flat angles C4'-P-C4' energy: -148.400 flat angles P-C4'-P energy: -71.412 tors. eta vs tors. theta energy: -110.512 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: 9, replica: 1 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -1362.272615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.272615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.272615 (E_RNA) where: Base-Base interactions energy: -857.333 where: short stacking energy: -403.147 Base-Backbone interact. energy: 5.194 local terms energy: -510.134145 where: bonds (distance) C4'-P energy: -131.824 bonds (distance) P-C4' energy: -131.586 flat angles C4'-P-C4' energy: -118.834 flat angles P-C4'-P energy: -79.562 tors. eta vs tors. theta energy: -48.328 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: 3 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -901.474047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.474047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.474047 (E_RNA) where: Base-Base interactions energy: -465.924 where: short stacking energy: -237.034 Base-Backbone interact. energy: -0.666 local terms energy: -434.883581 where: bonds (distance) C4'-P energy: -115.697 bonds (distance) P-C4' energy: -120.557 flat angles C4'-P-C4' energy: -136.610 flat angles P-C4'-P energy: -70.854 tors. eta vs tors. theta energy: 8.834 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: 6 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -2947.304274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.304274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.304274 (E_RNA) where: Base-Base interactions energy: -2043.415 where: short stacking energy: -886.968 Base-Backbone interact. energy: -1.725 local terms energy: -902.164526 where: bonds (distance) C4'-P energy: -161.882 bonds (distance) P-C4' energy: -155.595 flat angles C4'-P-C4' energy: -191.099 flat angles P-C4'-P energy: -117.477 tors. eta vs tors. theta energy: -276.112 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: 10 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -2879.623274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.623274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.623274 (E_RNA) where: Base-Base interactions energy: -2066.952 where: short stacking energy: -847.135 Base-Backbone interact. energy: -6.149 local terms energy: -806.522091 where: bonds (distance) C4'-P energy: -154.550 bonds (distance) P-C4' energy: -144.343 flat angles C4'-P-C4' energy: -178.681 flat angles P-C4'-P energy: -106.833 tors. eta vs tors. theta energy: -222.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2664.195845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.195845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.195845 (E_RNA) where: Base-Base interactions energy: -1804.144 where: short stacking energy: -788.474 Base-Backbone interact. energy: -3.029 local terms energy: -857.023262 where: bonds (distance) C4'-P energy: -157.906 bonds (distance) P-C4' energy: -149.926 flat angles C4'-P-C4' energy: -186.240 flat angles P-C4'-P energy: -123.283 tors. eta vs tors. theta energy: -239.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -2560.580054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.580054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.580054 (E_RNA) where: Base-Base interactions energy: -1765.646 where: short stacking energy: -755.115 Base-Backbone interact. energy: -1.334 local terms energy: -793.600254 where: bonds (distance) C4'-P energy: -150.482 bonds (distance) P-C4' energy: -147.940 flat angles C4'-P-C4' energy: -172.893 flat angles P-C4'-P energy: -115.325 tors. eta vs tors. theta energy: -206.960 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: 4 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -2522.109825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.109825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.109825 (E_RNA) where: Base-Base interactions energy: -1778.522 where: short stacking energy: -759.965 Base-Backbone interact. energy: 0.410 local terms energy: -743.997292 where: bonds (distance) C4'-P energy: -138.939 bonds (distance) P-C4' energy: -128.462 flat angles C4'-P-C4' energy: -171.713 flat angles P-C4'-P energy: -93.360 tors. eta vs tors. theta energy: -211.523 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: 6, replica: 5 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -2279.381337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.381337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.381337 (E_RNA) where: Base-Base interactions energy: -1551.447 where: short stacking energy: -678.608 Base-Backbone interact. energy: -1.927 local terms energy: -726.006659 where: bonds (distance) C4'-P energy: -125.431 bonds (distance) P-C4' energy: -144.505 flat angles C4'-P-C4' energy: -175.450 flat angles P-C4'-P energy: -104.008 tors. eta vs tors. theta energy: -176.612 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: 8 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -2043.891200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.891200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.891200 (E_RNA) where: Base-Base interactions energy: -1375.803 where: short stacking energy: -572.522 Base-Backbone interact. energy: 0.483 local terms energy: -668.571137 where: bonds (distance) C4'-P energy: -124.245 bonds (distance) P-C4' energy: -134.753 flat angles C4'-P-C4' energy: -147.191 flat angles P-C4'-P energy: -98.968 tors. eta vs tors. theta energy: -163.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1745.185827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.185827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.185827 (E_RNA) where: Base-Base interactions energy: -1138.613 where: short stacking energy: -492.037 Base-Backbone interact. energy: -0.397 local terms energy: -606.176276 where: bonds (distance) C4'-P energy: -143.007 bonds (distance) P-C4' energy: -131.579 flat angles C4'-P-C4' energy: -133.910 flat angles P-C4'-P energy: -94.787 tors. eta vs tors. theta energy: -102.892 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: 1 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -1330.525021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.525021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.525021 (E_RNA) where: Base-Base interactions energy: -805.184 where: short stacking energy: -360.837 Base-Backbone interact. energy: 1.105 local terms energy: -526.445315 where: bonds (distance) C4'-P energy: -131.072 bonds (distance) P-C4' energy: -127.167 flat angles C4'-P-C4' energy: -147.858 flat angles P-C4'-P energy: -81.419 tors. eta vs tors. theta energy: -38.929 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: 10, replica: 3 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -980.903193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.903193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.903193 (E_RNA) where: Base-Base interactions energy: -520.114 where: short stacking energy: -284.817 Base-Backbone interact. energy: 7.316 local terms energy: -468.105340 where: bonds (distance) C4'-P energy: -133.739 bonds (distance) P-C4' energy: -146.125 flat angles C4'-P-C4' energy: -118.673 flat angles P-C4'-P energy: -58.943 tors. eta vs tors. theta energy: -10.626 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: 6 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -2972.070266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.070266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.070266 (E_RNA) where: Base-Base interactions energy: -2061.652 where: short stacking energy: -882.637 Base-Backbone interact. energy: -2.993 local terms energy: -907.424418 where: bonds (distance) C4'-P energy: -144.281 bonds (distance) P-C4' energy: -172.369 flat angles C4'-P-C4' energy: -184.815 flat angles P-C4'-P energy: -137.199 tors. eta vs tors. theta energy: -268.761 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: 2, replica: 10 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -2869.086034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.086034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.086034 (E_RNA) where: Base-Base interactions energy: -2011.760 where: short stacking energy: -829.290 Base-Backbone interact. energy: -2.310 local terms energy: -855.016496 where: bonds (distance) C4'-P energy: -159.454 bonds (distance) P-C4' energy: -165.583 flat angles C4'-P-C4' energy: -170.721 flat angles P-C4'-P energy: -128.301 tors. eta vs tors. theta energy: -230.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -2707.996250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.996250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.996250 (E_RNA) where: Base-Base interactions energy: -1849.340 where: short stacking energy: -802.857 Base-Backbone interact. energy: -2.361 local terms energy: -856.295753 where: bonds (distance) C4'-P energy: -155.304 bonds (distance) P-C4' energy: -150.983 flat angles C4'-P-C4' energy: -177.714 flat angles P-C4'-P energy: -122.630 tors. eta vs tors. theta energy: -249.665 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: 9 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -2582.865433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.865433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.865433 (E_RNA) where: Base-Base interactions energy: -1800.760 where: short stacking energy: -773.582 Base-Backbone interact. energy: 1.250 local terms energy: -783.355054 where: bonds (distance) C4'-P energy: -139.619 bonds (distance) P-C4' energy: -162.507 flat angles C4'-P-C4' energy: -158.892 flat angles P-C4'-P energy: -110.497 tors. eta vs tors. theta energy: -211.840 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: 4 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -2503.698736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.698736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.698736 (E_RNA) where: Base-Base interactions energy: -1719.918 where: short stacking energy: -737.484 Base-Backbone interact. energy: -1.038 local terms energy: -782.742322 where: bonds (distance) C4'-P energy: -143.311 bonds (distance) P-C4' energy: -143.716 flat angles C4'-P-C4' energy: -174.526 flat angles P-C4'-P energy: -109.025 tors. eta vs tors. theta energy: -212.165 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: 6, replica: 5 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -2245.066535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.066535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.066535 (E_RNA) where: Base-Base interactions energy: -1518.415 where: short stacking energy: -665.994 Base-Backbone interact. energy: 0.172 local terms energy: -726.823283 where: bonds (distance) C4'-P energy: -148.176 bonds (distance) P-C4' energy: -151.890 flat angles C4'-P-C4' energy: -152.595 flat angles P-C4'-P energy: -91.190 tors. eta vs tors. theta energy: -182.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -2124.031464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.031464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.031464 (E_RNA) where: Base-Base interactions energy: -1428.758 where: short stacking energy: -605.076 Base-Backbone interact. energy: 4.194 local terms energy: -699.467269 where: bonds (distance) C4'-P energy: -134.288 bonds (distance) P-C4' energy: -148.424 flat angles C4'-P-C4' energy: -156.591 flat angles P-C4'-P energy: -100.093 tors. eta vs tors. theta energy: -160.072 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: 8, replica: 2 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1778.411285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.411285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.411285 (E_RNA) where: Base-Base interactions energy: -1195.872 where: short stacking energy: -529.570 Base-Backbone interact. energy: 0.242 local terms energy: -582.781691 where: bonds (distance) C4'-P energy: -124.992 bonds (distance) P-C4' energy: -120.420 flat angles C4'-P-C4' energy: -135.733 flat angles P-C4'-P energy: -79.567 tors. eta vs tors. theta energy: -122.069 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: 9, replica: 1 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -1375.770354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.770354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.770354 (E_RNA) where: Base-Base interactions energy: -879.308 where: short stacking energy: -398.369 Base-Backbone interact. energy: -0.057 local terms energy: -496.405430 where: bonds (distance) C4'-P energy: -112.530 bonds (distance) P-C4' energy: -138.944 flat angles C4'-P-C4' energy: -127.828 flat angles P-C4'-P energy: -62.329 tors. eta vs tors. theta energy: -54.775 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: 3 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -955.913437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.913437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.913437 (E_RNA) where: Base-Base interactions energy: -515.931 where: short stacking energy: -256.462 Base-Backbone interact. energy: 4.046 local terms energy: -444.028400 where: bonds (distance) C4'-P energy: -125.455 bonds (distance) P-C4' energy: -133.208 flat angles C4'-P-C4' energy: -113.444 flat angles P-C4'-P energy: -65.689 tors. eta vs tors. theta energy: -6.232 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: 1, replica: 6 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -2935.321992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.321992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.321992 (E_RNA) where: Base-Base interactions energy: -2075.485 where: short stacking energy: -880.140 Base-Backbone interact. energy: -1.187 local terms energy: -858.649349 where: bonds (distance) C4'-P energy: -146.579 bonds (distance) P-C4' energy: -142.691 flat angles C4'-P-C4' energy: -176.068 flat angles P-C4'-P energy: -119.887 tors. eta vs tors. theta energy: -273.424 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: 10 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -2810.965424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.965424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.965424 (E_RNA) where: Base-Base interactions energy: -1981.086 where: short stacking energy: -829.192 Base-Backbone interact. energy: -4.906 local terms energy: -824.972797 where: bonds (distance) C4'-P energy: -135.998 bonds (distance) P-C4' energy: -157.265 flat angles C4'-P-C4' energy: -175.229 flat angles P-C4'-P energy: -116.686 tors. eta vs tors. theta energy: -239.794 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: 7 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2698.721147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.721147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.721147 (E_RNA) where: Base-Base interactions energy: -1848.304 where: short stacking energy: -806.323 Base-Backbone interact. energy: -3.219 local terms energy: -847.197505 where: bonds (distance) C4'-P energy: -156.414 bonds (distance) P-C4' energy: -156.848 flat angles C4'-P-C4' energy: -192.476 flat angles P-C4'-P energy: -108.000 tors. eta vs tors. theta energy: -233.459 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: 9 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -2575.670002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.670002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.670002 (E_RNA) where: Base-Base interactions energy: -1774.823 where: short stacking energy: -774.665 Base-Backbone interact. energy: 0.809 local terms energy: -801.656767 where: bonds (distance) C4'-P energy: -150.194 bonds (distance) P-C4' energy: -152.989 flat angles C4'-P-C4' energy: -166.695 flat angles P-C4'-P energy: -118.098 tors. eta vs tors. theta energy: -213.681 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: 361 Temperature: 1.100000 Total energy: -2506.617669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.617669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.617669 (E_RNA) where: Base-Base interactions energy: -1759.531 where: short stacking energy: -755.377 Base-Backbone interact. energy: 4.833 local terms energy: -751.918819 where: bonds (distance) C4'-P energy: -144.220 bonds (distance) P-C4' energy: -143.212 flat angles C4'-P-C4' energy: -176.199 flat angles P-C4'-P energy: -88.808 tors. eta vs tors. theta energy: -199.479 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: 5 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -2288.051904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.051904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.051904 (E_RNA) where: Base-Base interactions energy: -1563.905 where: short stacking energy: -678.018 Base-Backbone interact. energy: -1.848 local terms energy: -722.299266 where: bonds (distance) C4'-P energy: -143.739 bonds (distance) P-C4' energy: -139.734 flat angles C4'-P-C4' energy: -165.562 flat angles P-C4'-P energy: -94.412 tors. eta vs tors. theta energy: -178.852 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: 7, replica: 8 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -2111.806554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.806554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.806554 (E_RNA) where: Base-Base interactions energy: -1475.323 where: short stacking energy: -620.990 Base-Backbone interact. energy: 3.047 local terms energy: -639.530180 where: bonds (distance) C4'-P energy: -116.476 bonds (distance) P-C4' energy: -124.493 flat angles C4'-P-C4' energy: -132.662 flat angles P-C4'-P energy: -112.079 tors. eta vs tors. theta energy: -153.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1762.426126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.426126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.426126 (E_RNA) where: Base-Base interactions energy: -1151.372 where: short stacking energy: -495.658 Base-Backbone interact. energy: 9.182 local terms energy: -620.236287 where: bonds (distance) C4'-P energy: -133.728 bonds (distance) P-C4' energy: -147.842 flat angles C4'-P-C4' energy: -162.832 flat angles P-C4'-P energy: -67.967 tors. eta vs tors. theta energy: -107.867 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: 1 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -1364.457023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.457023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.457023 (E_RNA) where: Base-Base interactions energy: -882.159 where: short stacking energy: -388.088 Base-Backbone interact. energy: 8.767 local terms energy: -491.065330 where: bonds (distance) C4'-P energy: -117.029 bonds (distance) P-C4' energy: -108.918 flat angles C4'-P-C4' energy: -135.245 flat angles P-C4'-P energy: -92.833 tors. eta vs tors. theta energy: -37.039 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: 10, replica: 3 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -901.267025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.267025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.267025 (E_RNA) where: Base-Base interactions energy: -471.523 where: short stacking energy: -249.994 Base-Backbone interact. energy: 5.832 local terms energy: -435.576107 where: bonds (distance) C4'-P energy: -117.829 bonds (distance) P-C4' energy: -127.977 flat angles C4'-P-C4' energy: -102.315 flat angles P-C4'-P energy: -69.058 tors. eta vs tors. theta energy: -18.398 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: 6 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -2930.193392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.193392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.193392 (E_RNA) where: Base-Base interactions energy: -2002.893 where: short stacking energy: -904.744 Base-Backbone interact. energy: -0.602 local terms energy: -926.698125 where: bonds (distance) C4'-P energy: -160.358 bonds (distance) P-C4' energy: -169.665 flat angles C4'-P-C4' energy: -192.589 flat angles P-C4'-P energy: -135.049 tors. eta vs tors. theta energy: -269.037 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: 10 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -2830.022559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.022559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.022559 (E_RNA) where: Base-Base interactions energy: -2006.951 where: short stacking energy: -831.335 Base-Backbone interact. energy: -2.763 local terms energy: -820.309369 where: bonds (distance) C4'-P energy: -140.957 bonds (distance) P-C4' energy: -167.406 flat angles C4'-P-C4' energy: -169.445 flat angles P-C4'-P energy: -127.528 tors. eta vs tors. theta energy: -214.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -2724.639401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.639401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.639401 (E_RNA) where: Base-Base interactions energy: -1894.591 where: short stacking energy: -809.738 Base-Backbone interact. energy: -6.043 local terms energy: -824.005123 where: bonds (distance) C4'-P energy: -126.056 bonds (distance) P-C4' energy: -174.848 flat angles C4'-P-C4' energy: -173.277 flat angles P-C4'-P energy: -115.688 tors. eta vs tors. theta energy: -234.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -2561.473323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.473323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.473323 (E_RNA) where: Base-Base interactions energy: -1754.447 where: short stacking energy: -761.480 Base-Backbone interact. energy: -2.206 local terms energy: -804.820352 where: bonds (distance) C4'-P energy: -148.065 bonds (distance) P-C4' energy: -169.508 flat angles C4'-P-C4' energy: -181.192 flat angles P-C4'-P energy: -95.564 tors. eta vs tors. theta energy: -210.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -2516.046728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.046728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.046728 (E_RNA) where: Base-Base interactions energy: -1729.881 where: short stacking energy: -749.259 Base-Backbone interact. energy: -0.795 local terms energy: -785.370919 where: bonds (distance) C4'-P energy: -143.505 bonds (distance) P-C4' energy: -160.684 flat angles C4'-P-C4' energy: -165.703 flat angles P-C4'-P energy: -105.885 tors. eta vs tors. theta energy: -209.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -2278.599801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.599801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.599801 (E_RNA) where: Base-Base interactions energy: -1564.404 where: short stacking energy: -682.759 Base-Backbone interact. energy: -2.850 local terms energy: -711.345341 where: bonds (distance) C4'-P energy: -132.817 bonds (distance) P-C4' energy: -136.466 flat angles C4'-P-C4' energy: -158.290 flat angles P-C4'-P energy: -91.036 tors. eta vs tors. theta energy: -192.736 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: 8 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -2073.796724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.796724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.796724 (E_RNA) where: Base-Base interactions energy: -1401.845 where: short stacking energy: -607.835 Base-Backbone interact. energy: -1.352 local terms energy: -670.599860 where: bonds (distance) C4'-P energy: -106.714 bonds (distance) P-C4' energy: -144.576 flat angles C4'-P-C4' energy: -145.011 flat angles P-C4'-P energy: -99.244 tors. eta vs tors. theta energy: -175.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1780.299118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.299118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.299118 (E_RNA) where: Base-Base interactions energy: -1152.008 where: short stacking energy: -533.328 Base-Backbone interact. energy: -0.804 local terms energy: -627.486662 where: bonds (distance) C4'-P energy: -132.381 bonds (distance) P-C4' energy: -140.247 flat angles C4'-P-C4' energy: -143.349 flat angles P-C4'-P energy: -100.242 tors. eta vs tors. theta energy: -111.266 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: 1 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -1364.655739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.655739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.655739 (E_RNA) where: Base-Base interactions energy: -856.724 where: short stacking energy: -367.838 Base-Backbone interact. energy: -4.942 local terms energy: -502.989383 where: bonds (distance) C4'-P energy: -117.836 bonds (distance) P-C4' energy: -130.438 flat angles C4'-P-C4' energy: -136.065 flat angles P-C4'-P energy: -69.052 tors. eta vs tors. theta energy: -49.598 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: 10, replica: 3 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -930.670865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.670865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.670865 (E_RNA) where: Base-Base interactions energy: -504.335 where: short stacking energy: -296.259 Base-Backbone interact. energy: -0.899 local terms energy: -425.437472 where: bonds (distance) C4'-P energy: -117.799 bonds (distance) P-C4' energy: -141.775 flat angles C4'-P-C4' energy: -119.448 flat angles P-C4'-P energy: -39.458 tors. eta vs tors. theta energy: -6.958 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: 1, replica: 6 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -2924.269977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.269977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.269977 (E_RNA) where: Base-Base interactions energy: -2025.769 where: short stacking energy: -884.441 Base-Backbone interact. energy: 0.825 local terms energy: -899.326031 where: bonds (distance) C4'-P energy: -164.536 bonds (distance) P-C4' energy: -173.560 flat angles C4'-P-C4' energy: -180.486 flat angles P-C4'-P energy: -122.944 tors. eta vs tors. theta energy: -257.800 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: 10 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -2824.801862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.801862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.801862 (E_RNA) where: Base-Base interactions energy: -2014.141 where: short stacking energy: -832.849 Base-Backbone interact. energy: -3.719 local terms energy: -806.942365 where: bonds (distance) C4'-P energy: -136.201 bonds (distance) P-C4' energy: -151.848 flat angles C4'-P-C4' energy: -192.046 flat angles P-C4'-P energy: -108.012 tors. eta vs tors. theta energy: -218.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2717.760470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.760470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.760470 (E_RNA) where: Base-Base interactions energy: -1897.774 where: short stacking energy: -813.290 Base-Backbone interact. energy: -2.500 local terms energy: -817.486125 where: bonds (distance) C4'-P energy: -146.919 bonds (distance) P-C4' energy: -154.776 flat angles C4'-P-C4' energy: -171.127 flat angles P-C4'-P energy: -108.575 tors. eta vs tors. theta energy: -236.089 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: 9 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -2557.677816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.677816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.677816 (E_RNA) where: Base-Base interactions energy: -1764.002 where: short stacking energy: -759.806 Base-Backbone interact. energy: -1.861 local terms energy: -791.815460 where: bonds (distance) C4'-P energy: -141.186 bonds (distance) P-C4' energy: -156.584 flat angles C4'-P-C4' energy: -164.065 flat angles P-C4'-P energy: -114.400 tors. eta vs tors. theta energy: -215.580 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: 363 Temperature: 1.100000 Total energy: -2498.674816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.674816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.674816 (E_RNA) where: Base-Base interactions energy: -1758.872 where: short stacking energy: -768.870 Base-Backbone interact. energy: -2.711 local terms energy: -737.092243 where: bonds (distance) C4'-P energy: -124.412 bonds (distance) P-C4' energy: -129.145 flat angles C4'-P-C4' energy: -174.406 flat angles P-C4'-P energy: -90.243 tors. eta vs tors. theta energy: -218.887 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: 6, replica: 5 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -2228.858576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.858576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.858576 (E_RNA) where: Base-Base interactions energy: -1517.862 where: short stacking energy: -642.536 Base-Backbone interact. energy: -1.259 local terms energy: -709.737580 where: bonds (distance) C4'-P energy: -127.247 bonds (distance) P-C4' energy: -132.408 flat angles C4'-P-C4' energy: -157.507 flat angles P-C4'-P energy: -106.770 tors. eta vs tors. theta energy: -185.805 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: 7, replica: 8 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -2049.988467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.988467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.988467 (E_RNA) where: Base-Base interactions energy: -1368.590 where: short stacking energy: -608.991 Base-Backbone interact. energy: -5.957 local terms energy: -675.441409 where: bonds (distance) C4'-P energy: -120.280 bonds (distance) P-C4' energy: -159.245 flat angles C4'-P-C4' energy: -146.234 flat angles P-C4'-P energy: -85.527 tors. eta vs tors. theta energy: -164.156 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: 8, replica: 2 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1752.026461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.026461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.026461 (E_RNA) where: Base-Base interactions energy: -1158.420 where: short stacking energy: -528.498 Base-Backbone interact. energy: -1.186 local terms energy: -592.421160 where: bonds (distance) C4'-P energy: -111.042 bonds (distance) P-C4' energy: -129.646 flat angles C4'-P-C4' energy: -149.979 flat angles P-C4'-P energy: -70.338 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: 9, replica: 1 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -1375.075939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.075939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.075939 (E_RNA) where: Base-Base interactions energy: -838.018 where: short stacking energy: -389.800 Base-Backbone interact. energy: 3.404 local terms energy: -540.462270 where: bonds (distance) C4'-P energy: -130.891 bonds (distance) P-C4' energy: -151.034 flat angles C4'-P-C4' energy: -141.773 flat angles P-C4'-P energy: -76.872 tors. eta vs tors. theta energy: -39.893 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: 10, replica: 3 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -955.371101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.371101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.371101 (E_RNA) where: Base-Base interactions energy: -486.948 where: short stacking energy: -282.493 Base-Backbone interact. energy: 2.957 local terms energy: -471.380285 where: bonds (distance) C4'-P energy: -125.696 bonds (distance) P-C4' energy: -137.762 flat angles C4'-P-C4' energy: -128.575 flat angles P-C4'-P energy: -60.607 tors. eta vs tors. theta energy: -18.740 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: 1, replica: 6 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -2937.480206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.480206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.480206 (E_RNA) where: Base-Base interactions energy: -2034.985 where: short stacking energy: -867.590 Base-Backbone interact. energy: -0.214 local terms energy: -902.281830 where: bonds (distance) C4'-P energy: -163.291 bonds (distance) P-C4' energy: -159.209 flat angles C4'-P-C4' energy: -186.708 flat angles P-C4'-P energy: -135.692 tors. eta vs tors. theta energy: -257.381 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: 2, replica: 10 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -2862.737398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.737398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.737398 (E_RNA) where: Base-Base interactions energy: -2016.663 where: short stacking energy: -846.329 Base-Backbone interact. energy: -5.599 local terms energy: -840.475485 where: bonds (distance) C4'-P energy: -141.954 bonds (distance) P-C4' energy: -163.475 flat angles C4'-P-C4' energy: -175.778 flat angles P-C4'-P energy: -124.854 tors. eta vs tors. theta energy: -234.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2700.015293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.015293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.015293 (E_RNA) where: Base-Base interactions energy: -1872.332 where: short stacking energy: -829.534 Base-Backbone interact. energy: -5.975 local terms energy: -821.708935 where: bonds (distance) C4'-P energy: -149.973 bonds (distance) P-C4' energy: -149.817 flat angles C4'-P-C4' energy: -180.480 flat angles P-C4'-P energy: -107.651 tors. eta vs tors. theta energy: -233.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -2532.297434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.297434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.297434 (E_RNA) where: Base-Base interactions energy: -1758.523 where: short stacking energy: -764.525 Base-Backbone interact. energy: -7.719 local terms energy: -766.055115 where: bonds (distance) C4'-P energy: -144.595 bonds (distance) P-C4' energy: -152.165 flat angles C4'-P-C4' energy: -158.767 flat angles P-C4'-P energy: -103.435 tors. eta vs tors. theta energy: -207.094 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: 5, replica: 4 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -2549.438312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.438312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.438312 (E_RNA) where: Base-Base interactions energy: -1756.318 where: short stacking energy: -781.771 Base-Backbone interact. energy: -4.115 local terms energy: -789.005536 where: bonds (distance) C4'-P energy: -130.316 bonds (distance) P-C4' energy: -146.947 flat angles C4'-P-C4' energy: -170.031 flat angles P-C4'-P energy: -121.598 tors. eta vs tors. theta energy: -220.113 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: 6, replica: 5 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -2283.528642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.528642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.528642 (E_RNA) where: Base-Base interactions energy: -1587.501 where: short stacking energy: -686.296 Base-Backbone interact. energy: -0.567 local terms energy: -695.461218 where: bonds (distance) C4'-P energy: -121.646 bonds (distance) P-C4' energy: -140.396 flat angles C4'-P-C4' energy: -169.162 flat angles P-C4'-P energy: -91.334 tors. eta vs tors. theta energy: -172.924 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: 7, replica: 8 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -2118.320577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.320577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.320577 (E_RNA) where: Base-Base interactions energy: -1421.354 where: short stacking energy: -620.946 Base-Backbone interact. energy: -3.995 local terms energy: -692.970785 where: bonds (distance) C4'-P energy: -135.980 bonds (distance) P-C4' energy: -125.676 flat angles C4'-P-C4' energy: -162.114 flat angles P-C4'-P energy: -102.170 tors. eta vs tors. theta energy: -167.031 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: 2 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1776.235201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.235201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.235201 (E_RNA) where: Base-Base interactions energy: -1175.365 where: short stacking energy: -529.470 Base-Backbone interact. energy: 0.097 local terms energy: -600.967317 where: bonds (distance) C4'-P energy: -123.973 bonds (distance) P-C4' energy: -135.773 flat angles C4'-P-C4' energy: -151.572 flat angles P-C4'-P energy: -75.739 tors. eta vs tors. theta energy: -113.909 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: 9, replica: 1 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -1295.562077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.562077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.562077 (E_RNA) where: Base-Base interactions energy: -818.827 where: short stacking energy: -394.575 Base-Backbone interact. energy: -0.556 local terms energy: -476.179254 where: bonds (distance) C4'-P energy: -126.750 bonds (distance) P-C4' energy: -126.885 flat angles C4'-P-C4' energy: -117.163 flat angles P-C4'-P energy: -72.110 tors. eta vs tors. theta energy: -33.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -1003.069827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.069827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.069827 (E_RNA) where: Base-Base interactions energy: -557.103 where: short stacking energy: -301.923 Base-Backbone interact. energy: -3.258 local terms energy: -442.708088 where: bonds (distance) C4'-P energy: -118.733 bonds (distance) P-C4' energy: -140.913 flat angles C4'-P-C4' energy: -107.370 flat angles P-C4'-P energy: -65.066 tors. eta vs tors. theta energy: -10.625 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: 6 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -2964.835518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.835518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.835518 (E_RNA) where: Base-Base interactions energy: -2057.739 where: short stacking energy: -885.666 Base-Backbone interact. energy: -2.492 local terms energy: -904.604002 where: bonds (distance) C4'-P energy: -157.460 bonds (distance) P-C4' energy: -167.710 flat angles C4'-P-C4' energy: -186.713 flat angles P-C4'-P energy: -127.975 tors. eta vs tors. theta energy: -264.746 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: 10 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -2858.391619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.391619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.391619 (E_RNA) where: Base-Base interactions energy: -1992.735 where: short stacking energy: -846.148 Base-Backbone interact. energy: -4.314 local terms energy: -861.343182 where: bonds (distance) C4'-P energy: -160.539 bonds (distance) P-C4' energy: -161.849 flat angles C4'-P-C4' energy: -176.362 flat angles P-C4'-P energy: -118.594 tors. eta vs tors. theta energy: -243.999 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: 7 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2734.747653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.747653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.747653 (E_RNA) where: Base-Base interactions energy: -1861.682 where: short stacking energy: -836.573 Base-Backbone interact. energy: -4.480 local terms energy: -868.585609 where: bonds (distance) C4'-P energy: -158.274 bonds (distance) P-C4' energy: -151.735 flat angles C4'-P-C4' energy: -183.966 flat angles P-C4'-P energy: -117.801 tors. eta vs tors. theta energy: -256.809 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: 4, replica: 4 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -2647.736017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.736017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.736017 (E_RNA) where: Base-Base interactions energy: -1832.952 where: short stacking energy: -766.150 Base-Backbone interact. energy: -2.071 local terms energy: -812.712712 where: bonds (distance) C4'-P energy: -155.235 bonds (distance) P-C4' energy: -137.952 flat angles C4'-P-C4' energy: -169.335 flat angles P-C4'-P energy: -117.248 tors. eta vs tors. theta energy: -232.943 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: 365 Temperature: 1.100000 Total energy: -2476.464061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.464061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.464061 (E_RNA) where: Base-Base interactions energy: -1723.781 where: short stacking energy: -727.143 Base-Backbone interact. energy: -3.482 local terms energy: -749.200909 where: bonds (distance) C4'-P energy: -136.984 bonds (distance) P-C4' energy: -165.264 flat angles C4'-P-C4' energy: -143.837 flat angles P-C4'-P energy: -111.235 tors. eta vs tors. theta energy: -191.882 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: 5 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -2253.603367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.603367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.603367 (E_RNA) where: Base-Base interactions energy: -1561.409 where: short stacking energy: -655.015 Base-Backbone interact. energy: -1.590 local terms energy: -690.604496 where: bonds (distance) C4'-P energy: -132.155 bonds (distance) P-C4' energy: -126.279 flat angles C4'-P-C4' energy: -158.869 flat angles P-C4'-P energy: -109.097 tors. eta vs tors. theta energy: -164.204 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: 7, replica: 8 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -2008.201184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.201184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.201184 (E_RNA) where: Base-Base interactions energy: -1320.125 where: short stacking energy: -560.049 Base-Backbone interact. energy: -3.351 local terms energy: -684.724651 where: bonds (distance) C4'-P energy: -154.261 bonds (distance) P-C4' energy: -127.488 flat angles C4'-P-C4' energy: -150.609 flat angles P-C4'-P energy: -91.885 tors. eta vs tors. theta energy: -160.481 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: 2 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1714.453562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.453562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.453562 (E_RNA) where: Base-Base interactions energy: -1128.944 where: short stacking energy: -521.977 Base-Backbone interact. energy: -0.255 local terms energy: -585.254443 where: bonds (distance) C4'-P energy: -126.056 bonds (distance) P-C4' energy: -134.943 flat angles C4'-P-C4' energy: -140.309 flat angles P-C4'-P energy: -77.375 tors. eta vs tors. theta energy: -106.571 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: 1 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -1271.905946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.905946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.905946 (E_RNA) where: Base-Base interactions energy: -788.800 where: short stacking energy: -388.815 Base-Backbone interact. energy: -6.231 local terms energy: -476.875614 where: bonds (distance) C4'-P energy: -108.367 bonds (distance) P-C4' energy: -130.593 flat angles C4'-P-C4' energy: -131.426 flat angles P-C4'-P energy: -71.759 tors. eta vs tors. theta energy: -34.730 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: 10, replica: 3 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -970.687306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.687306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.687306 (E_RNA) where: Base-Base interactions energy: -516.418 where: short stacking energy: -260.047 Base-Backbone interact. energy: -0.958 local terms energy: -453.310643 where: bonds (distance) C4'-P energy: -123.386 bonds (distance) P-C4' energy: -135.406 flat angles C4'-P-C4' energy: -116.247 flat angles P-C4'-P energy: -63.703 tors. eta vs tors. theta energy: -14.568 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: 6 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -2942.062272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.062272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.062272 (E_RNA) where: Base-Base interactions energy: -2052.045 where: short stacking energy: -868.017 Base-Backbone interact. energy: 1.227 local terms energy: -891.244906 where: bonds (distance) C4'-P energy: -164.954 bonds (distance) P-C4' energy: -149.965 flat angles C4'-P-C4' energy: -189.804 flat angles P-C4'-P energy: -132.656 tors. eta vs tors. theta energy: -253.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -2886.448269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.448269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.448269 (E_RNA) where: Base-Base interactions energy: -2041.395 where: short stacking energy: -852.828 Base-Backbone interact. energy: -2.411 local terms energy: -842.641813 where: bonds (distance) C4'-P energy: -165.876 bonds (distance) P-C4' energy: -158.176 flat angles C4'-P-C4' energy: -176.390 flat angles P-C4'-P energy: -105.854 tors. eta vs tors. theta energy: -236.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2769.594017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.594017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.594017 (E_RNA) where: Base-Base interactions energy: -1929.801 where: short stacking energy: -840.315 Base-Backbone interact. energy: -5.949 local terms energy: -833.844611 where: bonds (distance) C4'-P energy: -149.781 bonds (distance) P-C4' energy: -150.879 flat angles C4'-P-C4' energy: -178.845 flat angles P-C4'-P energy: -116.653 tors. eta vs tors. theta energy: -237.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -2597.033705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.033705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.033705 (E_RNA) where: Base-Base interactions energy: -1785.269 where: short stacking energy: -793.364 Base-Backbone interact. energy: 0.711 local terms energy: -812.476407 where: bonds (distance) C4'-P energy: -136.096 bonds (distance) P-C4' energy: -148.241 flat angles C4'-P-C4' energy: -184.151 flat angles P-C4'-P energy: -111.146 tors. eta vs tors. theta energy: -232.842 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: 5, replica: 9 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -2478.272884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.272884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.272884 (E_RNA) where: Base-Base interactions energy: -1716.051 where: short stacking energy: -731.784 Base-Backbone interact. energy: -2.169 local terms energy: -760.052857 where: bonds (distance) C4'-P energy: -133.609 bonds (distance) P-C4' energy: -141.121 flat angles C4'-P-C4' energy: -178.798 flat angles P-C4'-P energy: -102.393 tors. eta vs tors. theta energy: -204.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -2276.813031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.813031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.813031 (E_RNA) where: Base-Base interactions energy: -1564.941 where: short stacking energy: -676.116 Base-Backbone interact. energy: -3.698 local terms energy: -708.174043 where: bonds (distance) C4'-P energy: -117.421 bonds (distance) P-C4' energy: -139.734 flat angles C4'-P-C4' energy: -154.627 flat angles P-C4'-P energy: -112.228 tors. eta vs tors. theta energy: -184.164 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: 7, replica: 8 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -2117.598927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.598927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.598927 (E_RNA) where: Base-Base interactions energy: -1437.150 where: short stacking energy: -601.227 Base-Backbone interact. energy: -5.634 local terms energy: -674.814395 where: bonds (distance) C4'-P energy: -135.276 bonds (distance) P-C4' energy: -132.957 flat angles C4'-P-C4' energy: -150.063 flat angles P-C4'-P energy: -99.736 tors. eta vs tors. theta energy: -156.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1809.665013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.665013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.665013 (E_RNA) where: Base-Base interactions energy: -1180.322 where: short stacking energy: -553.223 Base-Backbone interact. energy: 3.169 local terms energy: -632.512376 where: bonds (distance) C4'-P energy: -133.594 bonds (distance) P-C4' energy: -136.203 flat angles C4'-P-C4' energy: -140.941 flat angles P-C4'-P energy: -81.275 tors. eta vs tors. theta energy: -140.501 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: 1 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -1285.609908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.609908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.609908 (E_RNA) where: Base-Base interactions energy: -797.197 where: short stacking energy: -364.659 Base-Backbone interact. energy: 6.292 local terms energy: -494.705492 where: bonds (distance) C4'-P energy: -102.491 bonds (distance) P-C4' energy: -145.485 flat angles C4'-P-C4' energy: -121.399 flat angles P-C4'-P energy: -83.935 tors. eta vs tors. theta energy: -41.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -1091.668315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.668315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.668315 (E_RNA) where: Base-Base interactions energy: -609.751 where: short stacking energy: -305.561 Base-Backbone interact. energy: 0.017 local terms energy: -481.934712 where: bonds (distance) C4'-P energy: -124.418 bonds (distance) P-C4' energy: -137.049 flat angles C4'-P-C4' energy: -118.922 flat angles P-C4'-P energy: -76.908 tors. eta vs tors. theta energy: -24.637 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: 6 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -2975.767345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.767345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.767345 (E_RNA) where: Base-Base interactions energy: -2072.615 where: short stacking energy: -856.266 Base-Backbone interact. energy: -3.723 local terms energy: -899.428841 where: bonds (distance) C4'-P energy: -163.662 bonds (distance) P-C4' energy: -162.903 flat angles C4'-P-C4' energy: -188.858 flat angles P-C4'-P energy: -131.788 tors. eta vs tors. theta energy: -252.218 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: 10 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -2874.182160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.182160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.182160 (E_RNA) where: Base-Base interactions energy: -2022.103 where: short stacking energy: -847.142 Base-Backbone interact. energy: -2.247 local terms energy: -849.831979 where: bonds (distance) C4'-P energy: -156.854 bonds (distance) P-C4' energy: -150.254 flat angles C4'-P-C4' energy: -184.490 flat angles P-C4'-P energy: -121.673 tors. eta vs tors. theta energy: -236.561 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: 3, replica: 4 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -2745.724070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.724070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.724070 (E_RNA) where: Base-Base interactions energy: -1902.393 where: short stacking energy: -810.896 Base-Backbone interact. energy: -0.557 local terms energy: -842.773498 where: bonds (distance) C4'-P energy: -139.852 bonds (distance) P-C4' energy: -166.116 flat angles C4'-P-C4' energy: -187.299 flat angles P-C4'-P energy: -112.027 tors. eta vs tors. theta energy: -237.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -2570.363260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.363260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.363260 (E_RNA) where: Base-Base interactions energy: -1792.928 where: short stacking energy: -743.300 Base-Backbone interact. energy: -2.046 local terms energy: -775.390210 where: bonds (distance) C4'-P energy: -146.010 bonds (distance) P-C4' energy: -133.545 flat angles C4'-P-C4' energy: -181.308 flat angles P-C4'-P energy: -120.999 tors. eta vs tors. theta energy: -193.528 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: 5, replica: 7 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -2532.803439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.803439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.803439 (E_RNA) where: Base-Base interactions energy: -1719.170 where: short stacking energy: -770.558 Base-Backbone interact. energy: -3.411 local terms energy: -810.222558 where: bonds (distance) C4'-P energy: -132.212 bonds (distance) P-C4' energy: -159.367 flat angles C4'-P-C4' energy: -178.553 flat angles P-C4'-P energy: -103.493 tors. eta vs tors. theta energy: -236.598 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: 6, replica: 5 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -2252.508301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.508301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.508301 (E_RNA) where: Base-Base interactions energy: -1545.880 where: short stacking energy: -643.177 Base-Backbone interact. energy: -4.083 local terms energy: -702.545051 where: bonds (distance) C4'-P energy: -122.745 bonds (distance) P-C4' energy: -141.383 flat angles C4'-P-C4' energy: -160.158 flat angles P-C4'-P energy: -110.109 tors. eta vs tors. theta energy: -168.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -2155.104984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.104984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.104984 (E_RNA) where: Base-Base interactions energy: -1491.523 where: short stacking energy: -630.609 Base-Backbone interact. energy: -1.796 local terms energy: -661.785474 where: bonds (distance) C4'-P energy: -123.384 bonds (distance) P-C4' energy: -130.767 flat angles C4'-P-C4' energy: -148.847 flat angles P-C4'-P energy: -82.460 tors. eta vs tors. theta energy: -176.327 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: 8, replica: 2 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1753.729517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.729517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.729517 (E_RNA) where: Base-Base interactions energy: -1152.236 where: short stacking energy: -514.110 Base-Backbone interact. energy: -4.803 local terms energy: -596.690503 where: bonds (distance) C4'-P energy: -118.545 bonds (distance) P-C4' energy: -133.277 flat angles C4'-P-C4' energy: -144.259 flat angles P-C4'-P energy: -89.737 tors. eta vs tors. theta energy: -110.872 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: 9, replica: 1 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -1361.935387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.935387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.935387 (E_RNA) where: Base-Base interactions energy: -844.696 where: short stacking energy: -405.693 Base-Backbone interact. energy: -1.822 local terms energy: -515.417242 where: bonds (distance) C4'-P energy: -141.234 bonds (distance) P-C4' energy: -130.301 flat angles C4'-P-C4' energy: -125.375 flat angles P-C4'-P energy: -79.062 tors. eta vs tors. theta energy: -39.446 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: 10, replica: 3 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -992.892777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.892777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.892777 (E_RNA) where: Base-Base interactions energy: -548.802 where: short stacking energy: -318.056 Base-Backbone interact. energy: 1.153 local terms energy: -445.244273 where: bonds (distance) C4'-P energy: -127.230 bonds (distance) P-C4' energy: -137.853 flat angles C4'-P-C4' energy: -114.855 flat angles P-C4'-P energy: -49.640 tors. eta vs tors. theta energy: -15.667 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: 10 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -2953.602702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.602702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.602702 (E_RNA) where: Base-Base interactions energy: -2096.360 where: short stacking energy: -854.998 Base-Backbone interact. energy: -6.764 local terms energy: -850.479225 where: bonds (distance) C4'-P energy: -150.467 bonds (distance) P-C4' energy: -165.708 flat angles C4'-P-C4' energy: -171.082 flat angles P-C4'-P energy: -126.854 tors. eta vs tors. theta energy: -236.368 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: 2, replica: 6 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -2880.872430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.872430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.872430 (E_RNA) where: Base-Base interactions energy: -2025.253 where: short stacking energy: -856.362 Base-Backbone interact. energy: -2.877 local terms energy: -852.742239 where: bonds (distance) C4'-P energy: -147.384 bonds (distance) P-C4' energy: -162.688 flat angles C4'-P-C4' energy: -170.784 flat angles P-C4'-P energy: -132.805 tors. eta vs tors. theta energy: -239.081 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: 3, replica: 4 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -2713.905717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.905717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.905717 (E_RNA) where: Base-Base interactions energy: -1877.725 where: short stacking energy: -847.987 Base-Backbone interact. energy: -3.744 local terms energy: -832.437017 where: bonds (distance) C4'-P energy: -135.414 bonds (distance) P-C4' energy: -153.281 flat angles C4'-P-C4' energy: -177.167 flat angles P-C4'-P energy: -119.643 tors. eta vs tors. theta energy: -246.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -2544.660864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.660864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.660864 (E_RNA) where: Base-Base interactions energy: -1756.941 where: short stacking energy: -762.245 Base-Backbone interact. energy: -5.669 local terms energy: -782.050831 where: bonds (distance) C4'-P energy: -147.664 bonds (distance) P-C4' energy: -153.133 flat angles C4'-P-C4' energy: -168.671 flat angles P-C4'-P energy: -103.908 tors. eta vs tors. theta energy: -208.675 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: 5, replica: 7 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -2510.011379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.011379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.011379 (E_RNA) where: Base-Base interactions energy: -1717.554 where: short stacking energy: -775.201 Base-Backbone interact. energy: -2.554 local terms energy: -789.903666 where: bonds (distance) C4'-P energy: -145.013 bonds (distance) P-C4' energy: -151.187 flat angles C4'-P-C4' energy: -163.728 flat angles P-C4'-P energy: -100.962 tors. eta vs tors. theta energy: -229.014 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: 6, replica: 5 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -2262.615812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.615812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.615812 (E_RNA) where: Base-Base interactions energy: -1564.068 where: short stacking energy: -674.255 Base-Backbone interact. energy: -2.784 local terms energy: -695.764221 where: bonds (distance) C4'-P energy: -119.128 bonds (distance) P-C4' energy: -115.637 flat angles C4'-P-C4' energy: -160.636 flat angles P-C4'-P energy: -109.348 tors. eta vs tors. theta energy: -191.016 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: 7, replica: 8 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -2072.107842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.107842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.107842 (E_RNA) where: Base-Base interactions energy: -1397.719 where: short stacking energy: -604.640 Base-Backbone interact. energy: 1.863 local terms energy: -676.251907 where: bonds (distance) C4'-P energy: -121.840 bonds (distance) P-C4' energy: -140.693 flat angles C4'-P-C4' energy: -142.593 flat angles P-C4'-P energy: -103.535 tors. eta vs tors. theta energy: -167.591 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: 8, replica: 2 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1715.348299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.348299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.348299 (E_RNA) where: Base-Base interactions energy: -1113.554 where: short stacking energy: -516.431 Base-Backbone interact. energy: -4.257 local terms energy: -597.536836 where: bonds (distance) C4'-P energy: -107.365 bonds (distance) P-C4' energy: -149.807 flat angles C4'-P-C4' energy: -127.228 flat angles P-C4'-P energy: -92.812 tors. eta vs tors. theta energy: -120.324 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: 1 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -1369.177300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.177300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.177300 (E_RNA) where: Base-Base interactions energy: -837.596 where: short stacking energy: -370.531 Base-Backbone interact. energy: 4.259 local terms energy: -535.840870 where: bonds (distance) C4'-P energy: -138.621 bonds (distance) P-C4' energy: -138.689 flat angles C4'-P-C4' energy: -108.316 flat angles P-C4'-P energy: -94.258 tors. eta vs tors. theta energy: -55.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -1018.900041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.900041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.900041 (E_RNA) where: Base-Base interactions energy: -561.739 where: short stacking energy: -311.879 Base-Backbone interact. energy: -2.910 local terms energy: -454.250874 where: bonds (distance) C4'-P energy: -110.938 bonds (distance) P-C4' energy: -138.026 flat angles C4'-P-C4' energy: -121.828 flat angles P-C4'-P energy: -56.400 tors. eta vs tors. theta energy: -27.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -2943.075774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.075774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.075774 (E_RNA) where: Base-Base interactions energy: -2064.736 where: short stacking energy: -883.890 Base-Backbone interact. energy: 0.334 local terms energy: -878.673778 where: bonds (distance) C4'-P energy: -140.609 bonds (distance) P-C4' energy: -180.016 flat angles C4'-P-C4' energy: -180.215 flat angles P-C4'-P energy: -137.888 tors. eta vs tors. theta energy: -239.946 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: 2, replica: 6 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -2880.177836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.177836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.177836 (E_RNA) where: Base-Base interactions energy: -2020.213 where: short stacking energy: -846.255 Base-Backbone interact. energy: 2.310 local terms energy: -862.274888 where: bonds (distance) C4'-P energy: -153.287 bonds (distance) P-C4' energy: -156.855 flat angles C4'-P-C4' energy: -179.047 flat angles P-C4'-P energy: -124.224 tors. eta vs tors. theta energy: -248.863 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: 3, replica: 4 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -2689.672605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.672605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.672605 (E_RNA) where: Base-Base interactions energy: -1890.492 where: short stacking energy: -829.185 Base-Backbone interact. energy: -0.462 local terms energy: -798.718611 where: bonds (distance) C4'-P energy: -144.393 bonds (distance) P-C4' energy: -139.099 flat angles C4'-P-C4' energy: -166.411 flat angles P-C4'-P energy: -108.530 tors. eta vs tors. theta energy: -240.285 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: 7 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -2571.239118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.239118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.239118 (E_RNA) where: Base-Base interactions energy: -1774.452 where: short stacking energy: -804.530 Base-Backbone interact. energy: -2.718 local terms energy: -794.069198 where: bonds (distance) C4'-P energy: -139.833 bonds (distance) P-C4' energy: -144.661 flat angles C4'-P-C4' energy: -180.950 flat angles P-C4'-P energy: -107.353 tors. eta vs tors. theta energy: -221.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -2469.970442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.970442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.970442 (E_RNA) where: Base-Base interactions energy: -1725.648 where: short stacking energy: -755.590 Base-Backbone interact. energy: -2.949 local terms energy: -741.373167 where: bonds (distance) C4'-P energy: -130.819 bonds (distance) P-C4' energy: -145.703 flat angles C4'-P-C4' energy: -161.619 flat angles P-C4'-P energy: -105.460 tors. eta vs tors. theta energy: -197.771 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: 369 Temperature: 1.150000 Total energy: -2267.711587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.711587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.711587 (E_RNA) where: Base-Base interactions energy: -1560.727 where: short stacking energy: -677.609 Base-Backbone interact. energy: -3.229 local terms energy: -703.755486 where: bonds (distance) C4'-P energy: -125.805 bonds (distance) P-C4' energy: -137.919 flat angles C4'-P-C4' energy: -140.860 flat angles P-C4'-P energy: -105.099 tors. eta vs tors. theta energy: -194.072 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: 7, replica: 8 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -2078.237755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.237755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.237755 (E_RNA) where: Base-Base interactions energy: -1376.419 where: short stacking energy: -576.319 Base-Backbone interact. energy: -1.962 local terms energy: -699.856525 where: bonds (distance) C4'-P energy: -151.428 bonds (distance) P-C4' energy: -154.418 flat angles C4'-P-C4' energy: -149.844 flat angles P-C4'-P energy: -86.760 tors. eta vs tors. theta energy: -157.408 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: 2 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1779.509962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.509962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.509962 (E_RNA) where: Base-Base interactions energy: -1164.561 where: short stacking energy: -518.777 Base-Backbone interact. energy: 1.951 local terms energy: -616.900236 where: bonds (distance) C4'-P energy: -132.390 bonds (distance) P-C4' energy: -148.720 flat angles C4'-P-C4' energy: -147.543 flat angles P-C4'-P energy: -88.032 tors. eta vs tors. theta energy: -100.216 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: 1 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -1374.381310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.381310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.381310 (E_RNA) where: Base-Base interactions energy: -857.166 where: short stacking energy: -412.207 Base-Backbone interact. energy: -0.836 local terms energy: -516.379397 where: bonds (distance) C4'-P energy: -111.321 bonds (distance) P-C4' energy: -139.232 flat angles C4'-P-C4' energy: -123.147 flat angles P-C4'-P energy: -89.356 tors. eta vs tors. theta energy: -53.323 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: 10, replica: 3 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -967.263116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.263116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.263116 (E_RNA) where: Base-Base interactions energy: -552.156 where: short stacking energy: -280.826 Base-Backbone interact. energy: -3.577 local terms energy: -411.530583 where: bonds (distance) C4'-P energy: -125.502 bonds (distance) P-C4' energy: -116.640 flat angles C4'-P-C4' energy: -106.354 flat angles P-C4'-P energy: -56.102 tors. eta vs tors. theta energy: -6.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -2925.288698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.288698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.288698 (E_RNA) where: Base-Base interactions energy: -2035.620 where: short stacking energy: -865.923 Base-Backbone interact. energy: -2.210 local terms energy: -887.459141 where: bonds (distance) C4'-P energy: -160.456 bonds (distance) P-C4' energy: -165.383 flat angles C4'-P-C4' energy: -176.618 flat angles P-C4'-P energy: -126.276 tors. eta vs tors. theta energy: -258.726 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: 2, replica: 10 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -2834.694172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.694172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.694172 (E_RNA) where: Base-Base interactions energy: -1986.812 where: short stacking energy: -852.163 Base-Backbone interact. energy: 0.695 local terms energy: -848.577378 where: bonds (distance) C4'-P energy: -149.617 bonds (distance) P-C4' energy: -154.261 flat angles C4'-P-C4' energy: -185.300 flat angles P-C4'-P energy: -131.181 tors. eta vs tors. theta energy: -228.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -2766.253601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.253601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.253601 (E_RNA) where: Base-Base interactions energy: -1951.986 where: short stacking energy: -834.943 Base-Backbone interact. energy: -2.514 local terms energy: -811.753938 where: bonds (distance) C4'-P energy: -144.094 bonds (distance) P-C4' energy: -135.180 flat angles C4'-P-C4' energy: -182.753 flat angles P-C4'-P energy: -111.001 tors. eta vs tors. theta energy: -238.727 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: 4, replica: 7 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -2554.661499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.661499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.661499 (E_RNA) where: Base-Base interactions energy: -1747.435 where: short stacking energy: -805.419 Base-Backbone interact. energy: -1.158 local terms energy: -806.068609 where: bonds (distance) C4'-P energy: -144.289 bonds (distance) P-C4' energy: -143.297 flat angles C4'-P-C4' energy: -171.865 flat angles P-C4'-P energy: -115.264 tors. eta vs tors. theta energy: -231.353 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: 5, replica: 9 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -2426.456977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.456977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.456977 (E_RNA) where: Base-Base interactions energy: -1674.610 where: short stacking energy: -702.866 Base-Backbone interact. energy: 0.303 local terms energy: -752.149457 where: bonds (distance) C4'-P energy: -149.096 bonds (distance) P-C4' energy: -134.907 flat angles C4'-P-C4' energy: -158.358 flat angles P-C4'-P energy: -115.486 tors. eta vs tors. theta energy: -194.303 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: 6, replica: 5 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -2244.404163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.404163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.404163 (E_RNA) where: Base-Base interactions energy: -1528.472 where: short stacking energy: -661.401 Base-Backbone interact. energy: -2.198 local terms energy: -713.734056 where: bonds (distance) C4'-P energy: -111.074 bonds (distance) P-C4' energy: -160.441 flat angles C4'-P-C4' energy: -156.432 flat angles P-C4'-P energy: -107.924 tors. eta vs tors. theta energy: -177.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -2151.398140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.398140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.398140 (E_RNA) where: Base-Base interactions energy: -1492.665 where: short stacking energy: -630.664 Base-Backbone interact. energy: -4.083 local terms energy: -654.649716 where: bonds (distance) C4'-P energy: -123.021 bonds (distance) P-C4' energy: -129.207 flat angles C4'-P-C4' energy: -153.937 flat angles P-C4'-P energy: -87.992 tors. eta vs tors. theta energy: -160.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1787.680603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.680603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.680603 (E_RNA) where: Base-Base interactions energy: -1207.526 where: short stacking energy: -551.272 Base-Backbone interact. energy: -3.447 local terms energy: -576.707372 where: bonds (distance) C4'-P energy: -124.490 bonds (distance) P-C4' energy: -123.639 flat angles C4'-P-C4' energy: -127.810 flat angles P-C4'-P energy: -70.427 tors. eta vs tors. theta energy: -130.341 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: 9, replica: 1 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -1401.390172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.390172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.390172 (E_RNA) where: Base-Base interactions energy: -898.684 where: short stacking energy: -433.821 Base-Backbone interact. energy: -0.133 local terms energy: -502.574025 where: bonds (distance) C4'-P energy: -100.067 bonds (distance) P-C4' energy: -145.727 flat angles C4'-P-C4' energy: -127.466 flat angles P-C4'-P energy: -81.991 tors. eta vs tors. theta energy: -47.323 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: 10, replica: 3 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -976.721817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.721817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.721817 (E_RNA) where: Base-Base interactions energy: -518.410 where: short stacking energy: -279.974 Base-Backbone interact. energy: -4.829 local terms energy: -453.483032 where: bonds (distance) C4'-P energy: -106.853 bonds (distance) P-C4' energy: -133.774 flat angles C4'-P-C4' energy: -129.541 flat angles P-C4'-P energy: -62.204 tors. eta vs tors. theta energy: -21.110 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: 1, replica: 6 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -2926.452310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.452310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.452310 (E_RNA) where: Base-Base interactions energy: -2026.643 where: short stacking energy: -848.934 Base-Backbone interact. energy: -5.188 local terms energy: -894.621821 where: bonds (distance) C4'-P energy: -161.960 bonds (distance) P-C4' energy: -165.905 flat angles C4'-P-C4' energy: -184.894 flat angles P-C4'-P energy: -131.067 tors. eta vs tors. theta energy: -250.795 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: 10 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -2828.542144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.542144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.542144 (E_RNA) where: Base-Base interactions energy: -1983.483 where: short stacking energy: -845.285 Base-Backbone interact. energy: -3.134 local terms energy: -841.924512 where: bonds (distance) C4'-P energy: -159.226 bonds (distance) P-C4' energy: -145.220 flat angles C4'-P-C4' energy: -192.271 flat angles P-C4'-P energy: -105.703 tors. eta vs tors. theta energy: -239.505 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: 4 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -2736.605733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.605733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.605733 (E_RNA) where: Base-Base interactions energy: -1879.041 where: short stacking energy: -824.827 Base-Backbone interact. energy: -3.428 local terms energy: -854.137174 where: bonds (distance) C4'-P energy: -146.900 bonds (distance) P-C4' energy: -171.010 flat angles C4'-P-C4' energy: -182.728 flat angles P-C4'-P energy: -117.244 tors. eta vs tors. theta energy: -236.255 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: 4, replica: 7 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -2557.399494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.399494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.399494 (E_RNA) where: Base-Base interactions energy: -1774.551 where: short stacking energy: -798.145 Base-Backbone interact. energy: -3.193 local terms energy: -779.656319 where: bonds (distance) C4'-P energy: -132.109 bonds (distance) P-C4' energy: -140.738 flat angles C4'-P-C4' energy: -174.990 flat angles P-C4'-P energy: -102.652 tors. eta vs tors. theta energy: -229.167 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: 5, replica: 9 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -2509.563418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.563418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.563418 (E_RNA) where: Base-Base interactions energy: -1714.088 where: short stacking energy: -735.571 Base-Backbone interact. energy: -2.070 local terms energy: -793.405531 where: bonds (distance) C4'-P energy: -147.071 bonds (distance) P-C4' energy: -156.640 flat angles C4'-P-C4' energy: -177.649 flat angles P-C4'-P energy: -118.048 tors. eta vs tors. theta energy: -193.998 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: 5 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -2260.722584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.722584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.722584 (E_RNA) where: Base-Base interactions energy: -1564.008 where: short stacking energy: -682.038 Base-Backbone interact. energy: -0.145 local terms energy: -696.569434 where: bonds (distance) C4'-P energy: -134.658 bonds (distance) P-C4' energy: -140.365 flat angles C4'-P-C4' energy: -133.080 flat angles P-C4'-P energy: -95.546 tors. eta vs tors. theta energy: -192.920 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: 7, replica: 8 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -2084.991485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.991485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.991485 (E_RNA) where: Base-Base interactions energy: -1421.399 where: short stacking energy: -588.262 Base-Backbone interact. energy: -4.574 local terms energy: -659.018708 where: bonds (distance) C4'-P energy: -133.084 bonds (distance) P-C4' energy: -138.310 flat angles C4'-P-C4' energy: -154.047 flat angles P-C4'-P energy: -93.704 tors. eta vs tors. theta energy: -139.875 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: 2 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1815.080277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.080277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.080277 (E_RNA) where: Base-Base interactions energy: -1184.775 where: short stacking energy: -544.692 Base-Backbone interact. energy: -1.643 local terms energy: -628.662235 where: bonds (distance) C4'-P energy: -142.418 bonds (distance) P-C4' energy: -140.702 flat angles C4'-P-C4' energy: -131.285 flat angles P-C4'-P energy: -94.530 tors. eta vs tors. theta energy: -119.727 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: 1 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -1393.858779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.858779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.858779 (E_RNA) where: Base-Base interactions energy: -840.062 where: short stacking energy: -415.120 Base-Backbone interact. energy: -1.144 local terms energy: -552.652346 where: bonds (distance) C4'-P energy: -123.944 bonds (distance) P-C4' energy: -131.515 flat angles C4'-P-C4' energy: -143.204 flat angles P-C4'-P energy: -87.965 tors. eta vs tors. theta energy: -66.023 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: 3 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -978.924050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.924050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.924050 (E_RNA) where: Base-Base interactions energy: -536.169 where: short stacking energy: -267.848 Base-Backbone interact. energy: 3.057 local terms energy: -445.811654 where: bonds (distance) C4'-P energy: -115.203 bonds (distance) P-C4' energy: -143.963 flat angles C4'-P-C4' energy: -124.622 flat angles P-C4'-P energy: -57.839 tors. eta vs tors. theta energy: -4.185 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: 6 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -2901.947389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.947389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.947389 (E_RNA) where: Base-Base interactions energy: -2009.268 where: short stacking energy: -868.800 Base-Backbone interact. energy: -1.536 local terms energy: -891.143285 where: bonds (distance) C4'-P energy: -170.608 bonds (distance) P-C4' energy: -158.136 flat angles C4'-P-C4' energy: -183.466 flat angles P-C4'-P energy: -126.692 tors. eta vs tors. theta energy: -252.241 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: 2, replica: 10 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -2840.653751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.653751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.653751 (E_RNA) where: Base-Base interactions energy: -1970.424 where: short stacking energy: -839.060 Base-Backbone interact. energy: -4.945 local terms energy: -865.284952 where: bonds (distance) C4'-P energy: -168.181 bonds (distance) P-C4' energy: -157.634 flat angles C4'-P-C4' energy: -175.347 flat angles P-C4'-P energy: -133.133 tors. eta vs tors. theta energy: -230.990 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: 3, replica: 4 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -2728.914067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.914067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.914067 (E_RNA) where: Base-Base interactions energy: -1862.943 where: short stacking energy: -805.945 Base-Backbone interact. energy: 0.566 local terms energy: -866.537090 where: bonds (distance) C4'-P energy: -150.204 bonds (distance) P-C4' energy: -171.115 flat angles C4'-P-C4' energy: -180.248 flat angles P-C4'-P energy: -120.934 tors. eta vs tors. theta energy: -244.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -2572.474830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.474830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.474830 (E_RNA) where: Base-Base interactions energy: -1772.498 where: short stacking energy: -782.156 Base-Backbone interact. energy: -5.110 local terms energy: -794.866987 where: bonds (distance) C4'-P energy: -154.944 bonds (distance) P-C4' energy: -138.889 flat angles C4'-P-C4' energy: -177.630 flat angles P-C4'-P energy: -97.308 tors. eta vs tors. theta energy: -226.096 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: 9 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -2453.748852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.748852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.748852 (E_RNA) where: Base-Base interactions energy: -1700.853 where: short stacking energy: -701.939 Base-Backbone interact. energy: 0.386 local terms energy: -753.282256 where: bonds (distance) C4'-P energy: -135.420 bonds (distance) P-C4' energy: -164.305 flat angles C4'-P-C4' energy: -166.692 flat angles P-C4'-P energy: -94.083 tors. eta vs tors. theta energy: -192.782 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: 6, replica: 5 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -2263.627935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.627935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.627935 (E_RNA) where: Base-Base interactions energy: -1542.374 where: short stacking energy: -646.809 Base-Backbone interact. energy: -0.200 local terms energy: -721.054460 where: bonds (distance) C4'-P energy: -128.834 bonds (distance) P-C4' energy: -131.359 flat angles C4'-P-C4' energy: -157.780 flat angles P-C4'-P energy: -121.539 tors. eta vs tors. theta energy: -181.543 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: 8 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -2048.281893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.281893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.281893 (E_RNA) where: Base-Base interactions energy: -1377.517 where: short stacking energy: -599.075 Base-Backbone interact. energy: -1.800 local terms energy: -668.964978 where: bonds (distance) C4'-P energy: -137.576 bonds (distance) P-C4' energy: -142.121 flat angles C4'-P-C4' energy: -148.398 flat angles P-C4'-P energy: -99.536 tors. eta vs tors. theta energy: -141.334 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: 2 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1712.227368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.227368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.227368 (E_RNA) where: Base-Base interactions energy: -1138.175 where: short stacking energy: -531.086 Base-Backbone interact. energy: 2.328 local terms energy: -576.381306 where: bonds (distance) C4'-P energy: -125.821 bonds (distance) P-C4' energy: -111.385 flat angles C4'-P-C4' energy: -139.515 flat angles P-C4'-P energy: -85.732 tors. eta vs tors. theta energy: -113.929 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: 1 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -1452.129149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.129149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.129149 (E_RNA) where: Base-Base interactions energy: -920.295 where: short stacking energy: -439.488 Base-Backbone interact. energy: -0.822 local terms energy: -531.011872 where: bonds (distance) C4'-P energy: -107.092 bonds (distance) P-C4' energy: -127.773 flat angles C4'-P-C4' energy: -141.097 flat angles P-C4'-P energy: -79.041 tors. eta vs tors. theta energy: -76.009 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: 10, replica: 3 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -949.471821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.471821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.471821 (E_RNA) where: Base-Base interactions energy: -535.319 where: short stacking energy: -293.592 Base-Backbone interact. energy: 1.801 local terms energy: -415.954004 where: bonds (distance) C4'-P energy: -126.148 bonds (distance) P-C4' energy: -112.145 flat angles C4'-P-C4' energy: -108.948 flat angles P-C4'-P energy: -62.823 tors. eta vs tors. theta energy: -5.889 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: 6 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -2943.234890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.234890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.234890 (E_RNA) where: Base-Base interactions energy: -2057.551 where: short stacking energy: -879.648 Base-Backbone interact. energy: -2.470 local terms energy: -883.213321 where: bonds (distance) C4'-P energy: -153.597 bonds (distance) P-C4' energy: -152.581 flat angles C4'-P-C4' energy: -181.815 flat angles P-C4'-P energy: -137.932 tors. eta vs tors. theta energy: -257.287 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: 10 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -2847.420865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.420865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.420865 (E_RNA) where: Base-Base interactions energy: -2010.648 where: short stacking energy: -857.419 Base-Backbone interact. energy: -3.163 local terms energy: -833.610578 where: bonds (distance) C4'-P energy: -147.028 bonds (distance) P-C4' energy: -165.259 flat angles C4'-P-C4' energy: -181.755 flat angles P-C4'-P energy: -112.643 tors. eta vs tors. theta energy: -226.926 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: 3, replica: 4 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -2710.126776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.126776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.126776 (E_RNA) where: Base-Base interactions energy: -1855.508 where: short stacking energy: -805.789 Base-Backbone interact. energy: -2.137 local terms energy: -852.482363 where: bonds (distance) C4'-P energy: -172.517 bonds (distance) P-C4' energy: -153.265 flat angles C4'-P-C4' energy: -181.459 flat angles P-C4'-P energy: -117.691 tors. eta vs tors. theta energy: -227.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -2658.609863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.609863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.609863 (E_RNA) where: Base-Base interactions energy: -1827.136 where: short stacking energy: -801.323 Base-Backbone interact. energy: -3.761 local terms energy: -827.713043 where: bonds (distance) C4'-P energy: -152.298 bonds (distance) P-C4' energy: -156.668 flat angles C4'-P-C4' energy: -177.197 flat angles P-C4'-P energy: -110.143 tors. eta vs tors. theta energy: -231.407 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: 373 Temperature: 1.100000 Total energy: -2518.524121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.524121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.524121 (E_RNA) where: Base-Base interactions energy: -1778.677 where: short stacking energy: -740.591 Base-Backbone interact. energy: 1.261 local terms energy: -741.107784 where: bonds (distance) C4'-P energy: -126.589 bonds (distance) P-C4' energy: -142.225 flat angles C4'-P-C4' energy: -157.116 flat angles P-C4'-P energy: -120.765 tors. eta vs tors. theta energy: -194.413 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: 6, replica: 5 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -2278.685346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.685346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.685346 (E_RNA) where: Base-Base interactions energy: -1556.494 where: short stacking energy: -668.831 Base-Backbone interact. energy: 0.091 local terms energy: -722.281932 where: bonds (distance) C4'-P energy: -123.344 bonds (distance) P-C4' energy: -139.927 flat angles C4'-P-C4' energy: -169.796 flat angles P-C4'-P energy: -109.462 tors. eta vs tors. theta energy: -179.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -2107.415957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.415957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.415957 (E_RNA) where: Base-Base interactions energy: -1407.040 where: short stacking energy: -595.690 Base-Backbone interact. energy: -1.351 local terms energy: -699.025042 where: bonds (distance) C4'-P energy: -132.814 bonds (distance) P-C4' energy: -148.208 flat angles C4'-P-C4' energy: -153.092 flat angles P-C4'-P energy: -102.864 tors. eta vs tors. theta energy: -162.048 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: 8, replica: 2 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1733.351692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.351692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.351692 (E_RNA) where: Base-Base interactions energy: -1132.202 where: short stacking energy: -525.026 Base-Backbone interact. energy: 0.981 local terms energy: -602.131213 where: bonds (distance) C4'-P energy: -111.712 bonds (distance) P-C4' energy: -146.728 flat angles C4'-P-C4' energy: -143.093 flat angles P-C4'-P energy: -95.907 tors. eta vs tors. theta energy: -104.692 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: 1 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -1423.150198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.150198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.150198 (E_RNA) where: Base-Base interactions energy: -850.113 where: short stacking energy: -405.239 Base-Backbone interact. energy: 0.801 local terms energy: -573.838488 where: bonds (distance) C4'-P energy: -127.890 bonds (distance) P-C4' energy: -160.178 flat angles C4'-P-C4' energy: -142.815 flat angles P-C4'-P energy: -74.725 tors. eta vs tors. theta energy: -68.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -1098.320334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.320334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.320334 (E_RNA) where: Base-Base interactions energy: -638.304 where: short stacking energy: -326.202 Base-Backbone interact. energy: -1.953 local terms energy: -458.062675 where: bonds (distance) C4'-P energy: -112.159 bonds (distance) P-C4' energy: -121.441 flat angles C4'-P-C4' energy: -132.252 flat angles P-C4'-P energy: -72.492 tors. eta vs tors. theta energy: -19.718 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: 10 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -2917.423935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.423935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.423935 (E_RNA) where: Base-Base interactions energy: -2069.304 where: short stacking energy: -864.932 Base-Backbone interact. energy: -3.927 local terms energy: -844.192943 where: bonds (distance) C4'-P energy: -163.734 bonds (distance) P-C4' energy: -143.264 flat angles C4'-P-C4' energy: -178.325 flat angles P-C4'-P energy: -121.679 tors. eta vs tors. theta energy: -237.191 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: 6 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -2860.096801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.096801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.096801 (E_RNA) where: Base-Base interactions energy: -1985.167 where: short stacking energy: -833.453 Base-Backbone interact. energy: -5.010 local terms energy: -869.919129 where: bonds (distance) C4'-P energy: -162.046 bonds (distance) P-C4' energy: -150.042 flat angles C4'-P-C4' energy: -184.905 flat angles P-C4'-P energy: -119.476 tors. eta vs tors. theta energy: -253.451 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: 4 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -2701.342581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.342581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.342581 (E_RNA) where: Base-Base interactions energy: -1881.432 where: short stacking energy: -833.465 Base-Backbone interact. energy: -5.032 local terms energy: -814.879229 where: bonds (distance) C4'-P energy: -129.306 bonds (distance) P-C4' energy: -160.020 flat angles C4'-P-C4' energy: -171.386 flat angles P-C4'-P energy: -116.387 tors. eta vs tors. theta energy: -237.780 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: 7 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -2671.649798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.649798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.649798 (E_RNA) where: Base-Base interactions energy: -1824.955 where: short stacking energy: -821.423 Base-Backbone interact. energy: -4.117 local terms energy: -842.577988 where: bonds (distance) C4'-P energy: -158.434 bonds (distance) P-C4' energy: -157.705 flat angles C4'-P-C4' energy: -164.489 flat angles P-C4'-P energy: -116.895 tors. eta vs tors. theta energy: -245.055 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: 5, replica: 9 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -2480.220490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.220490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.220490 (E_RNA) where: Base-Base interactions energy: -1729.001 where: short stacking energy: -719.612 Base-Backbone interact. energy: 0.716 local terms energy: -751.935063 where: bonds (distance) C4'-P energy: -144.437 bonds (distance) P-C4' energy: -142.444 flat angles C4'-P-C4' energy: -168.042 flat angles P-C4'-P energy: -109.944 tors. eta vs tors. theta energy: -187.068 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: 5 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -2244.561019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.561019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.561019 (E_RNA) where: Base-Base interactions energy: -1523.711 where: short stacking energy: -676.026 Base-Backbone interact. energy: -2.272 local terms energy: -718.578414 where: bonds (distance) C4'-P energy: -134.654 bonds (distance) P-C4' energy: -147.560 flat angles C4'-P-C4' energy: -146.489 flat angles P-C4'-P energy: -102.615 tors. eta vs tors. theta energy: -187.260 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: 7, replica: 8 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -2023.157828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.157828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.157828 (E_RNA) where: Base-Base interactions energy: -1372.781 where: short stacking energy: -591.358 Base-Backbone interact. energy: -0.213 local terms energy: -650.164110 where: bonds (distance) C4'-P energy: -124.157 bonds (distance) P-C4' energy: -138.533 flat angles C4'-P-C4' energy: -163.643 flat angles P-C4'-P energy: -79.407 tors. eta vs tors. theta energy: -144.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1756.989496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.989496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.989496 (E_RNA) where: Base-Base interactions energy: -1162.165 where: short stacking energy: -523.676 Base-Backbone interact. energy: -6.678 local terms energy: -588.146145 where: bonds (distance) C4'-P energy: -119.921 bonds (distance) P-C4' energy: -125.578 flat angles C4'-P-C4' energy: -143.359 flat angles P-C4'-P energy: -83.882 tors. eta vs tors. theta energy: -115.406 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: 1 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -1387.517039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.517039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.517039 (E_RNA) where: Base-Base interactions energy: -872.345 where: short stacking energy: -413.085 Base-Backbone interact. energy: 8.488 local terms energy: -523.659831 where: bonds (distance) C4'-P energy: -124.707 bonds (distance) P-C4' energy: -117.461 flat angles C4'-P-C4' energy: -138.394 flat angles P-C4'-P energy: -80.153 tors. eta vs tors. theta energy: -62.945 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: 3 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -1098.102551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.102551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.102551 (E_RNA) where: Base-Base interactions energy: -639.396 where: short stacking energy: -315.218 Base-Backbone interact. energy: -0.901 local terms energy: -457.805245 where: bonds (distance) C4'-P energy: -102.394 bonds (distance) P-C4' energy: -132.001 flat angles C4'-P-C4' energy: -125.726 flat angles P-C4'-P energy: -69.693 tors. eta vs tors. theta energy: -27.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -2930.154091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.154091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.154091 (E_RNA) where: Base-Base interactions energy: -2067.430 where: short stacking energy: -864.610 Base-Backbone interact. energy: -1.264 local terms energy: -861.459333 where: bonds (distance) C4'-P energy: -166.005 bonds (distance) P-C4' energy: -151.960 flat angles C4'-P-C4' energy: -183.589 flat angles P-C4'-P energy: -126.252 tors. eta vs tors. theta energy: -233.654 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: 2, replica: 6 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -2878.333260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.333260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.333260 (E_RNA) where: Base-Base interactions energy: -1983.593 where: short stacking energy: -837.705 Base-Backbone interact. energy: -2.150 local terms energy: -892.590138 where: bonds (distance) C4'-P energy: -150.811 bonds (distance) P-C4' energy: -150.978 flat angles C4'-P-C4' energy: -193.688 flat angles P-C4'-P energy: -143.247 tors. eta vs tors. theta energy: -253.866 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: 4 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -2667.573424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.573424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.573424 (E_RNA) where: Base-Base interactions energy: -1843.704 where: short stacking energy: -779.711 Base-Backbone interact. energy: -1.734 local terms energy: -822.135418 where: bonds (distance) C4'-P energy: -148.921 bonds (distance) P-C4' energy: -152.262 flat angles C4'-P-C4' energy: -173.139 flat angles P-C4'-P energy: -128.682 tors. eta vs tors. theta energy: -219.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -2646.544757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.544757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.544757 (E_RNA) where: Base-Base interactions energy: -1834.459 where: short stacking energy: -838.579 Base-Backbone interact. energy: -4.258 local terms energy: -807.827637 where: bonds (distance) C4'-P energy: -130.747 bonds (distance) P-C4' energy: -155.837 flat angles C4'-P-C4' energy: -165.838 flat angles P-C4'-P energy: -113.188 tors. eta vs tors. theta energy: -242.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -2446.670713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.670713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.670713 (E_RNA) where: Base-Base interactions energy: -1724.888 where: short stacking energy: -707.920 Base-Backbone interact. energy: 2.327 local terms energy: -724.109320 where: bonds (distance) C4'-P energy: -159.087 bonds (distance) P-C4' energy: -129.744 flat angles C4'-P-C4' energy: -156.137 flat angles P-C4'-P energy: -89.501 tors. eta vs tors. theta energy: -189.640 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: 6, replica: 5 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -2264.215960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.215960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.215960 (E_RNA) where: Base-Base interactions energy: -1536.449 where: short stacking energy: -645.320 Base-Backbone interact. energy: -2.341 local terms energy: -725.425650 where: bonds (distance) C4'-P energy: -126.943 bonds (distance) P-C4' energy: -140.276 flat angles C4'-P-C4' energy: -154.981 flat angles P-C4'-P energy: -112.450 tors. eta vs tors. theta energy: -190.776 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: 7, replica: 8 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1949.837245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.837245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.837245 (E_RNA) where: Base-Base interactions energy: -1323.256 where: short stacking energy: -567.472 Base-Backbone interact. energy: 1.428 local terms energy: -628.009999 where: bonds (distance) C4'-P energy: -109.093 bonds (distance) P-C4' energy: -132.892 flat angles C4'-P-C4' energy: -145.813 flat angles P-C4'-P energy: -101.865 tors. eta vs tors. theta energy: -138.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1656.684632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.684632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.684632 (E_RNA) where: Base-Base interactions energy: -1059.672 where: short stacking energy: -466.817 Base-Backbone interact. energy: -0.377 local terms energy: -596.635951 where: bonds (distance) C4'-P energy: -141.195 bonds (distance) P-C4' energy: -134.140 flat angles C4'-P-C4' energy: -166.807 flat angles P-C4'-P energy: -62.973 tors. eta vs tors. theta energy: -91.522 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: 1 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -1341.281542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.281542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.281542 (E_RNA) where: Base-Base interactions energy: -855.402 where: short stacking energy: -397.759 Base-Backbone interact. energy: 0.928 local terms energy: -486.807632 where: bonds (distance) C4'-P energy: -109.420 bonds (distance) P-C4' energy: -121.684 flat angles C4'-P-C4' energy: -145.108 flat angles P-C4'-P energy: -69.624 tors. eta vs tors. theta energy: -40.972 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: 10, replica: 3 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -1021.602648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.602648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.602648 (E_RNA) where: Base-Base interactions energy: -559.086 where: short stacking energy: -311.833 Base-Backbone interact. energy: 0.768 local terms energy: -463.285108 where: bonds (distance) C4'-P energy: -126.188 bonds (distance) P-C4' energy: -129.843 flat angles C4'-P-C4' energy: -98.680 flat angles P-C4'-P energy: -82.663 tors. eta vs tors. theta energy: -25.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -2928.472384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.472384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.472384 (E_RNA) where: Base-Base interactions energy: -2066.326 where: short stacking energy: -846.584 Base-Backbone interact. energy: -3.548 local terms energy: -858.598301 where: bonds (distance) C4'-P energy: -158.469 bonds (distance) P-C4' energy: -161.391 flat angles C4'-P-C4' energy: -183.987 flat angles P-C4'-P energy: -118.759 tors. eta vs tors. theta energy: -235.992 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: 6 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -2856.549242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.549242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.549242 (E_RNA) where: Base-Base interactions energy: -2002.114 where: short stacking energy: -847.013 Base-Backbone interact. energy: -4.399 local terms energy: -850.036276 where: bonds (distance) C4'-P energy: -142.012 bonds (distance) P-C4' energy: -133.866 flat angles C4'-P-C4' energy: -190.419 flat angles P-C4'-P energy: -131.199 tors. eta vs tors. theta energy: -252.540 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: 376 Temperature: 1.000000 Total energy: -2681.086703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.086703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.086703 (E_RNA) where: Base-Base interactions energy: -1852.959 where: short stacking energy: -795.935 Base-Backbone interact. energy: -3.187 local terms energy: -824.940829 where: bonds (distance) C4'-P energy: -151.941 bonds (distance) P-C4' energy: -145.659 flat angles C4'-P-C4' energy: -174.893 flat angles P-C4'-P energy: -116.313 tors. eta vs tors. theta energy: -236.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -2641.318130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.318130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.318130 (E_RNA) where: Base-Base interactions energy: -1783.005 where: short stacking energy: -813.456 Base-Backbone interact. energy: -3.817 local terms energy: -854.497036 where: bonds (distance) C4'-P energy: -153.070 bonds (distance) P-C4' energy: -140.078 flat angles C4'-P-C4' energy: -188.544 flat angles P-C4'-P energy: -130.300 tors. eta vs tors. theta energy: -242.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -2476.226549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.226549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.226549 (E_RNA) where: Base-Base interactions energy: -1724.511 where: short stacking energy: -730.964 Base-Backbone interact. energy: -4.725 local terms energy: -746.991246 where: bonds (distance) C4'-P energy: -130.804 bonds (distance) P-C4' energy: -151.930 flat angles C4'-P-C4' energy: -172.666 flat angles P-C4'-P energy: -97.328 tors. eta vs tors. theta energy: -194.263 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: 6, replica: 5 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -2234.581229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.581229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.581229 (E_RNA) where: Base-Base interactions energy: -1530.377 where: short stacking energy: -650.819 Base-Backbone interact. energy: -0.961 local terms energy: -703.243044 where: bonds (distance) C4'-P energy: -143.387 bonds (distance) P-C4' energy: -145.674 flat angles C4'-P-C4' energy: -140.607 flat angles P-C4'-P energy: -96.373 tors. eta vs tors. theta energy: -177.201 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: 7, replica: 8 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1985.697952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.697952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.697952 (E_RNA) where: Base-Base interactions energy: -1320.944 where: short stacking energy: -590.009 Base-Backbone interact. energy: 8.002 local terms energy: -672.756109 where: bonds (distance) C4'-P energy: -151.641 bonds (distance) P-C4' energy: -130.963 flat angles C4'-P-C4' energy: -158.801 flat angles P-C4'-P energy: -95.177 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: 8, replica: 2 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1809.000710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.000710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.000710 (E_RNA) where: Base-Base interactions energy: -1184.929 where: short stacking energy: -556.879 Base-Backbone interact. energy: -2.246 local terms energy: -621.825681 where: bonds (distance) C4'-P energy: -129.563 bonds (distance) P-C4' energy: -152.951 flat angles C4'-P-C4' energy: -144.294 flat angles P-C4'-P energy: -66.379 tors. eta vs tors. theta energy: -128.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -1340.328183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.328183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.328183 (E_RNA) where: Base-Base interactions energy: -839.132 where: short stacking energy: -392.237 Base-Backbone interact. energy: 6.309 local terms energy: -507.504958 where: bonds (distance) C4'-P energy: -124.170 bonds (distance) P-C4' energy: -145.822 flat angles C4'-P-C4' energy: -129.274 flat angles P-C4'-P energy: -57.540 tors. eta vs tors. theta energy: -50.699 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: 3 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -1044.716336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.716336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.716336 (E_RNA) where: Base-Base interactions energy: -597.712 where: short stacking energy: -287.509 Base-Backbone interact. energy: -4.131 local terms energy: -442.872971 where: bonds (distance) C4'-P energy: -135.860 bonds (distance) P-C4' energy: -136.623 flat angles C4'-P-C4' energy: -112.703 flat angles P-C4'-P energy: -52.745 tors. eta vs tors. theta energy: -4.941 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: 10 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -2924.510216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.510216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.510216 (E_RNA) where: Base-Base interactions energy: -2060.049 where: short stacking energy: -858.189 Base-Backbone interact. energy: -5.748 local terms energy: -858.713442 where: bonds (distance) C4'-P energy: -168.953 bonds (distance) P-C4' energy: -155.920 flat angles C4'-P-C4' energy: -184.986 flat angles P-C4'-P energy: -118.979 tors. eta vs tors. theta energy: -229.875 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: 6 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -2899.841051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.841051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.841051 (E_RNA) where: Base-Base interactions energy: -2015.954 where: short stacking energy: -872.278 Base-Backbone interact. energy: -5.663 local terms energy: -878.224406 where: bonds (distance) C4'-P energy: -158.061 bonds (distance) P-C4' energy: -149.000 flat angles C4'-P-C4' energy: -183.462 flat angles P-C4'-P energy: -131.567 tors. eta vs tors. theta energy: -256.134 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: 4 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -2693.254670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.254670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.254670 (E_RNA) where: Base-Base interactions energy: -1856.091 where: short stacking energy: -793.750 Base-Backbone interact. energy: -4.638 local terms energy: -832.525000 where: bonds (distance) C4'-P energy: -161.434 bonds (distance) P-C4' energy: -155.556 flat angles C4'-P-C4' energy: -167.470 flat angles P-C4'-P energy: -117.429 tors. eta vs tors. theta energy: -230.636 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: 7 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -2581.048108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.048108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.048108 (E_RNA) where: Base-Base interactions energy: -1770.132 where: short stacking energy: -777.307 Base-Backbone interact. energy: -2.130 local terms energy: -808.785436 where: bonds (distance) C4'-P energy: -130.916 bonds (distance) P-C4' energy: -171.921 flat angles C4'-P-C4' energy: -170.226 flat angles P-C4'-P energy: -110.063 tors. eta vs tors. theta energy: -225.660 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: 9 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -2463.823143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.823143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.823143 (E_RNA) where: Base-Base interactions energy: -1726.225 where: short stacking energy: -740.320 Base-Backbone interact. energy: 2.512 local terms energy: -740.110833 where: bonds (distance) C4'-P energy: -117.929 bonds (distance) P-C4' energy: -147.295 flat angles C4'-P-C4' energy: -166.476 flat angles P-C4'-P energy: -117.456 tors. eta vs tors. theta energy: -190.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -2255.877038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.877038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.877038 (E_RNA) where: Base-Base interactions energy: -1530.200 where: short stacking energy: -661.617 Base-Backbone interact. energy: -2.068 local terms energy: -723.609413 where: bonds (distance) C4'-P energy: -137.071 bonds (distance) P-C4' energy: -143.395 flat angles C4'-P-C4' energy: -159.486 flat angles P-C4'-P energy: -95.368 tors. eta vs tors. theta energy: -188.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1919.792432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.792432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.792432 (E_RNA) where: Base-Base interactions energy: -1284.221 where: short stacking energy: -556.165 Base-Backbone interact. energy: -6.185 local terms energy: -629.386489 where: bonds (distance) C4'-P energy: -128.876 bonds (distance) P-C4' energy: -148.255 flat angles C4'-P-C4' energy: -137.614 flat angles P-C4'-P energy: -95.361 tors. eta vs tors. theta energy: -119.281 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: 8, replica: 2 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -1779.008059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.008059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.008059 (E_RNA) where: Base-Base interactions energy: -1179.232 where: short stacking energy: -526.920 Base-Backbone interact. energy: 0.344 local terms energy: -600.120615 where: bonds (distance) C4'-P energy: -124.621 bonds (distance) P-C4' energy: -122.364 flat angles C4'-P-C4' energy: -145.936 flat angles P-C4'-P energy: -90.389 tors. eta vs tors. theta energy: -116.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -1318.787160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.787160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.787160 (E_RNA) where: Base-Base interactions energy: -832.328 where: short stacking energy: -393.581 Base-Backbone interact. energy: 2.412 local terms energy: -488.870447 where: bonds (distance) C4'-P energy: -118.889 bonds (distance) P-C4' energy: -135.315 flat angles C4'-P-C4' energy: -122.306 flat angles P-C4'-P energy: -78.929 tors. eta vs tors. theta energy: -33.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -983.911899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.911899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.911899 (E_RNA) where: Base-Base interactions energy: -527.489 where: short stacking energy: -283.955 Base-Backbone interact. energy: 3.079 local terms energy: -459.502317 where: bonds (distance) C4'-P energy: -120.260 bonds (distance) P-C4' energy: -127.230 flat angles C4'-P-C4' energy: -130.603 flat angles P-C4'-P energy: -71.215 tors. eta vs tors. theta energy: -10.195 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: 10 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -2936.234605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.234605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.234605 (E_RNA) where: Base-Base interactions energy: -2074.346 where: short stacking energy: -851.852 Base-Backbone interact. energy: -4.676 local terms energy: -857.212294 where: bonds (distance) C4'-P energy: -151.799 bonds (distance) P-C4' energy: -156.313 flat angles C4'-P-C4' energy: -196.150 flat angles P-C4'-P energy: -118.609 tors. eta vs tors. theta energy: -234.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -2899.785123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.785123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.785123 (E_RNA) where: Base-Base interactions energy: -1993.119 where: short stacking energy: -868.787 Base-Backbone interact. energy: -3.009 local terms energy: -903.657517 where: bonds (distance) C4'-P energy: -157.706 bonds (distance) P-C4' energy: -167.052 flat angles C4'-P-C4' energy: -190.560 flat angles P-C4'-P energy: -133.610 tors. eta vs tors. theta energy: -254.728 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: 378 Temperature: 1.000000 Total energy: -2697.935601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.935601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.935601 (E_RNA) where: Base-Base interactions energy: -1863.405 where: short stacking energy: -832.668 Base-Backbone interact. energy: -0.173 local terms energy: -834.357768 where: bonds (distance) C4'-P energy: -158.774 bonds (distance) P-C4' energy: -151.341 flat angles C4'-P-C4' energy: -173.715 flat angles P-C4'-P energy: -108.397 tors. eta vs tors. theta energy: -242.130 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: 7 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -2581.059080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.059080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.059080 (E_RNA) where: Base-Base interactions energy: -1787.534 where: short stacking energy: -782.639 Base-Backbone interact. energy: -0.351 local terms energy: -793.173908 where: bonds (distance) C4'-P energy: -131.736 bonds (distance) P-C4' energy: -135.473 flat angles C4'-P-C4' energy: -175.928 flat angles P-C4'-P energy: -119.565 tors. eta vs tors. theta energy: -230.472 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: 9 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -2519.859655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.859655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.859655 (E_RNA) where: Base-Base interactions energy: -1738.584 where: short stacking energy: -770.891 Base-Backbone interact. energy: -3.745 local terms energy: -777.530417 where: bonds (distance) C4'-P energy: -154.154 bonds (distance) P-C4' energy: -134.209 flat angles C4'-P-C4' energy: -171.064 flat angles P-C4'-P energy: -98.666 tors. eta vs tors. theta energy: -219.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -2251.695901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.695901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.695901 (E_RNA) where: Base-Base interactions energy: -1512.310 where: short stacking energy: -665.811 Base-Backbone interact. energy: 1.256 local terms energy: -740.642132 where: bonds (distance) C4'-P energy: -142.993 bonds (distance) P-C4' energy: -136.059 flat angles C4'-P-C4' energy: -168.510 flat angles P-C4'-P energy: -107.597 tors. eta vs tors. theta energy: -185.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1943.056550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.056550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.056550 (E_RNA) where: Base-Base interactions energy: -1330.590 where: short stacking energy: -558.521 Base-Backbone interact. energy: -5.709 local terms energy: -606.757963 where: bonds (distance) C4'-P energy: -126.845 bonds (distance) P-C4' energy: -127.638 flat angles C4'-P-C4' energy: -124.973 flat angles P-C4'-P energy: -89.460 tors. eta vs tors. theta energy: -137.842 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: 8, replica: 2 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1717.785503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.785503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.785503 (E_RNA) where: Base-Base interactions energy: -1136.056 where: short stacking energy: -504.002 Base-Backbone interact. energy: -1.622 local terms energy: -580.107410 where: bonds (distance) C4'-P energy: -145.060 bonds (distance) P-C4' energy: -131.545 flat angles C4'-P-C4' energy: -143.295 flat angles P-C4'-P energy: -59.239 tors. eta vs tors. theta energy: -100.969 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: 9, replica: 1 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -1418.326207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.326207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.326207 (E_RNA) where: Base-Base interactions energy: -888.685 where: short stacking energy: -402.569 Base-Backbone interact. energy: -2.739 local terms energy: -526.902207 where: bonds (distance) C4'-P energy: -130.099 bonds (distance) P-C4' energy: -145.962 flat angles C4'-P-C4' energy: -112.140 flat angles P-C4'-P energy: -66.307 tors. eta vs tors. theta energy: -72.394 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: 3 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -998.511472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.511472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.511472 (E_RNA) where: Base-Base interactions energy: -544.802 where: short stacking energy: -301.417 Base-Backbone interact. energy: 4.942 local terms energy: -458.651877 where: bonds (distance) C4'-P energy: -125.510 bonds (distance) P-C4' energy: -120.299 flat angles C4'-P-C4' energy: -128.005 flat angles P-C4'-P energy: -66.390 tors. eta vs tors. theta energy: -18.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -2947.410755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.410755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.410755 (E_RNA) where: Base-Base interactions energy: -2102.948 where: short stacking energy: -849.705 Base-Backbone interact. energy: -0.024 local terms energy: -844.438708 where: bonds (distance) C4'-P energy: -165.218 bonds (distance) P-C4' energy: -152.456 flat angles C4'-P-C4' energy: -182.367 flat angles P-C4'-P energy: -111.975 tors. eta vs tors. theta energy: -232.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -2878.859640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.859640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.859640 (E_RNA) where: Base-Base interactions energy: -2028.905 where: short stacking energy: -829.694 Base-Backbone interact. energy: -2.068 local terms energy: -847.886576 where: bonds (distance) C4'-P energy: -138.435 bonds (distance) P-C4' energy: -157.267 flat angles C4'-P-C4' energy: -179.660 flat angles P-C4'-P energy: -122.154 tors. eta vs tors. theta energy: -250.371 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: 3, replica: 4 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -2695.092763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.092763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.092763 (E_RNA) where: Base-Base interactions energy: -1843.669 where: short stacking energy: -794.341 Base-Backbone interact. energy: -1.694 local terms energy: -849.730154 where: bonds (distance) C4'-P energy: -148.253 bonds (distance) P-C4' energy: -156.018 flat angles C4'-P-C4' energy: -192.368 flat angles P-C4'-P energy: -120.369 tors. eta vs tors. theta energy: -232.722 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: 7 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -2642.928821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.928821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.928821 (E_RNA) where: Base-Base interactions energy: -1845.692 where: short stacking energy: -809.107 Base-Backbone interact. energy: -1.921 local terms energy: -795.316470 where: bonds (distance) C4'-P energy: -135.949 bonds (distance) P-C4' energy: -156.637 flat angles C4'-P-C4' energy: -161.863 flat angles P-C4'-P energy: -104.691 tors. eta vs tors. theta energy: -236.177 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: 9 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -2473.731879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.731879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.731879 (E_RNA) where: Base-Base interactions energy: -1695.699 where: short stacking energy: -732.029 Base-Backbone interact. energy: -3.428 local terms energy: -774.604861 where: bonds (distance) C4'-P energy: -143.610 bonds (distance) P-C4' energy: -155.330 flat angles C4'-P-C4' energy: -166.106 flat angles P-C4'-P energy: -93.429 tors. eta vs tors. theta energy: -216.129 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: 6, replica: 5 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -2267.303642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.303642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.303642 (E_RNA) where: Base-Base interactions energy: -1562.848 where: short stacking energy: -643.691 Base-Backbone interact. energy: -0.775 local terms energy: -703.680800 where: bonds (distance) C4'-P energy: -132.573 bonds (distance) P-C4' energy: -144.035 flat angles C4'-P-C4' energy: -160.187 flat angles P-C4'-P energy: -85.024 tors. eta vs tors. theta energy: -181.862 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: 8 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1968.154341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.154341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.154341 (E_RNA) where: Base-Base interactions energy: -1311.142 where: short stacking energy: -556.599 Base-Backbone interact. energy: -1.393 local terms energy: -655.620015 where: bonds (distance) C4'-P energy: -144.834 bonds (distance) P-C4' energy: -138.850 flat angles C4'-P-C4' energy: -142.518 flat angles P-C4'-P energy: -88.552 tors. eta vs tors. theta energy: -140.866 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: 8, replica: 2 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1787.231667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.231667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.231667 (E_RNA) where: Base-Base interactions energy: -1178.601 where: short stacking energy: -533.980 Base-Backbone interact. energy: -2.981 local terms energy: -605.650083 where: bonds (distance) C4'-P energy: -127.211 bonds (distance) P-C4' energy: -128.194 flat angles C4'-P-C4' energy: -148.830 flat angles P-C4'-P energy: -94.455 tors. eta vs tors. theta energy: -106.960 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: 1 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -1462.984730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.984730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.984730 (E_RNA) where: Base-Base interactions energy: -917.140 where: short stacking energy: -417.013 Base-Backbone interact. energy: 7.892 local terms energy: -553.736120 where: bonds (distance) C4'-P energy: -125.213 bonds (distance) P-C4' energy: -143.599 flat angles C4'-P-C4' energy: -138.456 flat angles P-C4'-P energy: -88.617 tors. eta vs tors. theta energy: -57.851 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: 10, replica: 3 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -958.393394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.393394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.393394 (E_RNA) where: Base-Base interactions energy: -526.851 where: short stacking energy: -296.310 Base-Backbone interact. energy: 2.273 local terms energy: -433.816188 where: bonds (distance) C4'-P energy: -109.224 bonds (distance) P-C4' energy: -139.270 flat angles C4'-P-C4' energy: -104.991 flat angles P-C4'-P energy: -68.019 tors. eta vs tors. theta energy: -12.313 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: 10 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -2953.665255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.665255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.665255 (E_RNA) where: Base-Base interactions energy: -2078.487 where: short stacking energy: -872.749 Base-Backbone interact. energy: -4.531 local terms energy: -870.647955 where: bonds (distance) C4'-P energy: -149.723 bonds (distance) P-C4' energy: -166.823 flat angles C4'-P-C4' energy: -193.317 flat angles P-C4'-P energy: -116.665 tors. eta vs tors. theta energy: -244.121 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: 2, replica: 6 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -2874.110858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.110858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.110858 (E_RNA) where: Base-Base interactions energy: -2016.417 where: short stacking energy: -832.161 Base-Backbone interact. energy: -5.438 local terms energy: -852.255799 where: bonds (distance) C4'-P energy: -143.507 bonds (distance) P-C4' energy: -154.105 flat angles C4'-P-C4' energy: -186.265 flat angles P-C4'-P energy: -125.343 tors. eta vs tors. theta energy: -243.036 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: 3, replica: 4 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2671.910309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.910309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.910309 (E_RNA) where: Base-Base interactions energy: -1829.417 where: short stacking energy: -815.564 Base-Backbone interact. energy: -4.495 local terms energy: -837.998114 where: bonds (distance) C4'-P energy: -152.103 bonds (distance) P-C4' energy: -157.156 flat angles C4'-P-C4' energy: -185.608 flat angles P-C4'-P energy: -114.139 tors. eta vs tors. theta energy: -228.992 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: 4, replica: 7 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -2670.245193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.245193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.245193 (E_RNA) where: Base-Base interactions energy: -1853.698 where: short stacking energy: -785.155 Base-Backbone interact. energy: -3.452 local terms energy: -813.094527 where: bonds (distance) C4'-P energy: -130.161 bonds (distance) P-C4' energy: -152.677 flat angles C4'-P-C4' energy: -178.381 flat angles P-C4'-P energy: -119.379 tors. eta vs tors. theta energy: -232.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -2420.593418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.593418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.593418 (E_RNA) where: Base-Base interactions energy: -1687.673 where: short stacking energy: -707.051 Base-Backbone interact. energy: 0.142 local terms energy: -733.061913 where: bonds (distance) C4'-P energy: -131.615 bonds (distance) P-C4' energy: -137.478 flat angles C4'-P-C4' energy: -166.901 flat angles P-C4'-P energy: -114.308 tors. eta vs tors. theta energy: -182.760 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: 6, replica: 5 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -2231.537288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.537288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.537288 (E_RNA) where: Base-Base interactions energy: -1514.333 where: short stacking energy: -628.473 Base-Backbone interact. energy: -4.056 local terms energy: -713.148165 where: bonds (distance) C4'-P energy: -129.611 bonds (distance) P-C4' energy: -153.326 flat angles C4'-P-C4' energy: -165.550 flat angles P-C4'-P energy: -106.121 tors. eta vs tors. theta energy: -158.541 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: 7, replica: 8 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1942.453815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.453815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.453815 (E_RNA) where: Base-Base interactions energy: -1283.823 where: short stacking energy: -564.425 Base-Backbone interact. energy: -3.302 local terms energy: -655.328694 where: bonds (distance) C4'-P energy: -136.891 bonds (distance) P-C4' energy: -124.857 flat angles C4'-P-C4' energy: -142.591 flat angles P-C4'-P energy: -105.639 tors. eta vs tors. theta energy: -145.351 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: 8, replica: 2 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1839.719006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.719006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.719006 (E_RNA) where: Base-Base interactions energy: -1240.097 where: short stacking energy: -549.477 Base-Backbone interact. energy: 18.595 local terms energy: -618.217533 where: bonds (distance) C4'-P energy: -152.161 bonds (distance) P-C4' energy: -118.484 flat angles C4'-P-C4' energy: -145.919 flat angles P-C4'-P energy: -86.945 tors. eta vs tors. theta energy: -114.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -1445.517816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.517816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.517816 (E_RNA) where: Base-Base interactions energy: -916.219 where: short stacking energy: -451.460 Base-Backbone interact. energy: 5.269 local terms energy: -534.568054 where: bonds (distance) C4'-P energy: -120.743 bonds (distance) P-C4' energy: -141.671 flat angles C4'-P-C4' energy: -113.861 flat angles P-C4'-P energy: -86.160 tors. eta vs tors. theta energy: -72.133 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: 3 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -939.683016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.683016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.683016 (E_RNA) where: Base-Base interactions energy: -503.170 where: short stacking energy: -259.748 Base-Backbone interact. energy: 3.916 local terms energy: -440.429585 where: bonds (distance) C4'-P energy: -133.897 bonds (distance) P-C4' energy: -123.863 flat angles C4'-P-C4' energy: -127.073 flat angles P-C4'-P energy: -57.411 tors. eta vs tors. theta energy: 1.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -2934.458378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.458378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.458378 (E_RNA) where: Base-Base interactions energy: -2062.524 where: short stacking energy: -875.931 Base-Backbone interact. energy: -5.026 local terms energy: -866.908235 where: bonds (distance) C4'-P energy: -171.444 bonds (distance) P-C4' energy: -159.438 flat angles C4'-P-C4' energy: -174.774 flat angles P-C4'-P energy: -116.022 tors. eta vs tors. theta energy: -245.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -2889.114870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.114870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.114870 (E_RNA) where: Base-Base interactions energy: -2022.857 where: short stacking energy: -850.750 Base-Backbone interact. energy: -6.804 local terms energy: -859.453680 where: bonds (distance) C4'-P energy: -140.877 bonds (distance) P-C4' energy: -172.161 flat angles C4'-P-C4' energy: -170.358 flat angles P-C4'-P energy: -126.282 tors. eta vs tors. theta energy: -249.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -2724.590750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.590750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.590750 (E_RNA) where: Base-Base interactions energy: -1907.383 where: short stacking energy: -828.961 Base-Backbone interact. energy: 5.390 local terms energy: -822.598442 where: bonds (distance) C4'-P energy: -146.200 bonds (distance) P-C4' energy: -155.109 flat angles C4'-P-C4' energy: -179.169 flat angles P-C4'-P energy: -118.245 tors. eta vs tors. theta energy: -223.876 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: 7 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -2628.109377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.109377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.109377 (E_RNA) where: Base-Base interactions energy: -1831.196 where: short stacking energy: -779.912 Base-Backbone interact. energy: 1.440 local terms energy: -798.353379 where: bonds (distance) C4'-P energy: -131.190 bonds (distance) P-C4' energy: -167.285 flat angles C4'-P-C4' energy: -171.701 flat angles P-C4'-P energy: -99.658 tors. eta vs tors. theta energy: -228.519 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: 5, replica: 9 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -2485.836659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.836659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.836659 (E_RNA) where: Base-Base interactions energy: -1739.381 where: short stacking energy: -744.547 Base-Backbone interact. energy: 0.009 local terms energy: -746.463830 where: bonds (distance) C4'-P energy: -137.895 bonds (distance) P-C4' energy: -147.929 flat angles C4'-P-C4' energy: -170.932 flat angles P-C4'-P energy: -91.662 tors. eta vs tors. theta energy: -198.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -2226.526129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.526129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.526129 (E_RNA) where: Base-Base interactions energy: -1531.176 where: short stacking energy: -658.954 Base-Backbone interact. energy: -2.050 local terms energy: -693.300392 where: bonds (distance) C4'-P energy: -137.591 bonds (distance) P-C4' energy: -144.002 flat angles C4'-P-C4' energy: -146.666 flat angles P-C4'-P energy: -103.028 tors. eta vs tors. theta energy: -162.014 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: 7, replica: 8 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -1961.754504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.754504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.754504 (E_RNA) where: Base-Base interactions energy: -1291.219 where: short stacking energy: -582.662 Base-Backbone interact. energy: -3.828 local terms energy: -666.707060 where: bonds (distance) C4'-P energy: -140.579 bonds (distance) P-C4' energy: -150.560 flat angles C4'-P-C4' energy: -138.604 flat angles P-C4'-P energy: -90.205 tors. eta vs tors. theta energy: -146.760 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: 8, replica: 2 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1869.587814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.587814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.587814 (E_RNA) where: Base-Base interactions energy: -1261.218 where: short stacking energy: -542.218 Base-Backbone interact. energy: -2.418 local terms energy: -605.951778 where: bonds (distance) C4'-P energy: -128.859 bonds (distance) P-C4' energy: -107.076 flat angles C4'-P-C4' energy: -142.867 flat angles P-C4'-P energy: -96.437 tors. eta vs tors. theta energy: -130.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -1385.850491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.850491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.850491 (E_RNA) where: Base-Base interactions energy: -863.818 where: short stacking energy: -379.909 Base-Backbone interact. energy: -0.938 local terms energy: -521.094143 where: bonds (distance) C4'-P energy: -133.239 bonds (distance) P-C4' energy: -131.429 flat angles C4'-P-C4' energy: -129.085 flat angles P-C4'-P energy: -69.688 tors. eta vs tors. theta energy: -57.654 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: 3 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -954.439106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.439106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.439106 (E_RNA) where: Base-Base interactions energy: -493.272 where: short stacking energy: -273.714 Base-Backbone interact. energy: 1.987 local terms energy: -463.153531 where: bonds (distance) C4'-P energy: -110.616 bonds (distance) P-C4' energy: -145.266 flat angles C4'-P-C4' energy: -141.090 flat angles P-C4'-P energy: -65.892 tors. eta vs tors. theta energy: -0.290 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: 1, replica: 10 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -2932.951226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.951226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.951226 (E_RNA) where: Base-Base interactions energy: -2080.676 where: short stacking energy: -865.902 Base-Backbone interact. energy: -4.645 local terms energy: -847.630751 where: bonds (distance) C4'-P energy: -144.171 bonds (distance) P-C4' energy: -162.234 flat angles C4'-P-C4' energy: -187.335 flat angles P-C4'-P energy: -118.470 tors. eta vs tors. theta energy: -235.421 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: 6 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -2879.982792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.982792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.982792 (E_RNA) where: Base-Base interactions energy: -2008.517 where: short stacking energy: -853.966 Base-Backbone interact. energy: -3.374 local terms energy: -868.092176 where: bonds (distance) C4'-P energy: -178.512 bonds (distance) P-C4' energy: -154.500 flat angles C4'-P-C4' energy: -177.834 flat angles P-C4'-P energy: -112.616 tors. eta vs tors. theta energy: -244.630 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: 4 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -2755.806955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.806955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.806955 (E_RNA) where: Base-Base interactions energy: -1911.685 where: short stacking energy: -844.344 Base-Backbone interact. energy: -3.261 local terms energy: -840.861050 where: bonds (distance) C4'-P energy: -160.006 bonds (distance) P-C4' energy: -154.097 flat angles C4'-P-C4' energy: -176.278 flat angles P-C4'-P energy: -115.216 tors. eta vs tors. theta energy: -235.264 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: 7 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -2673.262387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.262387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.262387 (E_RNA) where: Base-Base interactions energy: -1848.437 where: short stacking energy: -819.601 Base-Backbone interact. energy: -5.202 local terms energy: -819.623896 where: bonds (distance) C4'-P energy: -152.447 bonds (distance) P-C4' energy: -144.963 flat angles C4'-P-C4' energy: -189.352 flat angles P-C4'-P energy: -100.666 tors. eta vs tors. theta energy: -232.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -2477.999424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.999424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.999424 (E_RNA) where: Base-Base interactions energy: -1729.356 where: short stacking energy: -746.530 Base-Backbone interact. energy: -2.678 local terms energy: -745.965444 where: bonds (distance) C4'-P energy: -140.119 bonds (distance) P-C4' energy: -125.003 flat angles C4'-P-C4' energy: -153.960 flat angles P-C4'-P energy: -120.101 tors. eta vs tors. theta energy: -206.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -2223.356352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.356352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.356352 (E_RNA) where: Base-Base interactions energy: -1525.197 where: short stacking energy: -661.032 Base-Backbone interact. energy: 1.334 local terms energy: -699.492923 where: bonds (distance) C4'-P energy: -137.382 bonds (distance) P-C4' energy: -152.404 flat angles C4'-P-C4' energy: -149.864 flat angles P-C4'-P energy: -91.648 tors. eta vs tors. theta energy: -168.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -2039.734144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.734144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.734144 (E_RNA) where: Base-Base interactions energy: -1353.694 where: short stacking energy: -594.432 Base-Backbone interact. energy: -0.944 local terms energy: -685.095988 where: bonds (distance) C4'-P energy: -128.213 bonds (distance) P-C4' energy: -155.984 flat angles C4'-P-C4' energy: -156.065 flat angles P-C4'-P energy: -83.808 tors. eta vs tors. theta energy: -161.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1838.036642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.036642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.036642 (E_RNA) where: Base-Base interactions energy: -1211.705 where: short stacking energy: -505.433 Base-Backbone interact. energy: -1.257 local terms energy: -625.074827 where: bonds (distance) C4'-P energy: -131.037 bonds (distance) P-C4' energy: -148.158 flat angles C4'-P-C4' energy: -138.719 flat angles P-C4'-P energy: -95.038 tors. eta vs tors. theta energy: -112.123 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: 9, replica: 1 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -1387.294059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.294059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.294059 (E_RNA) where: Base-Base interactions energy: -849.503 where: short stacking energy: -411.306 Base-Backbone interact. energy: -1.873 local terms energy: -535.918360 where: bonds (distance) C4'-P energy: -125.927 bonds (distance) P-C4' energy: -143.277 flat angles C4'-P-C4' energy: -142.434 flat angles P-C4'-P energy: -66.974 tors. eta vs tors. theta energy: -57.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -976.742583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.742583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.742583 (E_RNA) where: Base-Base interactions energy: -558.699 where: short stacking energy: -311.789 Base-Backbone interact. energy: 2.414 local terms energy: -420.458391 where: bonds (distance) C4'-P energy: -108.977 bonds (distance) P-C4' energy: -139.634 flat angles C4'-P-C4' energy: -91.683 flat angles P-C4'-P energy: -52.767 tors. eta vs tors. theta energy: -27.398 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: 10 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -2912.001515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.001515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.001515 (E_RNA) where: Base-Base interactions energy: -2051.289 where: short stacking energy: -848.900 Base-Backbone interact. energy: 4.062 local terms energy: -864.774258 where: bonds (distance) C4'-P energy: -159.360 bonds (distance) P-C4' energy: -161.333 flat angles C4'-P-C4' energy: -183.883 flat angles P-C4'-P energy: -122.029 tors. eta vs tors. theta energy: -238.168 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: 2, replica: 6 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -2880.868786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.868786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.868786 (E_RNA) where: Base-Base interactions energy: -2026.776 where: short stacking energy: -852.286 Base-Backbone interact. energy: -2.193 local terms energy: -851.899580 where: bonds (distance) C4'-P energy: -145.687 bonds (distance) P-C4' energy: -160.233 flat angles C4'-P-C4' energy: -171.642 flat angles P-C4'-P energy: -127.749 tors. eta vs tors. theta energy: -246.588 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: 4 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -2750.847693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.847693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.847693 (E_RNA) where: Base-Base interactions energy: -1902.873 where: short stacking energy: -810.028 Base-Backbone interact. energy: -2.627 local terms energy: -845.347227 where: bonds (distance) C4'-P energy: -161.277 bonds (distance) P-C4' energy: -147.854 flat angles C4'-P-C4' energy: -185.533 flat angles P-C4'-P energy: -111.004 tors. eta vs tors. theta energy: -239.679 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: 4, replica: 7 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -2656.662808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.662808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.662808 (E_RNA) where: Base-Base interactions energy: -1847.295 where: short stacking energy: -789.043 Base-Backbone interact. energy: -3.368 local terms energy: -805.999705 where: bonds (distance) C4'-P energy: -142.636 bonds (distance) P-C4' energy: -148.527 flat angles C4'-P-C4' energy: -173.224 flat angles P-C4'-P energy: -99.965 tors. eta vs tors. theta energy: -241.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -2478.873765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.873765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.873765 (E_RNA) where: Base-Base interactions energy: -1782.373 where: short stacking energy: -732.436 Base-Backbone interact. energy: -2.981 local terms energy: -693.519805 where: bonds (distance) C4'-P energy: -132.161 bonds (distance) P-C4' energy: -129.080 flat angles C4'-P-C4' energy: -142.378 flat angles P-C4'-P energy: -101.065 tors. eta vs tors. theta energy: -188.835 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: 383 Temperature: 1.150000 Total energy: -2325.824883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.824883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.824883 (E_RNA) where: Base-Base interactions energy: -1583.106 where: short stacking energy: -692.442 Base-Backbone interact. energy: -2.251 local terms energy: -740.467893 where: bonds (distance) C4'-P energy: -124.023 bonds (distance) P-C4' energy: -145.321 flat angles C4'-P-C4' energy: -160.582 flat angles P-C4'-P energy: -113.220 tors. eta vs tors. theta energy: -197.321 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: 7, replica: 8 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -2081.640796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.640796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.640796 (E_RNA) where: Base-Base interactions energy: -1377.103 where: short stacking energy: -621.932 Base-Backbone interact. energy: 4.738 local terms energy: -709.275650 where: bonds (distance) C4'-P energy: -131.432 bonds (distance) P-C4' energy: -153.511 flat angles C4'-P-C4' energy: -160.519 flat angles P-C4'-P energy: -88.711 tors. eta vs tors. theta energy: -175.103 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: 2 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -1803.448985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.448985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.448985 (E_RNA) where: Base-Base interactions energy: -1185.715 where: short stacking energy: -540.563 Base-Backbone interact. energy: -0.181 local terms energy: -617.553142 where: bonds (distance) C4'-P energy: -136.819 bonds (distance) P-C4' energy: -135.309 flat angles C4'-P-C4' energy: -139.099 flat angles P-C4'-P energy: -87.064 tors. eta vs tors. theta energy: -119.261 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: 9, replica: 1 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -1333.591997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.591997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.591997 (E_RNA) where: Base-Base interactions energy: -856.706 where: short stacking energy: -414.598 Base-Backbone interact. energy: -0.888 local terms energy: -475.997934 where: bonds (distance) C4'-P energy: -120.424 bonds (distance) P-C4' energy: -94.399 flat angles C4'-P-C4' energy: -113.345 flat angles P-C4'-P energy: -76.898 tors. eta vs tors. theta energy: -70.933 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: 10, replica: 3 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -1024.594240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.594240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.594240 (E_RNA) where: Base-Base interactions energy: -535.637 where: short stacking energy: -295.992 Base-Backbone interact. energy: -4.087 local terms energy: -484.869881 where: bonds (distance) C4'-P energy: -136.232 bonds (distance) P-C4' energy: -117.839 flat angles C4'-P-C4' energy: -134.007 flat angles P-C4'-P energy: -64.850 tors. eta vs tors. theta energy: -31.941 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: 10 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -2924.075884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.075884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.075884 (E_RNA) where: Base-Base interactions energy: -2053.907 where: short stacking energy: -845.115 Base-Backbone interact. energy: -6.601 local terms energy: -863.567543 where: bonds (distance) C4'-P energy: -167.762 bonds (distance) P-C4' energy: -156.102 flat angles C4'-P-C4' energy: -184.670 flat angles P-C4'-P energy: -128.714 tors. eta vs tors. theta energy: -226.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -2871.375399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.375399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.375399 (E_RNA) where: Base-Base interactions energy: -1985.175 where: short stacking energy: -855.254 Base-Backbone interact. energy: -2.771 local terms energy: -883.429713 where: bonds (distance) C4'-P energy: -160.193 bonds (distance) P-C4' energy: -163.294 flat angles C4'-P-C4' energy: -193.192 flat angles P-C4'-P energy: -112.557 tors. eta vs tors. theta energy: -254.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2724.594216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.594216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.594216 (E_RNA) where: Base-Base interactions energy: -1898.138 where: short stacking energy: -824.684 Base-Backbone interact. energy: -3.985 local terms energy: -822.471030 where: bonds (distance) C4'-P energy: -142.915 bonds (distance) P-C4' energy: -135.940 flat angles C4'-P-C4' energy: -183.161 flat angles P-C4'-P energy: -117.263 tors. eta vs tors. theta energy: -243.192 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: 7 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -2632.414895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.414895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.414895 (E_RNA) where: Base-Base interactions energy: -1839.385 where: short stacking energy: -807.382 Base-Backbone interact. energy: -0.063 local terms energy: -792.966348 where: bonds (distance) C4'-P energy: -129.277 bonds (distance) P-C4' energy: -147.054 flat angles C4'-P-C4' energy: -167.039 flat angles P-C4'-P energy: -121.361 tors. eta vs tors. theta energy: -228.235 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: 5, replica: 9 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -2522.901093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.901093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.901093 (E_RNA) where: Base-Base interactions energy: -1765.740 where: short stacking energy: -769.755 Base-Backbone interact. energy: 3.640 local terms energy: -760.801214 where: bonds (distance) C4'-P energy: -138.755 bonds (distance) P-C4' energy: -137.933 flat angles C4'-P-C4' energy: -166.475 flat angles P-C4'-P energy: -109.448 tors. eta vs tors. theta energy: -208.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -2339.102824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.102824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.102824 (E_RNA) where: Base-Base interactions energy: -1627.135 where: short stacking energy: -713.203 Base-Backbone interact. energy: 6.231 local terms energy: -718.198320 where: bonds (distance) C4'-P energy: -129.895 bonds (distance) P-C4' energy: -139.776 flat angles C4'-P-C4' energy: -153.348 flat angles P-C4'-P energy: -95.325 tors. eta vs tors. theta energy: -199.855 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: 7, replica: 8 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -2052.079891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.079891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.079891 (E_RNA) where: Base-Base interactions energy: -1398.536 where: short stacking energy: -605.034 Base-Backbone interact. energy: -1.637 local terms energy: -651.906695 where: bonds (distance) C4'-P energy: -126.351 bonds (distance) P-C4' energy: -135.321 flat angles C4'-P-C4' energy: -149.611 flat angles P-C4'-P energy: -87.843 tors. eta vs tors. theta energy: -152.780 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: 2 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -1724.934940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.934940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.934940 (E_RNA) where: Base-Base interactions energy: -1132.473 where: short stacking energy: -503.836 Base-Backbone interact. energy: 7.599 local terms energy: -600.060698 where: bonds (distance) C4'-P energy: -130.477 bonds (distance) P-C4' energy: -137.029 flat angles C4'-P-C4' energy: -140.918 flat angles P-C4'-P energy: -88.896 tors. eta vs tors. theta energy: -102.740 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: 1 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -1450.833611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.833611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.833611 (E_RNA) where: Base-Base interactions energy: -897.550 where: short stacking energy: -413.398 Base-Backbone interact. energy: -1.154 local terms energy: -552.129297 where: bonds (distance) C4'-P energy: -128.197 bonds (distance) P-C4' energy: -143.747 flat angles C4'-P-C4' energy: -128.245 flat angles P-C4'-P energy: -77.723 tors. eta vs tors. theta energy: -74.217 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: 3 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -997.801354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.801354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.801354 (E_RNA) where: Base-Base interactions energy: -547.084 where: short stacking energy: -310.988 Base-Backbone interact. energy: 2.646 local terms energy: -453.363947 where: bonds (distance) C4'-P energy: -123.552 bonds (distance) P-C4' energy: -136.839 flat angles C4'-P-C4' energy: -110.629 flat angles P-C4'-P energy: -63.245 tors. eta vs tors. theta energy: -19.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -2933.410928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.410928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.410928 (E_RNA) where: Base-Base interactions energy: -2028.885 where: short stacking energy: -869.819 Base-Backbone interact. energy: -1.223 local terms energy: -903.302937 where: bonds (distance) C4'-P energy: -181.737 bonds (distance) P-C4' energy: -168.630 flat angles C4'-P-C4' energy: -190.733 flat angles P-C4'-P energy: -122.504 tors. eta vs tors. theta energy: -239.699 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: 6 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -2908.768322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.768322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.768322 (E_RNA) where: Base-Base interactions energy: -2029.196 where: short stacking energy: -865.691 Base-Backbone interact. energy: -5.945 local terms energy: -873.627392 where: bonds (distance) C4'-P energy: -152.762 bonds (distance) P-C4' energy: -161.216 flat angles C4'-P-C4' energy: -189.528 flat angles P-C4'-P energy: -125.702 tors. eta vs tors. theta energy: -244.418 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: 3, replica: 4 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -2739.162541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.162541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.162541 (E_RNA) where: Base-Base interactions energy: -1901.181 where: short stacking energy: -818.185 Base-Backbone interact. energy: -1.623 local terms energy: -836.358737 where: bonds (distance) C4'-P energy: -144.598 bonds (distance) P-C4' energy: -166.621 flat angles C4'-P-C4' energy: -185.972 flat angles P-C4'-P energy: -108.139 tors. eta vs tors. theta energy: -231.029 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: 7 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -2631.130407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.130407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.130407 (E_RNA) where: Base-Base interactions energy: -1846.059 where: short stacking energy: -800.664 Base-Backbone interact. energy: -3.654 local terms energy: -781.417302 where: bonds (distance) C4'-P energy: -121.866 bonds (distance) P-C4' energy: -152.247 flat angles C4'-P-C4' energy: -166.719 flat angles P-C4'-P energy: -103.818 tors. eta vs tors. theta energy: -236.767 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: 385 Temperature: 1.100000 Total energy: -2513.477146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.477146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.477146 (E_RNA) where: Base-Base interactions energy: -1735.860 where: short stacking energy: -765.490 Base-Backbone interact. energy: -2.774 local terms energy: -774.842635 where: bonds (distance) C4'-P energy: -134.469 bonds (distance) P-C4' energy: -147.458 flat angles C4'-P-C4' energy: -176.896 flat angles P-C4'-P energy: -106.411 tors. eta vs tors. theta energy: -209.608 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: 6, replica: 5 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -2328.257981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.257981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.257981 (E_RNA) where: Base-Base interactions energy: -1596.623 where: short stacking energy: -713.851 Base-Backbone interact. energy: 4.388 local terms energy: -736.023128 where: bonds (distance) C4'-P energy: -147.248 bonds (distance) P-C4' energy: -138.888 flat angles C4'-P-C4' energy: -160.449 flat angles P-C4'-P energy: -101.611 tors. eta vs tors. theta energy: -187.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -1994.428308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.428308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.428308 (E_RNA) where: Base-Base interactions energy: -1353.144 where: short stacking energy: -558.215 Base-Backbone interact. energy: -2.495 local terms energy: -638.789095 where: bonds (distance) C4'-P energy: -126.107 bonds (distance) P-C4' energy: -145.545 flat angles C4'-P-C4' energy: -139.457 flat angles P-C4'-P energy: -90.171 tors. eta vs tors. theta energy: -137.508 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: 8, replica: 2 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1731.417737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.417737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.417737 (E_RNA) where: Base-Base interactions energy: -1131.593 where: short stacking energy: -517.793 Base-Backbone interact. energy: -1.294 local terms energy: -598.530479 where: bonds (distance) C4'-P energy: -132.137 bonds (distance) P-C4' energy: -141.902 flat angles C4'-P-C4' energy: -135.086 flat angles P-C4'-P energy: -73.131 tors. eta vs tors. theta energy: -116.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -1350.482763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.482763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.482763 (E_RNA) where: Base-Base interactions energy: -829.660 where: short stacking energy: -398.849 Base-Backbone interact. energy: 1.468 local terms energy: -522.290681 where: bonds (distance) C4'-P energy: -106.566 bonds (distance) P-C4' energy: -151.306 flat angles C4'-P-C4' energy: -127.627 flat angles P-C4'-P energy: -88.278 tors. eta vs tors. theta energy: -48.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -920.762557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.762557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.762557 (E_RNA) where: Base-Base interactions energy: -512.128 where: short stacking energy: -266.983 Base-Backbone interact. energy: 8.122 local terms energy: -416.756381 where: bonds (distance) C4'-P energy: -116.117 bonds (distance) P-C4' energy: -104.462 flat angles C4'-P-C4' energy: -114.086 flat angles P-C4'-P energy: -66.614 tors. eta vs tors. theta energy: -15.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -2937.195753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.195753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.195753 (E_RNA) where: Base-Base interactions energy: -2047.913 where: short stacking energy: -849.918 Base-Backbone interact. energy: -5.800 local terms energy: -883.482864 where: bonds (distance) C4'-P energy: -167.911 bonds (distance) P-C4' energy: -154.963 flat angles C4'-P-C4' energy: -198.909 flat angles P-C4'-P energy: -121.476 tors. eta vs tors. theta energy: -240.224 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: 6 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -2903.266861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.266861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.266861 (E_RNA) where: Base-Base interactions energy: -2056.267 where: short stacking energy: -882.415 Base-Backbone interact. energy: -1.097 local terms energy: -845.902984 where: bonds (distance) C4'-P energy: -145.633 bonds (distance) P-C4' energy: -147.994 flat angles C4'-P-C4' energy: -185.249 flat angles P-C4'-P energy: -117.358 tors. eta vs tors. theta energy: -249.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -2692.149453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.149453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.149453 (E_RNA) where: Base-Base interactions energy: -1849.811 where: short stacking energy: -807.802 Base-Backbone interact. energy: -2.704 local terms energy: -839.633910 where: bonds (distance) C4'-P energy: -147.502 bonds (distance) P-C4' energy: -164.240 flat angles C4'-P-C4' energy: -177.934 flat angles P-C4'-P energy: -132.823 tors. eta vs tors. theta energy: -217.134 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: 7 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -2636.714104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.714104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.714104 (E_RNA) where: Base-Base interactions energy: -1820.510 where: short stacking energy: -789.823 Base-Backbone interact. energy: 1.089 local terms energy: -817.292676 where: bonds (distance) C4'-P energy: -133.261 bonds (distance) P-C4' energy: -150.241 flat angles C4'-P-C4' energy: -182.983 flat angles P-C4'-P energy: -118.603 tors. eta vs tors. theta energy: -232.204 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: 9 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -2453.804383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.804383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.804383 (E_RNA) where: Base-Base interactions energy: -1694.622 where: short stacking energy: -734.899 Base-Backbone interact. energy: -3.112 local terms energy: -756.070445 where: bonds (distance) C4'-P energy: -141.239 bonds (distance) P-C4' energy: -153.745 flat angles C4'-P-C4' energy: -152.504 flat angles P-C4'-P energy: -115.115 tors. eta vs tors. theta energy: -193.467 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: 386 Temperature: 1.150000 Total energy: -2337.552738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.552738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.552738 (E_RNA) where: Base-Base interactions energy: -1592.539 where: short stacking energy: -710.247 Base-Backbone interact. energy: -1.789 local terms energy: -743.224274 where: bonds (distance) C4'-P energy: -162.154 bonds (distance) P-C4' energy: -121.549 flat angles C4'-P-C4' energy: -160.333 flat angles P-C4'-P energy: -100.233 tors. eta vs tors. theta energy: -198.955 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: 8 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -2059.226746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.226746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.226746 (E_RNA) where: Base-Base interactions energy: -1385.859 where: short stacking energy: -601.617 Base-Backbone interact. energy: 2.744 local terms energy: -676.112130 where: bonds (distance) C4'-P energy: -150.492 bonds (distance) P-C4' energy: -122.783 flat angles C4'-P-C4' energy: -162.105 flat angles P-C4'-P energy: -82.297 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: 8, replica: 2 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1747.601480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.601480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.601480 (E_RNA) where: Base-Base interactions energy: -1124.686 where: short stacking energy: -489.186 Base-Backbone interact. energy: -4.474 local terms energy: -618.440957 where: bonds (distance) C4'-P energy: -131.764 bonds (distance) P-C4' energy: -138.142 flat angles C4'-P-C4' energy: -133.724 flat angles P-C4'-P energy: -94.904 tors. eta vs tors. theta energy: -119.908 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: 1 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -1406.310373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.310373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.310373 (E_RNA) where: Base-Base interactions energy: -884.366 where: short stacking energy: -406.331 Base-Backbone interact. energy: -0.513 local terms energy: -521.431368 where: bonds (distance) C4'-P energy: -123.923 bonds (distance) P-C4' energy: -125.564 flat angles C4'-P-C4' energy: -132.495 flat angles P-C4'-P energy: -67.347 tors. eta vs tors. theta energy: -72.103 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: 10, replica: 3 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -931.276119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.276119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.276119 (E_RNA) where: Base-Base interactions energy: -504.127 where: short stacking energy: -257.589 Base-Backbone interact. energy: 0.282 local terms energy: -427.431606 where: bonds (distance) C4'-P energy: -125.170 bonds (distance) P-C4' energy: -129.849 flat angles C4'-P-C4' energy: -108.868 flat angles P-C4'-P energy: -80.277 tors. eta vs tors. theta energy: 16.732 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: 1, replica: 10 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -2928.933584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.933584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.933584 (E_RNA) where: Base-Base interactions energy: -2032.876 where: short stacking energy: -852.637 Base-Backbone interact. energy: -5.559 local terms energy: -890.498648 where: bonds (distance) C4'-P energy: -156.903 bonds (distance) P-C4' energy: -172.842 flat angles C4'-P-C4' energy: -197.927 flat angles P-C4'-P energy: -135.710 tors. eta vs tors. theta energy: -227.117 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: 6 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -2869.007378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.007378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.007378 (E_RNA) where: Base-Base interactions energy: -1998.277 where: short stacking energy: -845.920 Base-Backbone interact. energy: -6.359 local terms energy: -864.370720 where: bonds (distance) C4'-P energy: -162.282 bonds (distance) P-C4' energy: -150.830 flat angles C4'-P-C4' energy: -185.954 flat angles P-C4'-P energy: -119.016 tors. eta vs tors. theta energy: -246.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -2719.569648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.569648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.569648 (E_RNA) where: Base-Base interactions energy: -1851.738 where: short stacking energy: -811.218 Base-Backbone interact. energy: -3.396 local terms energy: -864.435956 where: bonds (distance) C4'-P energy: -144.473 bonds (distance) P-C4' energy: -158.344 flat angles C4'-P-C4' energy: -188.018 flat angles P-C4'-P energy: -133.823 tors. eta vs tors. theta energy: -239.777 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: 4, replica: 7 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -2659.408231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.408231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.408231 (E_RNA) where: Base-Base interactions energy: -1840.605 where: short stacking energy: -804.129 Base-Backbone interact. energy: 0.554 local terms energy: -819.357023 where: bonds (distance) C4'-P energy: -140.879 bonds (distance) P-C4' energy: -142.776 flat angles C4'-P-C4' energy: -182.986 flat angles P-C4'-P energy: -113.711 tors. eta vs tors. theta energy: -239.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -2485.009964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.009964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.009964 (E_RNA) where: Base-Base interactions energy: -1711.496 where: short stacking energy: -750.416 Base-Backbone interact. energy: 5.096 local terms energy: -778.610131 where: bonds (distance) C4'-P energy: -155.543 bonds (distance) P-C4' energy: -146.753 flat angles C4'-P-C4' energy: -168.406 flat angles P-C4'-P energy: -116.838 tors. eta vs tors. theta energy: -191.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -2368.242219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.242219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.242219 (E_RNA) where: Base-Base interactions energy: -1652.782 where: short stacking energy: -711.910 Base-Backbone interact. energy: 1.335 local terms energy: -716.795284 where: bonds (distance) C4'-P energy: -133.557 bonds (distance) P-C4' energy: -134.653 flat angles C4'-P-C4' energy: -157.561 flat angles P-C4'-P energy: -88.973 tors. eta vs tors. theta energy: -202.052 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: 8 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -2032.975407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.975407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.975407 (E_RNA) where: Base-Base interactions energy: -1376.620 where: short stacking energy: -623.064 Base-Backbone interact. energy: -3.000 local terms energy: -653.355900 where: bonds (distance) C4'-P energy: -154.293 bonds (distance) P-C4' energy: -121.284 flat angles C4'-P-C4' energy: -143.123 flat angles P-C4'-P energy: -64.846 tors. eta vs tors. theta energy: -169.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1742.691669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.691669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.691669 (E_RNA) where: Base-Base interactions energy: -1160.016 where: short stacking energy: -487.716 Base-Backbone interact. energy: -0.710 local terms energy: -581.966406 where: bonds (distance) C4'-P energy: -122.926 bonds (distance) P-C4' energy: -130.422 flat angles C4'-P-C4' energy: -128.636 flat angles P-C4'-P energy: -75.669 tors. eta vs tors. theta energy: -124.314 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: 1 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -1451.828615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.828615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.828615 (E_RNA) where: Base-Base interactions energy: -910.270 where: short stacking energy: -424.695 Base-Backbone interact. energy: -3.910 local terms energy: -537.648972 where: bonds (distance) C4'-P energy: -130.130 bonds (distance) P-C4' energy: -119.919 flat angles C4'-P-C4' energy: -129.035 flat angles P-C4'-P energy: -87.212 tors. eta vs tors. theta energy: -71.353 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: 3 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -950.987909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.987909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.987909 (E_RNA) where: Base-Base interactions energy: -509.600 where: short stacking energy: -288.975 Base-Backbone interact. energy: 6.937 local terms energy: -448.324857 where: bonds (distance) C4'-P energy: -125.613 bonds (distance) P-C4' energy: -135.945 flat angles C4'-P-C4' energy: -117.427 flat angles P-C4'-P energy: -73.733 tors. eta vs tors. theta energy: 4.394 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: 10 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -2933.597714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.597714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.597714 (E_RNA) where: Base-Base interactions energy: -2064.338 where: short stacking energy: -851.141 Base-Backbone interact. energy: -4.678 local terms energy: -864.582156 where: bonds (distance) C4'-P energy: -151.844 bonds (distance) P-C4' energy: -161.600 flat angles C4'-P-C4' energy: -182.605 flat angles P-C4'-P energy: -140.983 tors. eta vs tors. theta energy: -227.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -2882.838717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.838717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.838717 (E_RNA) where: Base-Base interactions energy: -1998.396 where: short stacking energy: -843.589 Base-Backbone interact. energy: -1.942 local terms energy: -882.500798 where: bonds (distance) C4'-P energy: -159.146 bonds (distance) P-C4' energy: -172.166 flat angles C4'-P-C4' energy: -179.027 flat angles P-C4'-P energy: -120.039 tors. eta vs tors. theta energy: -252.123 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: 4 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -2723.989527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.989527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.989527 (E_RNA) where: Base-Base interactions energy: -1844.723 where: short stacking energy: -814.222 Base-Backbone interact. energy: -4.178 local terms energy: -875.088817 where: bonds (distance) C4'-P energy: -157.150 bonds (distance) P-C4' energy: -162.149 flat angles C4'-P-C4' energy: -192.650 flat angles P-C4'-P energy: -125.066 tors. eta vs tors. theta energy: -238.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -2649.835543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.835543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.835543 (E_RNA) where: Base-Base interactions energy: -1816.735 where: short stacking energy: -805.795 Base-Backbone interact. energy: -2.030 local terms energy: -831.071162 where: bonds (distance) C4'-P energy: -146.381 bonds (distance) P-C4' energy: -162.687 flat angles C4'-P-C4' energy: -173.544 flat angles P-C4'-P energy: -116.209 tors. eta vs tors. theta energy: -232.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -2461.588908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.588908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.588908 (E_RNA) where: Base-Base interactions energy: -1699.309 where: short stacking energy: -753.945 Base-Backbone interact. energy: -2.011 local terms energy: -760.269416 where: bonds (distance) C4'-P energy: -135.515 bonds (distance) P-C4' energy: -154.308 flat angles C4'-P-C4' energy: -169.819 flat angles P-C4'-P energy: -98.509 tors. eta vs tors. theta energy: -202.118 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: 6, replica: 5 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -2316.456571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.456571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.456571 (E_RNA) where: Base-Base interactions energy: -1577.215 where: short stacking energy: -672.224 Base-Backbone interact. energy: 4.842 local terms energy: -744.083571 where: bonds (distance) C4'-P energy: -143.821 bonds (distance) P-C4' energy: -147.152 flat angles C4'-P-C4' energy: -163.884 flat angles P-C4'-P energy: -114.722 tors. eta vs tors. theta energy: -174.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -2083.016268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.016268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.016268 (E_RNA) where: Base-Base interactions energy: -1422.104 where: short stacking energy: -620.056 Base-Backbone interact. energy: -4.838 local terms energy: -656.074074 where: bonds (distance) C4'-P energy: -90.881 bonds (distance) P-C4' energy: -140.326 flat angles C4'-P-C4' energy: -149.111 flat angles P-C4'-P energy: -99.828 tors. eta vs tors. theta energy: -175.928 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: 2 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1727.593537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.593537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.593537 (E_RNA) where: Base-Base interactions energy: -1132.526 where: short stacking energy: -480.611 Base-Backbone interact. energy: -0.376 local terms energy: -594.691484 where: bonds (distance) C4'-P energy: -128.527 bonds (distance) P-C4' energy: -144.943 flat angles C4'-P-C4' energy: -138.992 flat angles P-C4'-P energy: -82.978 tors. eta vs tors. theta energy: -99.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -1427.227514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.227514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.227514 (E_RNA) where: Base-Base interactions energy: -889.350 where: short stacking energy: -396.940 Base-Backbone interact. energy: -3.759 local terms energy: -534.118990 where: bonds (distance) C4'-P energy: -126.659 bonds (distance) P-C4' energy: -139.177 flat angles C4'-P-C4' energy: -143.186 flat angles P-C4'-P energy: -78.293 tors. eta vs tors. theta energy: -46.804 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: 3 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -902.584823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.584823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.584823 (E_RNA) where: Base-Base interactions energy: -485.076 where: short stacking energy: -266.264 Base-Backbone interact. energy: 7.914 local terms energy: -425.422486 where: bonds (distance) C4'-P energy: -120.103 bonds (distance) P-C4' energy: -142.784 flat angles C4'-P-C4' energy: -98.979 flat angles P-C4'-P energy: -67.746 tors. eta vs tors. theta energy: 4.190 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: 1, replica: 10 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -2918.592372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.592372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.592372 (E_RNA) where: Base-Base interactions energy: -2049.082 where: short stacking energy: -861.403 Base-Backbone interact. energy: 0.991 local terms energy: -870.501673 where: bonds (distance) C4'-P energy: -158.742 bonds (distance) P-C4' energy: -162.519 flat angles C4'-P-C4' energy: -187.199 flat angles P-C4'-P energy: -133.735 tors. eta vs tors. theta energy: -228.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -2884.354307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.354307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.354307 (E_RNA) where: Base-Base interactions energy: -2050.578 where: short stacking energy: -869.185 Base-Backbone interact. energy: -5.028 local terms energy: -828.748461 where: bonds (distance) C4'-P energy: -131.049 bonds (distance) P-C4' energy: -146.060 flat angles C4'-P-C4' energy: -180.417 flat angles P-C4'-P energy: -117.875 tors. eta vs tors. theta energy: -253.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -2709.972737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.972737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.972737 (E_RNA) where: Base-Base interactions energy: -1877.876 where: short stacking energy: -802.606 Base-Backbone interact. energy: -4.568 local terms energy: -827.528355 where: bonds (distance) C4'-P energy: -148.484 bonds (distance) P-C4' energy: -148.238 flat angles C4'-P-C4' energy: -178.360 flat angles P-C4'-P energy: -113.356 tors. eta vs tors. theta energy: -239.090 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: 7 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -2651.607320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.607320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.607320 (E_RNA) where: Base-Base interactions energy: -1833.804 where: short stacking energy: -813.339 Base-Backbone interact. energy: -1.021 local terms energy: -816.782617 where: bonds (distance) C4'-P energy: -130.550 bonds (distance) P-C4' energy: -148.023 flat angles C4'-P-C4' energy: -180.338 flat angles P-C4'-P energy: -116.064 tors. eta vs tors. theta energy: -241.807 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: 9 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -2504.124173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.124173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.124173 (E_RNA) where: Base-Base interactions energy: -1732.277 where: short stacking energy: -752.914 Base-Backbone interact. energy: 0.963 local terms energy: -772.810571 where: bonds (distance) C4'-P energy: -159.435 bonds (distance) P-C4' energy: -126.524 flat angles C4'-P-C4' energy: -162.293 flat angles P-C4'-P energy: -118.001 tors. eta vs tors. theta energy: -206.558 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: 6, replica: 5 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -2281.889016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.889016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.889016 (E_RNA) where: Base-Base interactions energy: -1572.988 where: short stacking energy: -666.600 Base-Backbone interact. energy: -1.959 local terms energy: -706.941977 where: bonds (distance) C4'-P energy: -134.732 bonds (distance) P-C4' energy: -138.142 flat angles C4'-P-C4' energy: -156.670 flat angles P-C4'-P energy: -99.746 tors. eta vs tors. theta energy: -177.652 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: 7, replica: 8 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -2012.630306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.630306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.630306 (E_RNA) where: Base-Base interactions energy: -1336.890 where: short stacking energy: -595.115 Base-Backbone interact. energy: -3.107 local terms energy: -672.632322 where: bonds (distance) C4'-P energy: -136.378 bonds (distance) P-C4' energy: -133.175 flat angles C4'-P-C4' energy: -155.044 flat angles P-C4'-P energy: -93.615 tors. eta vs tors. theta energy: -154.421 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: 2 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1593.432368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.432368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.432368 (E_RNA) where: Base-Base interactions energy: -1030.307 where: short stacking energy: -485.270 Base-Backbone interact. energy: -3.195 local terms energy: -559.930674 where: bonds (distance) C4'-P energy: -119.179 bonds (distance) P-C4' energy: -128.152 flat angles C4'-P-C4' energy: -137.956 flat angles P-C4'-P energy: -84.177 tors. eta vs tors. theta energy: -90.468 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: 9, replica: 1 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -1536.301799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.301799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.301799 (E_RNA) where: Base-Base interactions energy: -964.216 where: short stacking energy: -467.655 Base-Backbone interact. energy: -2.809 local terms energy: -569.276793 where: bonds (distance) C4'-P energy: -132.220 bonds (distance) P-C4' energy: -126.790 flat angles C4'-P-C4' energy: -131.722 flat angles P-C4'-P energy: -85.232 tors. eta vs tors. theta energy: -93.313 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: 10, replica: 3 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -956.782912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.782912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.782912 (E_RNA) where: Base-Base interactions energy: -476.106 where: short stacking energy: -276.800 Base-Backbone interact. energy: 6.675 local terms energy: -487.352248 where: bonds (distance) C4'-P energy: -149.412 bonds (distance) P-C4' energy: -144.022 flat angles C4'-P-C4' energy: -115.821 flat angles P-C4'-P energy: -64.692 tors. eta vs tors. theta energy: -13.405 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: 1, replica: 10 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -2919.139544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.139544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.139544 (E_RNA) where: Base-Base interactions energy: -2054.668 where: short stacking energy: -858.280 Base-Backbone interact. energy: -1.764 local terms energy: -862.707489 where: bonds (distance) C4'-P energy: -156.610 bonds (distance) P-C4' energy: -163.253 flat angles C4'-P-C4' energy: -189.664 flat angles P-C4'-P energy: -111.430 tors. eta vs tors. theta energy: -241.751 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: 6 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -2868.596715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.596715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.596715 (E_RNA) where: Base-Base interactions energy: -2007.062 where: short stacking energy: -830.615 Base-Backbone interact. energy: -2.875 local terms energy: -858.659259 where: bonds (distance) C4'-P energy: -161.378 bonds (distance) P-C4' energy: -168.763 flat angles C4'-P-C4' energy: -171.802 flat angles P-C4'-P energy: -121.059 tors. eta vs tors. theta energy: -235.657 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: 3, replica: 4 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -2732.031349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.031349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.031349 (E_RNA) where: Base-Base interactions energy: -1891.254 where: short stacking energy: -829.832 Base-Backbone interact. energy: -5.107 local terms energy: -835.670145 where: bonds (distance) C4'-P energy: -140.585 bonds (distance) P-C4' energy: -143.561 flat angles C4'-P-C4' energy: -186.063 flat angles P-C4'-P energy: -124.075 tors. eta vs tors. theta energy: -241.387 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: 7 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -2642.486920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.486920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.486920 (E_RNA) where: Base-Base interactions energy: -1809.590 where: short stacking energy: -767.204 Base-Backbone interact. energy: -1.007 local terms energy: -831.890320 where: bonds (distance) C4'-P energy: -152.334 bonds (distance) P-C4' energy: -163.513 flat angles C4'-P-C4' energy: -177.616 flat angles P-C4'-P energy: -103.438 tors. eta vs tors. theta energy: -234.990 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: 9 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -2532.848739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.848739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.848739 (E_RNA) where: Base-Base interactions energy: -1759.036 where: short stacking energy: -762.458 Base-Backbone interact. energy: -4.323 local terms energy: -769.488947 where: bonds (distance) C4'-P energy: -132.351 bonds (distance) P-C4' energy: -148.280 flat angles C4'-P-C4' energy: -171.760 flat angles P-C4'-P energy: -110.434 tors. eta vs tors. theta energy: -206.662 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: 6, replica: 5 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -2279.914889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.914889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.914889 (E_RNA) where: Base-Base interactions energy: -1542.474 where: short stacking energy: -704.531 Base-Backbone interact. energy: 0.123 local terms energy: -737.563282 where: bonds (distance) C4'-P energy: -136.355 bonds (distance) P-C4' energy: -163.868 flat angles C4'-P-C4' energy: -165.636 flat angles P-C4'-P energy: -90.498 tors. eta vs tors. theta energy: -181.206 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: 8 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -2158.005344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.005344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.005344 (E_RNA) where: Base-Base interactions energy: -1461.853 where: short stacking energy: -637.027 Base-Backbone interact. energy: 0.490 local terms energy: -696.643081 where: bonds (distance) C4'-P energy: -142.361 bonds (distance) P-C4' energy: -131.030 flat angles C4'-P-C4' energy: -169.182 flat angles P-C4'-P energy: -96.454 tors. eta vs tors. theta energy: -157.615 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: 2 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1719.518212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.518212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.518212 (E_RNA) where: Base-Base interactions energy: -1107.818 where: short stacking energy: -480.088 Base-Backbone interact. energy: 2.983 local terms energy: -614.683175 where: bonds (distance) C4'-P energy: -141.195 bonds (distance) P-C4' energy: -126.810 flat angles C4'-P-C4' energy: -145.858 flat angles P-C4'-P energy: -89.797 tors. eta vs tors. theta energy: -111.023 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: 1 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -1418.191629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.191629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.191629 (E_RNA) where: Base-Base interactions energy: -936.335 where: short stacking energy: -411.963 Base-Backbone interact. energy: -5.334 local terms energy: -476.522196 where: bonds (distance) C4'-P energy: -109.089 bonds (distance) P-C4' energy: -127.731 flat angles C4'-P-C4' energy: -105.449 flat angles P-C4'-P energy: -74.486 tors. eta vs tors. theta energy: -59.768 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: 3 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -945.082709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.082709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.082709 (E_RNA) where: Base-Base interactions energy: -510.674 where: short stacking energy: -269.721 Base-Backbone interact. energy: -4.972 local terms energy: -429.436818 where: bonds (distance) C4'-P energy: -109.248 bonds (distance) P-C4' energy: -111.778 flat angles C4'-P-C4' energy: -122.582 flat angles P-C4'-P energy: -81.529 tors. eta vs tors. theta energy: -4.299 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: 1, replica: 10 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -2948.498518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.498518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.498518 (E_RNA) where: Base-Base interactions energy: -2092.988 where: short stacking energy: -863.543 Base-Backbone interact. energy: -1.150 local terms energy: -854.360349 where: bonds (distance) C4'-P energy: -167.733 bonds (distance) P-C4' energy: -164.643 flat angles C4'-P-C4' energy: -168.233 flat angles P-C4'-P energy: -115.124 tors. eta vs tors. theta energy: -238.627 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: 6 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -2887.460984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.460984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.460984 (E_RNA) where: Base-Base interactions energy: -2017.398 where: short stacking energy: -830.679 Base-Backbone interact. energy: -4.136 local terms energy: -865.927680 where: bonds (distance) C4'-P energy: -156.895 bonds (distance) P-C4' energy: -168.326 flat angles C4'-P-C4' energy: -180.572 flat angles P-C4'-P energy: -110.934 tors. eta vs tors. theta energy: -249.201 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: 4 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -2737.836687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.836687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.836687 (E_RNA) where: Base-Base interactions energy: -1877.282 where: short stacking energy: -810.525 Base-Backbone interact. energy: 1.684 local terms energy: -862.239249 where: bonds (distance) C4'-P energy: -146.058 bonds (distance) P-C4' energy: -170.086 flat angles C4'-P-C4' energy: -182.994 flat angles P-C4'-P energy: -124.812 tors. eta vs tors. theta energy: -238.289 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: 4, replica: 7 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -2649.499525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.499525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.499525 (E_RNA) where: Base-Base interactions energy: -1818.678 where: short stacking energy: -787.160 Base-Backbone interact. energy: 0.024 local terms energy: -830.845338 where: bonds (distance) C4'-P energy: -160.432 bonds (distance) P-C4' energy: -151.714 flat angles C4'-P-C4' energy: -166.571 flat angles P-C4'-P energy: -122.512 tors. eta vs tors. theta energy: -229.616 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: 9 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -2446.083639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.083639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.083639 (E_RNA) where: Base-Base interactions energy: -1701.930 where: short stacking energy: -718.533 Base-Backbone interact. energy: -3.118 local terms energy: -741.035839 where: bonds (distance) C4'-P energy: -139.980 bonds (distance) P-C4' energy: -157.262 flat angles C4'-P-C4' energy: -149.986 flat angles P-C4'-P energy: -105.136 tors. eta vs tors. theta energy: -188.672 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: 5 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -2317.790468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.790468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.790468 (E_RNA) where: Base-Base interactions energy: -1559.650 where: short stacking energy: -676.855 Base-Backbone interact. energy: -3.449 local terms energy: -754.691865 where: bonds (distance) C4'-P energy: -148.132 bonds (distance) P-C4' energy: -146.617 flat angles C4'-P-C4' energy: -170.230 flat angles P-C4'-P energy: -88.958 tors. eta vs tors. theta energy: -200.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -2078.232677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.232677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.232677 (E_RNA) where: Base-Base interactions energy: -1412.349 where: short stacking energy: -604.139 Base-Backbone interact. energy: -1.168 local terms energy: -664.714875 where: bonds (distance) C4'-P energy: -136.347 bonds (distance) P-C4' energy: -132.080 flat angles C4'-P-C4' energy: -148.113 flat angles P-C4'-P energy: -95.552 tors. eta vs tors. theta energy: -152.623 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: 2 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1677.990946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.990946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.990946 (E_RNA) where: Base-Base interactions energy: -1104.248 where: short stacking energy: -490.746 Base-Backbone interact. energy: -2.918 local terms energy: -570.824511 where: bonds (distance) C4'-P energy: -108.988 bonds (distance) P-C4' energy: -143.759 flat angles C4'-P-C4' energy: -136.588 flat angles P-C4'-P energy: -77.305 tors. eta vs tors. theta energy: -104.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -1394.822639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.822639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.822639 (E_RNA) where: Base-Base interactions energy: -877.895 where: short stacking energy: -419.246 Base-Backbone interact. energy: -0.784 local terms energy: -516.144069 where: bonds (distance) C4'-P energy: -128.368 bonds (distance) P-C4' energy: -137.714 flat angles C4'-P-C4' energy: -136.312 flat angles P-C4'-P energy: -63.907 tors. eta vs tors. theta energy: -49.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -943.086720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.086720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.086720 (E_RNA) where: Base-Base interactions energy: -496.888 where: short stacking energy: -273.235 Base-Backbone interact. energy: 2.987 local terms energy: -449.186250 where: bonds (distance) C4'-P energy: -106.356 bonds (distance) P-C4' energy: -138.950 flat angles C4'-P-C4' energy: -125.089 flat angles P-C4'-P energy: -63.292 tors. eta vs tors. theta energy: -15.499 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: 1, replica: 6 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -2934.850521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.850521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.850521 (E_RNA) where: Base-Base interactions energy: -2043.804 where: short stacking energy: -853.773 Base-Backbone interact. energy: -2.419 local terms energy: -888.627226 where: bonds (distance) C4'-P energy: -172.194 bonds (distance) P-C4' energy: -165.120 flat angles C4'-P-C4' energy: -182.659 flat angles P-C4'-P energy: -116.641 tors. eta vs tors. theta energy: -252.014 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: 2, replica: 10 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -2892.916950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.916950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.916950 (E_RNA) where: Base-Base interactions energy: -2046.290 where: short stacking energy: -841.556 Base-Backbone interact. energy: -3.101 local terms energy: -843.526409 where: bonds (distance) C4'-P energy: -149.542 bonds (distance) P-C4' energy: -163.242 flat angles C4'-P-C4' energy: -178.807 flat angles P-C4'-P energy: -116.098 tors. eta vs tors. theta energy: -235.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -2754.522608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.522608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.522608 (E_RNA) where: Base-Base interactions energy: -1897.275 where: short stacking energy: -849.432 Base-Backbone interact. energy: 1.139 local terms energy: -858.386878 where: bonds (distance) C4'-P energy: -149.353 bonds (distance) P-C4' energy: -168.546 flat angles C4'-P-C4' energy: -186.584 flat angles P-C4'-P energy: -107.261 tors. eta vs tors. theta energy: -246.643 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: 4, replica: 4 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -2648.320231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.320231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.320231 (E_RNA) where: Base-Base interactions energy: -1829.234 where: short stacking energy: -811.346 Base-Backbone interact. energy: -1.235 local terms energy: -817.851307 where: bonds (distance) C4'-P energy: -142.124 bonds (distance) P-C4' energy: -158.417 flat angles C4'-P-C4' energy: -180.056 flat angles P-C4'-P energy: -106.035 tors. eta vs tors. theta energy: -231.219 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: 9 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -2425.956661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.956661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.956661 (E_RNA) where: Base-Base interactions energy: -1704.817 where: short stacking energy: -723.139 Base-Backbone interact. energy: 0.741 local terms energy: -721.880708 where: bonds (distance) C4'-P energy: -158.659 bonds (distance) P-C4' energy: -129.202 flat angles C4'-P-C4' energy: -153.749 flat angles P-C4'-P energy: -104.609 tors. eta vs tors. theta energy: -175.661 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: 5 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -2305.567045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.567045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.567045 (E_RNA) where: Base-Base interactions energy: -1572.625 where: short stacking energy: -672.642 Base-Backbone interact. energy: -0.443 local terms energy: -732.498382 where: bonds (distance) C4'-P energy: -149.458 bonds (distance) P-C4' energy: -138.473 flat angles C4'-P-C4' energy: -159.621 flat angles P-C4'-P energy: -99.227 tors. eta vs tors. theta energy: -185.720 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: 7, replica: 8 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -2081.789269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.789269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.789269 (E_RNA) where: Base-Base interactions energy: -1438.881 where: short stacking energy: -596.238 Base-Backbone interact. energy: -0.728 local terms energy: -642.179688 where: bonds (distance) C4'-P energy: -136.703 bonds (distance) P-C4' energy: -143.088 flat angles C4'-P-C4' energy: -149.830 flat angles P-C4'-P energy: -78.000 tors. eta vs tors. theta energy: -134.558 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: 2 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1740.980778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.980778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.980778 (E_RNA) where: Base-Base interactions energy: -1157.814 where: short stacking energy: -507.498 Base-Backbone interact. energy: 1.070 local terms energy: -584.236058 where: bonds (distance) C4'-P energy: -102.525 bonds (distance) P-C4' energy: -145.243 flat angles C4'-P-C4' energy: -158.394 flat angles P-C4'-P energy: -81.976 tors. eta vs tors. theta energy: -96.098 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: 9, replica: 1 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -1395.329332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.329332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.329332 (E_RNA) where: Base-Base interactions energy: -867.510 where: short stacking energy: -405.045 Base-Backbone interact. energy: -0.583 local terms energy: -527.236223 where: bonds (distance) C4'-P energy: -137.885 bonds (distance) P-C4' energy: -116.249 flat angles C4'-P-C4' energy: -134.532 flat angles P-C4'-P energy: -79.398 tors. eta vs tors. theta energy: -59.171 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: 3 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -926.713103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.713103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.713103 (E_RNA) where: Base-Base interactions energy: -493.037 where: short stacking energy: -286.314 Base-Backbone interact. energy: 2.319 local terms energy: -435.994553 where: bonds (distance) C4'-P energy: -110.382 bonds (distance) P-C4' energy: -132.122 flat angles C4'-P-C4' energy: -126.696 flat angles P-C4'-P energy: -65.905 tors. eta vs tors. theta energy: -0.890 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: 6 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -2918.464798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.464798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.464798 (E_RNA) where: Base-Base interactions energy: -2039.211 where: short stacking energy: -849.865 Base-Backbone interact. energy: -2.624 local terms energy: -876.629898 where: bonds (distance) C4'-P energy: -151.776 bonds (distance) P-C4' energy: -163.981 flat angles C4'-P-C4' energy: -188.558 flat angles P-C4'-P energy: -123.448 tors. eta vs tors. theta energy: -248.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -2876.195388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.195388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.195388 (E_RNA) where: Base-Base interactions energy: -2013.196 where: short stacking energy: -835.784 Base-Backbone interact. energy: -4.084 local terms energy: -858.915552 where: bonds (distance) C4'-P energy: -152.475 bonds (distance) P-C4' energy: -163.645 flat angles C4'-P-C4' energy: -192.539 flat angles P-C4'-P energy: -121.641 tors. eta vs tors. theta energy: -228.615 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: 7 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -2734.408699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.408699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.408699 (E_RNA) where: Base-Base interactions energy: -1902.893 where: short stacking energy: -857.891 Base-Backbone interact. energy: -1.507 local terms energy: -830.008326 where: bonds (distance) C4'-P energy: -149.667 bonds (distance) P-C4' energy: -147.590 flat angles C4'-P-C4' energy: -173.745 flat angles P-C4'-P energy: -117.128 tors. eta vs tors. theta energy: -241.879 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: 4 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -2601.226433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.226433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.226433 (E_RNA) where: Base-Base interactions energy: -1758.928 where: short stacking energy: -775.013 Base-Backbone interact. energy: -0.616 local terms energy: -841.682683 where: bonds (distance) C4'-P energy: -161.232 bonds (distance) P-C4' energy: -162.336 flat angles C4'-P-C4' energy: -179.602 flat angles P-C4'-P energy: -112.594 tors. eta vs tors. theta energy: -225.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -2444.337455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.337455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.337455 (E_RNA) where: Base-Base interactions energy: -1682.670 where: short stacking energy: -728.862 Base-Backbone interact. energy: -1.659 local terms energy: -760.008440 where: bonds (distance) C4'-P energy: -153.024 bonds (distance) P-C4' energy: -139.205 flat angles C4'-P-C4' energy: -162.450 flat angles P-C4'-P energy: -119.694 tors. eta vs tors. theta energy: -185.635 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: 393 Temperature: 1.150000 Total energy: -2333.429127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.429127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.429127 (E_RNA) where: Base-Base interactions energy: -1590.827 where: short stacking energy: -709.592 Base-Backbone interact. energy: 0.688 local terms energy: -743.290730 where: bonds (distance) C4'-P energy: -139.856 bonds (distance) P-C4' energy: -149.602 flat angles C4'-P-C4' energy: -169.670 flat angles P-C4'-P energy: -96.269 tors. eta vs tors. theta energy: -187.893 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: 8 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -2102.539193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.539193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.539193 (E_RNA) where: Base-Base interactions energy: -1455.461 where: short stacking energy: -629.382 Base-Backbone interact. energy: -0.824 local terms energy: -646.253930 where: bonds (distance) C4'-P energy: -114.765 bonds (distance) P-C4' energy: -126.761 flat angles C4'-P-C4' energy: -144.851 flat angles P-C4'-P energy: -77.657 tors. eta vs tors. theta energy: -182.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1740.631198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.631198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.631198 (E_RNA) where: Base-Base interactions energy: -1142.580 where: short stacking energy: -487.064 Base-Backbone interact. energy: -1.289 local terms energy: -596.762230 where: bonds (distance) C4'-P energy: -142.806 bonds (distance) P-C4' energy: -144.908 flat angles C4'-P-C4' energy: -127.344 flat angles P-C4'-P energy: -90.165 tors. eta vs tors. theta energy: -91.539 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: 9, replica: 1 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -1353.269764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.269764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.269764 (E_RNA) where: Base-Base interactions energy: -848.191 where: short stacking energy: -418.829 Base-Backbone interact. energy: 1.714 local terms energy: -506.793477 where: bonds (distance) C4'-P energy: -110.692 bonds (distance) P-C4' energy: -141.531 flat angles C4'-P-C4' energy: -114.028 flat angles P-C4'-P energy: -89.593 tors. eta vs tors. theta energy: -50.951 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: 3 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -920.684589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.684589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.684589 (E_RNA) where: Base-Base interactions energy: -499.897 where: short stacking energy: -275.297 Base-Backbone interact. energy: -1.070 local terms energy: -419.718134 where: bonds (distance) C4'-P energy: -138.924 bonds (distance) P-C4' energy: -112.290 flat angles C4'-P-C4' energy: -115.928 flat angles P-C4'-P energy: -41.379 tors. eta vs tors. theta energy: -11.197 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: 1, replica: 6 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -2935.431655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.431655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.431655 (E_RNA) where: Base-Base interactions energy: -2049.968 where: short stacking energy: -848.128 Base-Backbone interact. energy: -3.153 local terms energy: -882.311407 where: bonds (distance) C4'-P energy: -156.457 bonds (distance) P-C4' energy: -171.432 flat angles C4'-P-C4' energy: -176.190 flat angles P-C4'-P energy: -131.746 tors. eta vs tors. theta energy: -246.486 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: 10 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -2870.713232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.713232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.713232 (E_RNA) where: Base-Base interactions energy: -2041.457 where: short stacking energy: -848.217 Base-Backbone interact. energy: -1.090 local terms energy: -828.165952 where: bonds (distance) C4'-P energy: -140.298 bonds (distance) P-C4' energy: -145.231 flat angles C4'-P-C4' energy: -181.553 flat angles P-C4'-P energy: -126.500 tors. eta vs tors. theta energy: -234.584 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: 7 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -2755.992321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.992321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.992321 (E_RNA) where: Base-Base interactions energy: -1923.149 where: short stacking energy: -838.951 Base-Backbone interact. energy: -0.807 local terms energy: -832.036253 where: bonds (distance) C4'-P energy: -162.228 bonds (distance) P-C4' energy: -124.749 flat angles C4'-P-C4' energy: -182.016 flat angles P-C4'-P energy: -118.055 tors. eta vs tors. theta energy: -244.989 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: 4, replica: 4 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -2652.771990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.771990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.771990 (E_RNA) where: Base-Base interactions energy: -1836.870 where: short stacking energy: -798.448 Base-Backbone interact. energy: -3.599 local terms energy: -812.302566 where: bonds (distance) C4'-P energy: -150.964 bonds (distance) P-C4' energy: -138.387 flat angles C4'-P-C4' energy: -172.238 flat angles P-C4'-P energy: -120.854 tors. eta vs tors. theta energy: -229.858 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: 5 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -2423.806825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.806825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.806825 (E_RNA) where: Base-Base interactions energy: -1659.492 where: short stacking energy: -727.796 Base-Backbone interact. energy: -2.067 local terms energy: -762.247404 where: bonds (distance) C4'-P energy: -152.917 bonds (distance) P-C4' energy: -141.138 flat angles C4'-P-C4' energy: -173.486 flat angles P-C4'-P energy: -84.241 tors. eta vs tors. theta energy: -210.465 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: 394 Temperature: 1.150000 Total energy: -2412.062451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.062451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.062451 (E_RNA) where: Base-Base interactions energy: -1686.196 where: short stacking energy: -707.139 Base-Backbone interact. energy: -1.898 local terms energy: -723.967769 where: bonds (distance) C4'-P energy: -143.251 bonds (distance) P-C4' energy: -138.935 flat angles C4'-P-C4' energy: -157.999 flat angles P-C4'-P energy: -94.464 tors. eta vs tors. theta energy: -189.320 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: 8 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -2039.247853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.247853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.247853 (E_RNA) where: Base-Base interactions energy: -1359.375 where: short stacking energy: -604.253 Base-Backbone interact. energy: -1.995 local terms energy: -677.877938 where: bonds (distance) C4'-P energy: -138.071 bonds (distance) P-C4' energy: -133.033 flat angles C4'-P-C4' energy: -141.834 flat angles P-C4'-P energy: -94.876 tors. eta vs tors. theta energy: -170.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1750.900654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.900654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.900654 (E_RNA) where: Base-Base interactions energy: -1159.419 where: short stacking energy: -519.387 Base-Backbone interact. energy: -3.803 local terms energy: -587.678639 where: bonds (distance) C4'-P energy: -129.525 bonds (distance) P-C4' energy: -133.906 flat angles C4'-P-C4' energy: -152.926 flat angles P-C4'-P energy: -81.620 tors. eta vs tors. theta energy: -89.701 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: 1 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -1364.735277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.735277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.735277 (E_RNA) where: Base-Base interactions energy: -858.896 where: short stacking energy: -427.538 Base-Backbone interact. energy: -0.010 local terms energy: -505.828693 where: bonds (distance) C4'-P energy: -116.785 bonds (distance) P-C4' energy: -138.288 flat angles C4'-P-C4' energy: -147.801 flat angles P-C4'-P energy: -60.228 tors. eta vs tors. theta energy: -42.727 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: 3 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -920.425364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.425364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.425364 (E_RNA) where: Base-Base interactions energy: -490.224 where: short stacking energy: -275.914 Base-Backbone interact. energy: 5.973 local terms energy: -436.174583 where: bonds (distance) C4'-P energy: -109.193 bonds (distance) P-C4' energy: -117.109 flat angles C4'-P-C4' energy: -127.429 flat angles P-C4'-P energy: -79.467 tors. eta vs tors. theta energy: -2.977 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: 1, replica: 6 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -2959.606469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.606469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.606469 (E_RNA) where: Base-Base interactions energy: -2087.657 where: short stacking energy: -868.616 Base-Backbone interact. energy: -3.221 local terms energy: -868.728259 where: bonds (distance) C4'-P energy: -151.733 bonds (distance) P-C4' energy: -171.017 flat angles C4'-P-C4' energy: -171.116 flat angles P-C4'-P energy: -121.557 tors. eta vs tors. theta energy: -253.304 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: 10 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -2873.183818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.183818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.183818 (E_RNA) where: Base-Base interactions energy: -2024.638 where: short stacking energy: -834.433 Base-Backbone interact. energy: 2.917 local terms energy: -851.463363 where: bonds (distance) C4'-P energy: -150.101 bonds (distance) P-C4' energy: -173.941 flat angles C4'-P-C4' energy: -168.526 flat angles P-C4'-P energy: -128.988 tors. eta vs tors. theta energy: -229.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2784.832559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.832559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.832559 (E_RNA) where: Base-Base interactions energy: -1918.419 where: short stacking energy: -843.739 Base-Backbone interact. energy: -0.206 local terms energy: -866.207510 where: bonds (distance) C4'-P energy: -153.984 bonds (distance) P-C4' energy: -172.047 flat angles C4'-P-C4' energy: -179.107 flat angles P-C4'-P energy: -110.641 tors. eta vs tors. theta energy: -250.429 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: 4, replica: 4 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -2589.107324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.107324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.107324 (E_RNA) where: Base-Base interactions energy: -1780.272 where: short stacking energy: -779.287 Base-Backbone interact. energy: -2.452 local terms energy: -806.383005 where: bonds (distance) C4'-P energy: -159.627 bonds (distance) P-C4' energy: -156.531 flat angles C4'-P-C4' energy: -164.707 flat angles P-C4'-P energy: -100.256 tors. eta vs tors. theta energy: -225.262 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: 5 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -2467.534389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.534389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.534389 (E_RNA) where: Base-Base interactions energy: -1704.190 where: short stacking energy: -731.134 Base-Backbone interact. energy: -1.783 local terms energy: -761.561032 where: bonds (distance) C4'-P energy: -132.322 bonds (distance) P-C4' energy: -149.993 flat angles C4'-P-C4' energy: -170.529 flat angles P-C4'-P energy: -95.060 tors. eta vs tors. theta energy: -213.659 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: 9 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -2342.830401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.830401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.830401 (E_RNA) where: Base-Base interactions energy: -1613.333 where: short stacking energy: -670.695 Base-Backbone interact. energy: -3.504 local terms energy: -725.993127 where: bonds (distance) C4'-P energy: -137.316 bonds (distance) P-C4' energy: -148.531 flat angles C4'-P-C4' energy: -161.167 flat angles P-C4'-P energy: -105.905 tors. eta vs tors. theta energy: -173.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -2037.715032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.715032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.715032 (E_RNA) where: Base-Base interactions energy: -1395.199 where: short stacking energy: -608.633 Base-Backbone interact. energy: -1.860 local terms energy: -640.656830 where: bonds (distance) C4'-P energy: -97.610 bonds (distance) P-C4' energy: -157.459 flat angles C4'-P-C4' energy: -145.269 flat angles P-C4'-P energy: -89.576 tors. eta vs tors. theta energy: -150.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -1717.740456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.740456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.740456 (E_RNA) where: Base-Base interactions energy: -1135.752 where: short stacking energy: -510.382 Base-Backbone interact. energy: 3.205 local terms energy: -585.193759 where: bonds (distance) C4'-P energy: -141.759 bonds (distance) P-C4' energy: -141.047 flat angles C4'-P-C4' energy: -138.093 flat angles P-C4'-P energy: -81.963 tors. eta vs tors. theta energy: -82.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -1407.872871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.872871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.872871 (E_RNA) where: Base-Base interactions energy: -889.638 where: short stacking energy: -402.480 Base-Backbone interact. energy: -2.002 local terms energy: -516.233176 where: bonds (distance) C4'-P energy: -102.547 bonds (distance) P-C4' energy: -124.577 flat angles C4'-P-C4' energy: -139.010 flat angles P-C4'-P energy: -91.717 tors. eta vs tors. theta energy: -58.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -924.264025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.264025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.264025 (E_RNA) where: Base-Base interactions energy: -436.055 where: short stacking energy: -254.751 Base-Backbone interact. energy: -3.753 local terms energy: -484.456791 where: bonds (distance) C4'-P energy: -121.444 bonds (distance) P-C4' energy: -143.820 flat angles C4'-P-C4' energy: -124.908 flat angles P-C4'-P energy: -70.903 tors. eta vs tors. theta energy: -23.382 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: 1, replica: 6 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -2968.972608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.972608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.972608 (E_RNA) where: Base-Base interactions energy: -2105.142 where: short stacking energy: -865.361 Base-Backbone interact. energy: 1.736 local terms energy: -865.566627 where: bonds (distance) C4'-P energy: -168.937 bonds (distance) P-C4' energy: -143.237 flat angles C4'-P-C4' energy: -179.313 flat angles P-C4'-P energy: -117.515 tors. eta vs tors. theta energy: -256.565 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: 2, replica: 10 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -2851.168307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.168307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.168307 (E_RNA) where: Base-Base interactions energy: -1996.199 where: short stacking energy: -805.551 Base-Backbone interact. energy: 0.406 local terms energy: -855.375377 where: bonds (distance) C4'-P energy: -157.185 bonds (distance) P-C4' energy: -166.649 flat angles C4'-P-C4' energy: -179.733 flat angles P-C4'-P energy: -115.605 tors. eta vs tors. theta energy: -236.204 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: 7 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -2774.356553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.356553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.356553 (E_RNA) where: Base-Base interactions energy: -1898.435 where: short stacking energy: -815.247 Base-Backbone interact. energy: -3.256 local terms energy: -872.665576 where: bonds (distance) C4'-P energy: -164.521 bonds (distance) P-C4' energy: -155.684 flat angles C4'-P-C4' energy: -174.222 flat angles P-C4'-P energy: -130.064 tors. eta vs tors. theta energy: -248.174 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: 4, replica: 4 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -2623.645133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.645133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.645133 (E_RNA) where: Base-Base interactions energy: -1836.783 where: short stacking energy: -799.086 Base-Backbone interact. energy: -1.426 local terms energy: -785.435935 where: bonds (distance) C4'-P energy: -126.830 bonds (distance) P-C4' energy: -152.845 flat angles C4'-P-C4' energy: -176.436 flat angles P-C4'-P energy: -100.543 tors. eta vs tors. theta energy: -228.782 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: 5, replica: 5 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -2483.441964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.441964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.441964 (E_RNA) where: Base-Base interactions energy: -1734.502 where: short stacking energy: -732.342 Base-Backbone interact. energy: -1.941 local terms energy: -746.999213 where: bonds (distance) C4'-P energy: -136.765 bonds (distance) P-C4' energy: -145.667 flat angles C4'-P-C4' energy: -161.990 flat angles P-C4'-P energy: -101.037 tors. eta vs tors. theta energy: -201.541 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: 396 Temperature: 1.150000 Total energy: -2335.044341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.044341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.044341 (E_RNA) where: Base-Base interactions energy: -1631.502 where: short stacking energy: -698.118 Base-Backbone interact. energy: -0.363 local terms energy: -703.180273 where: bonds (distance) C4'-P energy: -123.654 bonds (distance) P-C4' energy: -124.314 flat angles C4'-P-C4' energy: -164.510 flat angles P-C4'-P energy: -102.937 tors. eta vs tors. theta energy: -187.766 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: 8 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -2023.741336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.741336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.741336 (E_RNA) where: Base-Base interactions energy: -1362.443 where: short stacking energy: -598.447 Base-Backbone interact. energy: -3.923 local terms energy: -657.375903 where: bonds (distance) C4'-P energy: -140.719 bonds (distance) P-C4' energy: -140.171 flat angles C4'-P-C4' energy: -142.205 flat angles P-C4'-P energy: -87.465 tors. eta vs tors. theta energy: -146.815 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: 2 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1769.834565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.834565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.834565 (E_RNA) where: Base-Base interactions energy: -1176.242 where: short stacking energy: -517.389 Base-Backbone interact. energy: 0.223 local terms energy: -593.815526 where: bonds (distance) C4'-P energy: -121.187 bonds (distance) P-C4' energy: -141.440 flat angles C4'-P-C4' energy: -152.113 flat angles P-C4'-P energy: -86.687 tors. eta vs tors. theta energy: -92.389 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: 1 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -1368.381292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.381292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.381292 (E_RNA) where: Base-Base interactions energy: -887.472 where: short stacking energy: -404.828 Base-Backbone interact. energy: 3.442 local terms energy: -484.350921 where: bonds (distance) C4'-P energy: -131.101 bonds (distance) P-C4' energy: -128.072 flat angles C4'-P-C4' energy: -113.229 flat angles P-C4'-P energy: -76.153 tors. eta vs tors. theta energy: -35.797 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: 3 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -914.055721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.055721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.055721 (E_RNA) where: Base-Base interactions energy: -462.381 where: short stacking energy: -277.632 Base-Backbone interact. energy: 3.047 local terms energy: -454.721761 where: bonds (distance) C4'-P energy: -124.071 bonds (distance) P-C4' energy: -146.543 flat angles C4'-P-C4' energy: -101.256 flat angles P-C4'-P energy: -75.343 tors. eta vs tors. theta energy: -7.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -2935.013811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.013811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.013811 (E_RNA) where: Base-Base interactions energy: -2054.407 where: short stacking energy: -840.562 Base-Backbone interact. energy: -1.549 local terms energy: -879.057278 where: bonds (distance) C4'-P energy: -154.278 bonds (distance) P-C4' energy: -161.171 flat angles C4'-P-C4' energy: -184.513 flat angles P-C4'-P energy: -133.823 tors. eta vs tors. theta energy: -245.273 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: 2, replica: 10 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -2841.825221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.825221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.825221 (E_RNA) where: Base-Base interactions energy: -2001.812 where: short stacking energy: -819.295 Base-Backbone interact. energy: -7.076 local terms energy: -832.936841 where: bonds (distance) C4'-P energy: -155.646 bonds (distance) P-C4' energy: -150.179 flat angles C4'-P-C4' energy: -188.136 flat angles P-C4'-P energy: -112.347 tors. eta vs tors. theta energy: -226.629 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: 7 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -2766.086259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.086259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.086259 (E_RNA) where: Base-Base interactions energy: -1917.203 where: short stacking energy: -844.846 Base-Backbone interact. energy: 8.678 local terms energy: -857.561570 where: bonds (distance) C4'-P energy: -148.606 bonds (distance) P-C4' energy: -145.467 flat angles C4'-P-C4' energy: -183.053 flat angles P-C4'-P energy: -128.680 tors. eta vs tors. theta energy: -251.756 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: 4, replica: 4 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -2647.541118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.541118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.541118 (E_RNA) where: Base-Base interactions energy: -1814.172 where: short stacking energy: -813.797 Base-Backbone interact. energy: -6.027 local terms energy: -827.341826 where: bonds (distance) C4'-P energy: -153.763 bonds (distance) P-C4' energy: -149.386 flat angles C4'-P-C4' energy: -172.056 flat angles P-C4'-P energy: -117.518 tors. eta vs tors. theta energy: -234.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -2501.237829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.237829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.237829 (E_RNA) where: Base-Base interactions energy: -1786.505 where: short stacking energy: -768.547 Base-Backbone interact. energy: -1.665 local terms energy: -713.067711 where: bonds (distance) C4'-P energy: -121.730 bonds (distance) P-C4' energy: -137.994 flat angles C4'-P-C4' energy: -158.106 flat angles P-C4'-P energy: -88.377 tors. eta vs tors. theta energy: -206.861 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: 6, replica: 9 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -2383.122038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.122038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.122038 (E_RNA) where: Base-Base interactions energy: -1675.316 where: short stacking energy: -705.885 Base-Backbone interact. energy: -4.306 local terms energy: -703.500283 where: bonds (distance) C4'-P energy: -117.471 bonds (distance) P-C4' energy: -136.644 flat angles C4'-P-C4' energy: -150.631 flat angles P-C4'-P energy: -94.880 tors. eta vs tors. theta energy: -203.874 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: 8 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -2041.668180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.668180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.668180 (E_RNA) where: Base-Base interactions energy: -1362.433 where: short stacking energy: -584.666 Base-Backbone interact. energy: 0.075 local terms energy: -679.310437 where: bonds (distance) C4'-P energy: -152.676 bonds (distance) P-C4' energy: -137.559 flat angles C4'-P-C4' energy: -148.457 flat angles P-C4'-P energy: -98.414 tors. eta vs tors. theta energy: -142.204 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: 2 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1756.558586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.558586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.558586 (E_RNA) where: Base-Base interactions energy: -1164.261 where: short stacking energy: -535.639 Base-Backbone interact. energy: 1.688 local terms energy: -593.984744 where: bonds (distance) C4'-P energy: -125.492 bonds (distance) P-C4' energy: -124.660 flat angles C4'-P-C4' energy: -137.653 flat angles P-C4'-P energy: -96.101 tors. eta vs tors. theta energy: -110.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -1393.535427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.535427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.535427 (E_RNA) where: Base-Base interactions energy: -882.582 where: short stacking energy: -374.768 Base-Backbone interact. energy: 2.224 local terms energy: -513.176822 where: bonds (distance) C4'-P energy: -118.701 bonds (distance) P-C4' energy: -122.717 flat angles C4'-P-C4' energy: -137.516 flat angles P-C4'-P energy: -66.210 tors. eta vs tors. theta energy: -68.033 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: 10, replica: 3 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -991.734450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.734450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.734450 (E_RNA) where: Base-Base interactions energy: -567.369 where: short stacking energy: -315.220 Base-Backbone interact. energy: 3.363 local terms energy: -427.728369 where: bonds (distance) C4'-P energy: -89.153 bonds (distance) P-C4' energy: -137.390 flat angles C4'-P-C4' energy: -107.821 flat angles P-C4'-P energy: -68.421 tors. eta vs tors. theta energy: -24.944 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: 1, replica: 10 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -2928.797793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.797793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.797793 (E_RNA) where: Base-Base interactions energy: -2063.168 where: short stacking energy: -864.366 Base-Backbone interact. energy: -3.924 local terms energy: -861.705831 where: bonds (distance) C4'-P energy: -150.757 bonds (distance) P-C4' energy: -160.685 flat angles C4'-P-C4' energy: -189.149 flat angles P-C4'-P energy: -128.483 tors. eta vs tors. theta energy: -232.632 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: 2, replica: 6 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2890.514561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.514561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.514561 (E_RNA) where: Base-Base interactions energy: -2025.566 where: short stacking energy: -869.784 Base-Backbone interact. energy: -4.301 local terms energy: -860.648073 where: bonds (distance) C4'-P energy: -162.466 bonds (distance) P-C4' energy: -142.345 flat angles C4'-P-C4' energy: -182.455 flat angles P-C4'-P energy: -131.606 tors. eta vs tors. theta energy: -241.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -2777.862009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.862009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.862009 (E_RNA) where: Base-Base interactions energy: -1914.415 where: short stacking energy: -822.847 Base-Backbone interact. energy: -0.378 local terms energy: -863.069396 where: bonds (distance) C4'-P energy: -157.573 bonds (distance) P-C4' energy: -165.381 flat angles C4'-P-C4' energy: -175.595 flat angles P-C4'-P energy: -114.691 tors. eta vs tors. theta energy: -249.829 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: 4, replica: 4 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -2642.215550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.215550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.215550 (E_RNA) where: Base-Base interactions energy: -1825.653 where: short stacking energy: -815.805 Base-Backbone interact. energy: -0.723 local terms energy: -815.839097 where: bonds (distance) C4'-P energy: -137.416 bonds (distance) P-C4' energy: -152.315 flat angles C4'-P-C4' energy: -178.132 flat angles P-C4'-P energy: -121.361 tors. eta vs tors. theta energy: -226.615 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: 9 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -2404.603126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.603126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.603126 (E_RNA) where: Base-Base interactions energy: -1670.172 where: short stacking energy: -718.267 Base-Backbone interact. energy: 1.103 local terms energy: -735.534806 where: bonds (distance) C4'-P energy: -136.671 bonds (distance) P-C4' energy: -149.024 flat angles C4'-P-C4' energy: -168.273 flat angles P-C4'-P energy: -94.569 tors. eta vs tors. theta energy: -186.997 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: 5 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -2362.057320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.057320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.057320 (E_RNA) where: Base-Base interactions energy: -1627.131 where: short stacking energy: -667.192 Base-Backbone interact. energy: -2.172 local terms energy: -732.754603 where: bonds (distance) C4'-P energy: -114.316 bonds (distance) P-C4' energy: -145.166 flat angles C4'-P-C4' energy: -176.560 flat angles P-C4'-P energy: -97.110 tors. eta vs tors. theta energy: -199.602 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: 8 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -2038.710404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.710404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.710404 (E_RNA) where: Base-Base interactions energy: -1377.969 where: short stacking energy: -605.086 Base-Backbone interact. energy: 2.810 local terms energy: -663.551161 where: bonds (distance) C4'-P energy: -123.645 bonds (distance) P-C4' energy: -131.437 flat angles C4'-P-C4' energy: -160.282 flat angles P-C4'-P energy: -92.537 tors. eta vs tors. theta energy: -155.651 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: 2 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1777.727572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.727572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.727572 (E_RNA) where: Base-Base interactions energy: -1150.667 where: short stacking energy: -511.019 Base-Backbone interact. energy: -2.151 local terms energy: -624.908886 where: bonds (distance) C4'-P energy: -131.995 bonds (distance) P-C4' energy: -151.531 flat angles C4'-P-C4' energy: -140.525 flat angles P-C4'-P energy: -83.797 tors. eta vs tors. theta energy: -117.061 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: 1 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -1394.010848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.010848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.010848 (E_RNA) where: Base-Base interactions energy: -881.344 where: short stacking energy: -417.769 Base-Backbone interact. energy: -5.403 local terms energy: -507.264417 where: bonds (distance) C4'-P energy: -105.467 bonds (distance) P-C4' energy: -143.686 flat angles C4'-P-C4' energy: -123.067 flat angles P-C4'-P energy: -72.020 tors. eta vs tors. theta energy: -63.025 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: 10, replica: 3 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -981.097186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.097186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.097186 (E_RNA) where: Base-Base interactions energy: -535.004 where: short stacking energy: -265.624 Base-Backbone interact. energy: -3.414 local terms energy: -442.678516 where: bonds (distance) C4'-P energy: -116.141 bonds (distance) P-C4' energy: -138.210 flat angles C4'-P-C4' energy: -105.153 flat angles P-C4'-P energy: -73.211 tors. eta vs tors. theta energy: -9.964 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: 10 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -2924.268282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.268282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.268282 (E_RNA) where: Base-Base interactions energy: -2061.804 where: short stacking energy: -873.750 Base-Backbone interact. energy: -8.348 local terms energy: -854.116595 where: bonds (distance) C4'-P energy: -153.059 bonds (distance) P-C4' energy: -158.687 flat angles C4'-P-C4' energy: -175.299 flat angles P-C4'-P energy: -132.734 tors. eta vs tors. theta energy: -234.337 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: 6 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -2896.032486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.032486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.032486 (E_RNA) where: Base-Base interactions energy: -2029.094 where: short stacking energy: -866.945 Base-Backbone interact. energy: -2.093 local terms energy: -864.845695 where: bonds (distance) C4'-P energy: -148.729 bonds (distance) P-C4' energy: -157.500 flat angles C4'-P-C4' energy: -182.463 flat angles P-C4'-P energy: -122.854 tors. eta vs tors. theta energy: -253.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -2773.574572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.574572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.574572 (E_RNA) where: Base-Base interactions energy: -1914.693 where: short stacking energy: -828.252 Base-Backbone interact. energy: -0.919 local terms energy: -857.963220 where: bonds (distance) C4'-P energy: -149.520 bonds (distance) P-C4' energy: -152.584 flat angles C4'-P-C4' energy: -185.787 flat angles P-C4'-P energy: -116.429 tors. eta vs tors. theta energy: -253.643 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: 4, replica: 4 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -2663.144204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.144204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.144204 (E_RNA) where: Base-Base interactions energy: -1839.398 where: short stacking energy: -814.092 Base-Backbone interact. energy: -2.192 local terms energy: -821.554310 where: bonds (distance) C4'-P energy: -148.971 bonds (distance) P-C4' energy: -155.431 flat angles C4'-P-C4' energy: -162.020 flat angles P-C4'-P energy: -109.744 tors. eta vs tors. theta energy: -245.389 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: 5, replica: 9 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -2473.336252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.336252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.336252 (E_RNA) where: Base-Base interactions energy: -1732.190 where: short stacking energy: -740.440 Base-Backbone interact. energy: -2.458 local terms energy: -738.688521 where: bonds (distance) C4'-P energy: -118.439 bonds (distance) P-C4' energy: -158.887 flat angles C4'-P-C4' energy: -171.012 flat angles P-C4'-P energy: -97.057 tors. eta vs tors. theta energy: -193.294 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: 6, replica: 5 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -2315.232449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.232449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.232449 (E_RNA) where: Base-Base interactions energy: -1619.390 where: short stacking energy: -681.054 Base-Backbone interact. energy: -3.115 local terms energy: -692.727807 where: bonds (distance) C4'-P energy: -128.655 bonds (distance) P-C4' energy: -143.096 flat angles C4'-P-C4' energy: -157.619 flat angles P-C4'-P energy: -88.304 tors. eta vs tors. theta energy: -175.053 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: 7, replica: 8 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -2004.831264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.831264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.831264 (E_RNA) where: Base-Base interactions energy: -1374.124 where: short stacking energy: -581.359 Base-Backbone interact. energy: -0.453 local terms energy: -630.254144 where: bonds (distance) C4'-P energy: -124.488 bonds (distance) P-C4' energy: -118.733 flat angles C4'-P-C4' energy: -144.245 flat angles P-C4'-P energy: -87.576 tors. eta vs tors. theta energy: -155.212 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: 8, replica: 2 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -1780.262528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.262528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.262528 (E_RNA) where: Base-Base interactions energy: -1194.861 where: short stacking energy: -562.374 Base-Backbone interact. energy: 3.317 local terms energy: -588.717784 where: bonds (distance) C4'-P energy: -127.998 bonds (distance) P-C4' energy: -135.836 flat angles C4'-P-C4' energy: -130.786 flat angles P-C4'-P energy: -80.435 tors. eta vs tors. theta energy: -113.662 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: 9, replica: 1 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -1443.163385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.163385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.163385 (E_RNA) where: Base-Base interactions energy: -918.569 where: short stacking energy: -442.021 Base-Backbone interact. energy: 0.740 local terms energy: -525.334789 where: bonds (distance) C4'-P energy: -111.974 bonds (distance) P-C4' energy: -138.068 flat angles C4'-P-C4' energy: -117.894 flat angles P-C4'-P energy: -80.275 tors. eta vs tors. theta energy: -77.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -909.963881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.963881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.963881 (E_RNA) where: Base-Base interactions energy: -475.197 where: short stacking energy: -277.079 Base-Backbone interact. energy: -0.502 local terms energy: -434.265025 where: bonds (distance) C4'-P energy: -139.142 bonds (distance) P-C4' energy: -108.220 flat angles C4'-P-C4' energy: -129.545 flat angles P-C4'-P energy: -56.543 tors. eta vs tors. theta energy: -0.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -2959.919721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.919721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.919721 (E_RNA) where: Base-Base interactions energy: -2094.901 where: short stacking energy: -880.113 Base-Backbone interact. energy: -5.469 local terms energy: -859.549334 where: bonds (distance) C4'-P energy: -134.957 bonds (distance) P-C4' energy: -148.931 flat angles C4'-P-C4' energy: -193.035 flat angles P-C4'-P energy: -125.425 tors. eta vs tors. theta energy: -257.201 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: 2, replica: 10 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -2878.717415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.717415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.717415 (E_RNA) where: Base-Base interactions energy: -2015.414 where: short stacking energy: -863.313 Base-Backbone interact. energy: -3.193 local terms energy: -860.110357 where: bonds (distance) C4'-P energy: -137.405 bonds (distance) P-C4' energy: -168.215 flat angles C4'-P-C4' energy: -197.158 flat angles P-C4'-P energy: -121.633 tors. eta vs tors. theta energy: -235.699 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: 7 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -2758.371562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.371562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.371562 (E_RNA) where: Base-Base interactions energy: -1902.054 where: short stacking energy: -806.279 Base-Backbone interact. energy: -3.059 local terms energy: -853.259043 where: bonds (distance) C4'-P energy: -150.629 bonds (distance) P-C4' energy: -167.551 flat angles C4'-P-C4' energy: -174.655 flat angles P-C4'-P energy: -114.500 tors. eta vs tors. theta energy: -245.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -2652.461737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.461737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.461737 (E_RNA) where: Base-Base interactions energy: -1824.175 where: short stacking energy: -798.984 Base-Backbone interact. energy: -0.840 local terms energy: -827.446921 where: bonds (distance) C4'-P energy: -136.725 bonds (distance) P-C4' energy: -153.762 flat angles C4'-P-C4' energy: -180.381 flat angles P-C4'-P energy: -119.089 tors. eta vs tors. theta energy: -237.490 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: 9 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -2518.815239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.815239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.815239 (E_RNA) where: Base-Base interactions energy: -1777.013 where: short stacking energy: -744.500 Base-Backbone interact. energy: 1.659 local terms energy: -743.461860 where: bonds (distance) C4'-P energy: -127.797 bonds (distance) P-C4' energy: -142.678 flat angles C4'-P-C4' energy: -165.986 flat angles P-C4'-P energy: -108.503 tors. eta vs tors. theta energy: -198.497 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: 6, replica: 5 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -2377.741851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.741851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.741851 (E_RNA) where: Base-Base interactions energy: -1625.610 where: short stacking energy: -693.193 Base-Backbone interact. energy: -3.130 local terms energy: -749.001159 where: bonds (distance) C4'-P energy: -123.145 bonds (distance) P-C4' energy: -140.116 flat angles C4'-P-C4' energy: -171.147 flat angles P-C4'-P energy: -105.710 tors. eta vs tors. theta energy: -208.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -2069.187064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.187064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.187064 (E_RNA) where: Base-Base interactions energy: -1410.098 where: short stacking energy: -613.711 Base-Backbone interact. energy: -0.676 local terms energy: -658.413153 where: bonds (distance) C4'-P energy: -139.673 bonds (distance) P-C4' energy: -134.729 flat angles C4'-P-C4' energy: -136.222 flat angles P-C4'-P energy: -101.500 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: 8, replica: 2 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1743.876830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.876830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.876830 (E_RNA) where: Base-Base interactions energy: -1153.742 where: short stacking energy: -496.138 Base-Backbone interact. energy: -4.404 local terms energy: -585.730494 where: bonds (distance) C4'-P energy: -147.061 bonds (distance) P-C4' energy: -105.154 flat angles C4'-P-C4' energy: -148.273 flat angles P-C4'-P energy: -84.940 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: 9, replica: 1 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -1333.993826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.993826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.993826 (E_RNA) where: Base-Base interactions energy: -824.639 where: short stacking energy: -397.461 Base-Backbone interact. energy: -3.758 local terms energy: -505.597243 where: bonds (distance) C4'-P energy: -118.353 bonds (distance) P-C4' energy: -133.950 flat angles C4'-P-C4' energy: -116.082 flat angles P-C4'-P energy: -86.337 tors. eta vs tors. theta energy: -50.875 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: 3 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -935.045467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.045467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.045467 (E_RNA) where: Base-Base interactions energy: -498.411 where: short stacking energy: -280.758 Base-Backbone interact. energy: 2.479 local terms energy: -439.113438 where: bonds (distance) C4'-P energy: -127.578 bonds (distance) P-C4' energy: -150.784 flat angles C4'-P-C4' energy: -113.725 flat angles P-C4'-P energy: -53.203 tors. eta vs tors. theta energy: 6.177 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: 6 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -2938.523926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.523926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.523926 (E_RNA) where: Base-Base interactions energy: -2061.858 where: short stacking energy: -864.816 Base-Backbone interact. energy: -4.852 local terms energy: -871.814089 where: bonds (distance) C4'-P energy: -152.722 bonds (distance) P-C4' energy: -155.017 flat angles C4'-P-C4' energy: -179.822 flat angles P-C4'-P energy: -129.960 tors. eta vs tors. theta energy: -254.293 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: 2, replica: 10 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -2853.573451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.573451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.573451 (E_RNA) where: Base-Base interactions energy: -2000.480 where: short stacking energy: -854.339 Base-Backbone interact. energy: -3.400 local terms energy: -849.693503 where: bonds (distance) C4'-P energy: -161.399 bonds (distance) P-C4' energy: -146.487 flat angles C4'-P-C4' energy: -182.905 flat angles P-C4'-P energy: -123.638 tors. eta vs tors. theta energy: -235.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -2750.228943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.228943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.228943 (E_RNA) where: Base-Base interactions energy: -1892.203 where: short stacking energy: -833.158 Base-Backbone interact. energy: -4.523 local terms energy: -853.503420 where: bonds (distance) C4'-P energy: -144.983 bonds (distance) P-C4' energy: -140.540 flat angles C4'-P-C4' energy: -195.822 flat angles P-C4'-P energy: -127.029 tors. eta vs tors. theta energy: -245.129 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: 4 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -2588.405384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.405384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.405384 (E_RNA) where: Base-Base interactions energy: -1786.413 where: short stacking energy: -776.582 Base-Backbone interact. energy: -0.586 local terms energy: -801.406374 where: bonds (distance) C4'-P energy: -141.393 bonds (distance) P-C4' energy: -153.049 flat angles C4'-P-C4' energy: -165.574 flat angles P-C4'-P energy: -115.042 tors. eta vs tors. theta energy: -226.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -2570.721605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.721605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.721605 (E_RNA) where: Base-Base interactions energy: -1791.150 where: short stacking energy: -759.684 Base-Backbone interact. energy: 0.356 local terms energy: -779.927809 where: bonds (distance) C4'-P energy: -139.298 bonds (distance) P-C4' energy: -151.543 flat angles C4'-P-C4' energy: -165.289 flat angles P-C4'-P energy: -108.295 tors. eta vs tors. theta energy: -215.503 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: 5 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -2310.320913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.320913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.320913 (E_RNA) where: Base-Base interactions energy: -1584.183 where: short stacking energy: -667.059 Base-Backbone interact. energy: -2.437 local terms energy: -723.701034 where: bonds (distance) C4'-P energy: -127.659 bonds (distance) P-C4' energy: -138.830 flat angles C4'-P-C4' energy: -151.022 flat angles P-C4'-P energy: -106.730 tors. eta vs tors. theta energy: -199.460 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: 7, replica: 8 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -2098.972787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.972787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.972787 (E_RNA) where: Base-Base interactions energy: -1441.071 where: short stacking energy: -641.491 Base-Backbone interact. energy: -1.221 local terms energy: -656.680652 where: bonds (distance) C4'-P energy: -125.978 bonds (distance) P-C4' energy: -141.624 flat angles C4'-P-C4' energy: -147.576 flat angles P-C4'-P energy: -80.133 tors. eta vs tors. theta energy: -161.369 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: 2 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1742.196764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.196764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.196764 (E_RNA) where: Base-Base interactions energy: -1113.779 where: short stacking energy: -527.569 Base-Backbone interact. energy: 1.693 local terms energy: -630.110949 where: bonds (distance) C4'-P energy: -114.144 bonds (distance) P-C4' energy: -154.511 flat angles C4'-P-C4' energy: -145.365 flat angles P-C4'-P energy: -98.284 tors. eta vs tors. theta energy: -117.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -1302.209064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.209064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.209064 (E_RNA) where: Base-Base interactions energy: -779.878 where: short stacking energy: -377.475 Base-Backbone interact. energy: -0.086 local terms energy: -522.244615 where: bonds (distance) C4'-P energy: -144.834 bonds (distance) P-C4' energy: -110.623 flat angles C4'-P-C4' energy: -137.912 flat angles P-C4'-P energy: -87.608 tors. eta vs tors. theta energy: -41.267 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: 3 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -981.476280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.476280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.476280 (E_RNA) where: Base-Base interactions energy: -550.636 where: short stacking energy: -310.495 Base-Backbone interact. energy: 8.603 local terms energy: -439.443201 where: bonds (distance) C4'-P energy: -104.192 bonds (distance) P-C4' energy: -135.209 flat angles C4'-P-C4' energy: -120.195 flat angles P-C4'-P energy: -69.329 tors. eta vs tors. theta energy: -10.517 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: 1, replica: 6 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -2974.425655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.425655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.425655 (E_RNA) where: Base-Base interactions energy: -2084.512 where: short stacking energy: -893.639 Base-Backbone interact. energy: -5.736 local terms energy: -884.177498 where: bonds (distance) C4'-P energy: -153.163 bonds (distance) P-C4' energy: -171.364 flat angles C4'-P-C4' energy: -181.363 flat angles P-C4'-P energy: -130.901 tors. eta vs tors. theta energy: -247.387 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: 2, replica: 10 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -2876.900984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.900984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.900984 (E_RNA) where: Base-Base interactions energy: -2028.068 where: short stacking energy: -845.857 Base-Backbone interact. energy: -5.943 local terms energy: -842.889849 where: bonds (distance) C4'-P energy: -135.013 bonds (distance) P-C4' energy: -171.906 flat angles C4'-P-C4' energy: -180.306 flat angles P-C4'-P energy: -120.382 tors. eta vs tors. theta energy: -235.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -2753.874780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.874780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.874780 (E_RNA) where: Base-Base interactions energy: -1930.373 where: short stacking energy: -846.960 Base-Backbone interact. energy: -2.383 local terms energy: -821.118772 where: bonds (distance) C4'-P energy: -133.034 bonds (distance) P-C4' energy: -151.422 flat angles C4'-P-C4' energy: -175.112 flat angles P-C4'-P energy: -120.990 tors. eta vs tors. theta energy: -240.561 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: 4, replica: 4 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -2620.311826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.311826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.311826 (E_RNA) where: Base-Base interactions energy: -1833.460 where: short stacking energy: -791.881 Base-Backbone interact. energy: -2.214 local terms energy: -784.637743 where: bonds (distance) C4'-P energy: -138.941 bonds (distance) P-C4' energy: -152.087 flat angles C4'-P-C4' energy: -174.963 flat angles P-C4'-P energy: -87.517 tors. eta vs tors. theta energy: -231.130 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: 9 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -2511.702774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.702774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.702774 (E_RNA) where: Base-Base interactions energy: -1759.706 where: short stacking energy: -744.186 Base-Backbone interact. energy: -4.038 local terms energy: -747.958884 where: bonds (distance) C4'-P energy: -143.421 bonds (distance) P-C4' energy: -145.983 flat angles C4'-P-C4' energy: -164.810 flat angles P-C4'-P energy: -103.815 tors. eta vs tors. theta energy: -189.930 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: 6, replica: 5 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -2367.706003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.706003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.706003 (E_RNA) where: Base-Base interactions energy: -1620.258 where: short stacking energy: -690.243 Base-Backbone interact. energy: -5.357 local terms energy: -742.091291 where: bonds (distance) C4'-P energy: -128.495 bonds (distance) P-C4' energy: -139.864 flat angles C4'-P-C4' energy: -162.479 flat angles P-C4'-P energy: -114.432 tors. eta vs tors. theta energy: -196.822 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: 7, replica: 8 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -2144.645462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.645462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.645462 (E_RNA) where: Base-Base interactions energy: -1458.405 where: short stacking energy: -617.686 Base-Backbone interact. energy: -3.101 local terms energy: -683.139544 where: bonds (distance) C4'-P energy: -131.153 bonds (distance) P-C4' energy: -156.120 flat angles C4'-P-C4' energy: -152.699 flat angles P-C4'-P energy: -75.035 tors. eta vs tors. theta energy: -168.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1722.980364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.980364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.980364 (E_RNA) where: Base-Base interactions energy: -1135.851 where: short stacking energy: -516.809 Base-Backbone interact. energy: 2.642 local terms energy: -589.770897 where: bonds (distance) C4'-P energy: -128.412 bonds (distance) P-C4' energy: -129.184 flat angles C4'-P-C4' energy: -143.896 flat angles P-C4'-P energy: -68.077 tors. eta vs tors. theta energy: -120.202 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: 1 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -1342.111858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.111858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.111858 (E_RNA) where: Base-Base interactions energy: -820.994 where: short stacking energy: -390.145 Base-Backbone interact. energy: -6.256 local terms energy: -514.861776 where: bonds (distance) C4'-P energy: -131.668 bonds (distance) P-C4' energy: -136.411 flat angles C4'-P-C4' energy: -129.510 flat angles P-C4'-P energy: -62.021 tors. eta vs tors. theta energy: -55.251 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: 10, replica: 3 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -1008.473100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.473100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.473100 (E_RNA) where: Base-Base interactions energy: -572.618 where: short stacking energy: -324.161 Base-Backbone interact. energy: 9.975 local terms energy: -445.830531 where: bonds (distance) C4'-P energy: -128.434 bonds (distance) P-C4' energy: -114.454 flat angles C4'-P-C4' energy: -119.911 flat angles P-C4'-P energy: -59.854 tors. eta vs tors. theta energy: -23.177 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: 6 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -2961.832589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.832589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.832589 (E_RNA) where: Base-Base interactions energy: -2108.931 where: short stacking energy: -870.991 Base-Backbone interact. energy: -7.327 local terms energy: -845.574359 where: bonds (distance) C4'-P energy: -157.683 bonds (distance) P-C4' energy: -149.111 flat angles C4'-P-C4' energy: -178.636 flat angles P-C4'-P energy: -119.778 tors. eta vs tors. theta energy: -240.367 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: 10 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -2902.730423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.730423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.730423 (E_RNA) where: Base-Base interactions energy: -2051.090 where: short stacking energy: -849.667 Base-Backbone interact. energy: -3.913 local terms energy: -847.727412 where: bonds (distance) C4'-P energy: -144.774 bonds (distance) P-C4' energy: -161.595 flat angles C4'-P-C4' energy: -181.979 flat angles P-C4'-P energy: -131.057 tors. eta vs tors. theta energy: -228.322 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: 3, replica: 7 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -2765.933728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.933728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.933728 (E_RNA) where: Base-Base interactions energy: -1916.172 where: short stacking energy: -831.296 Base-Backbone interact. energy: -4.504 local terms energy: -845.258343 where: bonds (distance) C4'-P energy: -154.292 bonds (distance) P-C4' energy: -146.753 flat angles C4'-P-C4' energy: -176.710 flat angles P-C4'-P energy: -114.966 tors. eta vs tors. theta energy: -252.537 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: 4, replica: 4 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -2674.787622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.787622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.787622 (E_RNA) where: Base-Base interactions energy: -1892.178 where: short stacking energy: -822.564 Base-Backbone interact. energy: -2.650 local terms energy: -779.959909 where: bonds (distance) C4'-P energy: -137.850 bonds (distance) P-C4' energy: -130.497 flat angles C4'-P-C4' energy: -179.734 flat angles P-C4'-P energy: -113.315 tors. eta vs tors. theta energy: -218.565 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: 9 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -2453.072925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.072925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.072925 (E_RNA) where: Base-Base interactions energy: -1733.200 where: short stacking energy: -723.472 Base-Backbone interact. energy: -0.767 local terms energy: -719.105611 where: bonds (distance) C4'-P energy: -128.849 bonds (distance) P-C4' energy: -132.987 flat angles C4'-P-C4' energy: -156.313 flat angles P-C4'-P energy: -108.439 tors. eta vs tors. theta energy: -192.518 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: 6, replica: 5 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -2382.302524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.302524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.302524 (E_RNA) where: Base-Base interactions energy: -1666.113 where: short stacking energy: -702.089 Base-Backbone interact. energy: -2.327 local terms energy: -713.862969 where: bonds (distance) C4'-P energy: -123.685 bonds (distance) P-C4' energy: -142.369 flat angles C4'-P-C4' energy: -153.477 flat angles P-C4'-P energy: -101.634 tors. eta vs tors. theta energy: -192.698 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: 7, replica: 8 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -2025.685617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.685617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.685617 (E_RNA) where: Base-Base interactions energy: -1361.750 where: short stacking energy: -579.231 Base-Backbone interact. energy: -0.663 local terms energy: -663.273178 where: bonds (distance) C4'-P energy: -125.800 bonds (distance) P-C4' energy: -142.157 flat angles C4'-P-C4' energy: -143.983 flat angles P-C4'-P energy: -115.504 tors. eta vs tors. theta energy: -135.828 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: 8, replica: 2 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -1730.601972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.601972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.601972 (E_RNA) where: Base-Base interactions energy: -1095.795 where: short stacking energy: -503.392 Base-Backbone interact. energy: -3.307 local terms energy: -631.500180 where: bonds (distance) C4'-P energy: -120.034 bonds (distance) P-C4' energy: -144.224 flat angles C4'-P-C4' energy: -143.057 flat angles P-C4'-P energy: -102.039 tors. eta vs tors. theta energy: -122.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -1301.439065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.439065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.439065 (E_RNA) where: Base-Base interactions energy: -783.176 where: short stacking energy: -377.470 Base-Backbone interact. energy: 1.253 local terms energy: -519.515275 where: bonds (distance) C4'-P energy: -109.843 bonds (distance) P-C4' energy: -131.202 flat angles C4'-P-C4' energy: -131.299 flat angles P-C4'-P energy: -98.346 tors. eta vs tors. theta energy: -48.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -1065.420606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.420606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.420606 (E_RNA) where: Base-Base interactions energy: -582.825 where: short stacking energy: -301.400 Base-Backbone interact. energy: -3.299 local terms energy: -479.297200 where: bonds (distance) C4'-P energy: -132.243 bonds (distance) P-C4' energy: -129.775 flat angles C4'-P-C4' energy: -116.312 flat angles P-C4'-P energy: -75.605 tors. eta vs tors. theta energy: -25.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -2937.240323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.240323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.240323 (E_RNA) where: Base-Base interactions energy: -2053.508 where: short stacking energy: -857.815 Base-Backbone interact. energy: -3.428 local terms energy: -880.304564 where: bonds (distance) C4'-P energy: -170.520 bonds (distance) P-C4' energy: -163.735 flat angles C4'-P-C4' energy: -194.317 flat angles P-C4'-P energy: -108.508 tors. eta vs tors. theta energy: -243.224 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: 10 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -2849.840786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.840786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.840786 (E_RNA) where: Base-Base interactions energy: -2004.709 where: short stacking energy: -852.379 Base-Backbone interact. energy: 1.109 local terms energy: -846.241499 where: bonds (distance) C4'-P energy: -157.874 bonds (distance) P-C4' energy: -158.123 flat angles C4'-P-C4' energy: -169.027 flat angles P-C4'-P energy: -120.335 tors. eta vs tors. theta energy: -240.882 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: 3, replica: 7 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -2756.333396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.333396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.333396 (E_RNA) where: Base-Base interactions energy: -1914.268 where: short stacking energy: -820.470 Base-Backbone interact. energy: -0.579 local terms energy: -841.486975 where: bonds (distance) C4'-P energy: -141.996 bonds (distance) P-C4' energy: -148.520 flat angles C4'-P-C4' energy: -180.251 flat angles P-C4'-P energy: -121.186 tors. eta vs tors. theta energy: -249.535 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: 4, replica: 4 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -2672.258084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.258084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.258084 (E_RNA) where: Base-Base interactions energy: -1859.214 where: short stacking energy: -797.109 Base-Backbone interact. energy: 1.301 local terms energy: -814.344737 where: bonds (distance) C4'-P energy: -134.485 bonds (distance) P-C4' energy: -159.133 flat angles C4'-P-C4' energy: -180.707 flat angles P-C4'-P energy: -113.017 tors. eta vs tors. theta energy: -227.003 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: 5, replica: 9 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -2500.567616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.567616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.567616 (E_RNA) where: Base-Base interactions energy: -1739.049 where: short stacking energy: -743.989 Base-Backbone interact. energy: -3.323 local terms energy: -758.195977 where: bonds (distance) C4'-P energy: -144.183 bonds (distance) P-C4' energy: -140.758 flat angles C4'-P-C4' energy: -163.889 flat angles P-C4'-P energy: -105.011 tors. eta vs tors. theta energy: -204.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -2376.051529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.051529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.051529 (E_RNA) where: Base-Base interactions energy: -1636.299 where: short stacking energy: -701.404 Base-Backbone interact. energy: -0.241 local terms energy: -739.511611 where: bonds (distance) C4'-P energy: -145.558 bonds (distance) P-C4' energy: -150.490 flat angles C4'-P-C4' energy: -153.802 flat angles P-C4'-P energy: -93.289 tors. eta vs tors. theta energy: -196.373 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: 7, replica: 8 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1994.305351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.305351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.305351 (E_RNA) where: Base-Base interactions energy: -1343.397 where: short stacking energy: -586.774 Base-Backbone interact. energy: -1.915 local terms energy: -648.993434 where: bonds (distance) C4'-P energy: -120.455 bonds (distance) P-C4' energy: -127.467 flat angles C4'-P-C4' energy: -158.140 flat angles P-C4'-P energy: -96.429 tors. eta vs tors. theta energy: -146.502 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: 8, replica: 2 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -1800.245927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.245927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.245927 (E_RNA) where: Base-Base interactions energy: -1207.262 where: short stacking energy: -521.924 Base-Backbone interact. energy: -2.223 local terms energy: -590.761051 where: bonds (distance) C4'-P energy: -132.206 bonds (distance) P-C4' energy: -126.936 flat angles C4'-P-C4' energy: -142.504 flat angles P-C4'-P energy: -77.471 tors. eta vs tors. theta energy: -111.644 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: 9, replica: 1 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -1376.803366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.803366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.803366 (E_RNA) where: Base-Base interactions energy: -837.352 where: short stacking energy: -409.929 Base-Backbone interact. energy: -0.972 local terms energy: -538.479476 where: bonds (distance) C4'-P energy: -133.595 bonds (distance) P-C4' energy: -123.275 flat angles C4'-P-C4' energy: -128.086 flat angles P-C4'-P energy: -80.240 tors. eta vs tors. theta energy: -73.283 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: 3 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -1144.160818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.160818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.160818 (E_RNA) where: Base-Base interactions energy: -622.866 where: short stacking energy: -320.626 Base-Backbone interact. energy: -3.223 local terms energy: -518.072692 where: bonds (distance) C4'-P energy: -114.844 bonds (distance) P-C4' energy: -132.126 flat angles C4'-P-C4' energy: -141.536 flat angles P-C4'-P energy: -82.615 tors. eta vs tors. theta energy: -46.952 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: 6 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -2943.797548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.797548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.797548 (E_RNA) where: Base-Base interactions energy: -2050.745 where: short stacking energy: -829.700 Base-Backbone interact. energy: -4.183 local terms energy: -888.869549 where: bonds (distance) C4'-P energy: -162.066 bonds (distance) P-C4' energy: -158.362 flat angles C4'-P-C4' energy: -185.387 flat angles P-C4'-P energy: -141.108 tors. eta vs tors. theta energy: -241.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -2829.250136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.250136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.250136 (E_RNA) where: Base-Base interactions energy: -1968.130 where: short stacking energy: -854.599 Base-Backbone interact. energy: -7.346 local terms energy: -853.774515 where: bonds (distance) C4'-P energy: -154.874 bonds (distance) P-C4' energy: -154.161 flat angles C4'-P-C4' energy: -178.752 flat angles P-C4'-P energy: -125.669 tors. eta vs tors. theta energy: -240.319 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: 3, replica: 7 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -2785.397066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.397066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.397066 (E_RNA) where: Base-Base interactions energy: -1949.736 where: short stacking energy: -861.521 Base-Backbone interact. energy: -1.493 local terms energy: -834.167911 where: bonds (distance) C4'-P energy: -124.908 bonds (distance) P-C4' energy: -151.485 flat angles C4'-P-C4' energy: -185.839 flat angles P-C4'-P energy: -116.728 tors. eta vs tors. theta energy: -255.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -2669.949649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.949649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.949649 (E_RNA) where: Base-Base interactions energy: -1884.410 where: short stacking energy: -799.090 Base-Backbone interact. energy: -3.098 local terms energy: -782.441511 where: bonds (distance) C4'-P energy: -131.037 bonds (distance) P-C4' energy: -137.176 flat angles C4'-P-C4' energy: -179.229 flat angles P-C4'-P energy: -108.999 tors. eta vs tors. theta energy: -226.001 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: 5, replica: 9 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -2524.175062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.175062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.175062 (E_RNA) where: Base-Base interactions energy: -1743.852 where: short stacking energy: -719.119 Base-Backbone interact. energy: -0.190 local terms energy: -780.132887 where: bonds (distance) C4'-P energy: -140.382 bonds (distance) P-C4' energy: -159.098 flat angles C4'-P-C4' energy: -166.765 flat angles P-C4'-P energy: -122.522 tors. eta vs tors. theta energy: -191.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -2375.249538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.249538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.249538 (E_RNA) where: Base-Base interactions energy: -1631.879 where: short stacking energy: -710.038 Base-Backbone interact. energy: 1.750 local terms energy: -745.119765 where: bonds (distance) C4'-P energy: -132.217 bonds (distance) P-C4' energy: -148.985 flat angles C4'-P-C4' energy: -170.014 flat angles P-C4'-P energy: -101.671 tors. eta vs tors. theta energy: -192.233 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: 8 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1988.323590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.323590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.323590 (E_RNA) where: Base-Base interactions energy: -1325.607 where: short stacking energy: -569.783 Base-Backbone interact. energy: -2.073 local terms energy: -660.644351 where: bonds (distance) C4'-P energy: -138.677 bonds (distance) P-C4' energy: -146.091 flat angles C4'-P-C4' energy: -144.641 flat angles P-C4'-P energy: -91.419 tors. eta vs tors. theta energy: -139.817 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: 8, replica: 2 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1777.128129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.128129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.128129 (E_RNA) where: Base-Base interactions energy: -1161.153 where: short stacking energy: -532.935 Base-Backbone interact. energy: -1.648 local terms energy: -614.327513 where: bonds (distance) C4'-P energy: -139.125 bonds (distance) P-C4' energy: -131.227 flat angles C4'-P-C4' energy: -147.724 flat angles P-C4'-P energy: -87.178 tors. eta vs tors. theta energy: -109.074 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: 1 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -1456.235669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.235669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.235669 (E_RNA) where: Base-Base interactions energy: -930.665 where: short stacking energy: -440.926 Base-Backbone interact. energy: -1.727 local terms energy: -523.842884 where: bonds (distance) C4'-P energy: -119.997 bonds (distance) P-C4' energy: -138.981 flat angles C4'-P-C4' energy: -123.441 flat angles P-C4'-P energy: -82.139 tors. eta vs tors. theta energy: -59.284 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: 3 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -983.475758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.475758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.475758 (E_RNA) where: Base-Base interactions energy: -556.297 where: short stacking energy: -295.228 Base-Backbone interact. energy: -0.816 local terms energy: -426.362181 where: bonds (distance) C4'-P energy: -99.399 bonds (distance) P-C4' energy: -118.641 flat angles C4'-P-C4' energy: -119.230 flat angles P-C4'-P energy: -80.666 tors. eta vs tors. theta energy: -8.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -2935.899396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.899396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.899396 (E_RNA) where: Base-Base interactions energy: -2043.055 where: short stacking energy: -858.940 Base-Backbone interact. energy: -0.670 local terms energy: -892.174755 where: bonds (distance) C4'-P energy: -170.794 bonds (distance) P-C4' energy: -153.111 flat angles C4'-P-C4' energy: -185.186 flat angles P-C4'-P energy: -133.683 tors. eta vs tors. theta energy: -249.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -2850.321369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.321369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.321369 (E_RNA) where: Base-Base interactions energy: -1991.708 where: short stacking energy: -847.602 Base-Backbone interact. energy: -3.205 local terms energy: -855.408366 where: bonds (distance) C4'-P energy: -153.413 bonds (distance) P-C4' energy: -161.161 flat angles C4'-P-C4' energy: -181.803 flat angles P-C4'-P energy: -121.378 tors. eta vs tors. theta energy: -237.654 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: 3, replica: 7 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -2795.928972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.928972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.928972 (E_RNA) where: Base-Base interactions energy: -1907.185 where: short stacking energy: -819.240 Base-Backbone interact. energy: -0.117 local terms energy: -888.627217 where: bonds (distance) C4'-P energy: -171.761 bonds (distance) P-C4' energy: -156.456 flat angles C4'-P-C4' energy: -189.359 flat angles P-C4'-P energy: -119.389 tors. eta vs tors. theta energy: -251.663 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: 4, replica: 4 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -2666.382050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.382050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.382050 (E_RNA) where: Base-Base interactions energy: -1849.593 where: short stacking energy: -789.976 Base-Backbone interact. energy: -4.288 local terms energy: -812.501238 where: bonds (distance) C4'-P energy: -149.904 bonds (distance) P-C4' energy: -150.431 flat angles C4'-P-C4' energy: -168.963 flat angles P-C4'-P energy: -115.560 tors. eta vs tors. theta energy: -227.642 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: 5, replica: 9 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -2592.606809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.606809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.606809 (E_RNA) where: Base-Base interactions energy: -1817.041 where: short stacking energy: -770.415 Base-Backbone interact. energy: -4.305 local terms energy: -771.260894 where: bonds (distance) C4'-P energy: -131.211 bonds (distance) P-C4' energy: -133.168 flat angles C4'-P-C4' energy: -171.686 flat angles P-C4'-P energy: -107.875 tors. eta vs tors. theta energy: -227.321 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: 406 Temperature: 1.150000 Total energy: -2388.793904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.793904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.793904 (E_RNA) where: Base-Base interactions energy: -1668.382 where: short stacking energy: -709.530 Base-Backbone interact. energy: -2.068 local terms energy: -718.343465 where: bonds (distance) C4'-P energy: -130.881 bonds (distance) P-C4' energy: -125.839 flat angles C4'-P-C4' energy: -153.917 flat angles P-C4'-P energy: -93.547 tors. eta vs tors. theta energy: -214.160 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: 7, replica: 8 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1947.953577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.953577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.953577 (E_RNA) where: Base-Base interactions energy: -1289.685 where: short stacking energy: -542.466 Base-Backbone interact. energy: -2.452 local terms energy: -655.816521 where: bonds (distance) C4'-P energy: -145.859 bonds (distance) P-C4' energy: -120.526 flat angles C4'-P-C4' energy: -166.139 flat angles P-C4'-P energy: -85.081 tors. eta vs tors. theta energy: -138.212 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: 8, replica: 2 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -1768.458268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.458268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.458268 (E_RNA) where: Base-Base interactions energy: -1178.155 where: short stacking energy: -514.176 Base-Backbone interact. energy: 8.244 local terms energy: -598.546916 where: bonds (distance) C4'-P energy: -127.222 bonds (distance) P-C4' energy: -129.192 flat angles C4'-P-C4' energy: -142.443 flat angles P-C4'-P energy: -81.615 tors. eta vs tors. theta energy: -118.075 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: 1 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -1478.620168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.620168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.620168 (E_RNA) where: Base-Base interactions energy: -952.807 where: short stacking energy: -448.400 Base-Backbone interact. energy: -1.293 local terms energy: -524.520508 where: bonds (distance) C4'-P energy: -117.043 bonds (distance) P-C4' energy: -126.731 flat angles C4'-P-C4' energy: -143.011 flat angles P-C4'-P energy: -62.168 tors. eta vs tors. theta energy: -75.568 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: 3 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -958.292213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.292213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.292213 (E_RNA) where: Base-Base interactions energy: -525.257 where: short stacking energy: -254.199 Base-Backbone interact. energy: -0.343 local terms energy: -432.692662 where: bonds (distance) C4'-P energy: -97.297 bonds (distance) P-C4' energy: -131.787 flat angles C4'-P-C4' energy: -117.640 flat angles P-C4'-P energy: -73.850 tors. eta vs tors. theta energy: -12.119 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: 1, replica: 6 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -2925.918119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.918119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.918119 (E_RNA) where: Base-Base interactions energy: -2037.656 where: short stacking energy: -854.866 Base-Backbone interact. energy: -6.703 local terms energy: -881.558755 where: bonds (distance) C4'-P energy: -160.693 bonds (distance) P-C4' energy: -149.636 flat angles C4'-P-C4' energy: -188.097 flat angles P-C4'-P energy: -135.013 tors. eta vs tors. theta energy: -248.120 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: 2, replica: 10 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -2834.999609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.999609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.999609 (E_RNA) where: Base-Base interactions energy: -1998.004 where: short stacking energy: -838.886 Base-Backbone interact. energy: -5.817 local terms energy: -831.178213 where: bonds (distance) C4'-P energy: -145.858 bonds (distance) P-C4' energy: -162.908 flat angles C4'-P-C4' energy: -174.142 flat angles P-C4'-P energy: -109.296 tors. eta vs tors. theta energy: -238.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -2807.131635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.131635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.131635 (E_RNA) where: Base-Base interactions energy: -1964.597 where: short stacking energy: -857.429 Base-Backbone interact. energy: -3.647 local terms energy: -838.887318 where: bonds (distance) C4'-P energy: -138.419 bonds (distance) P-C4' energy: -147.187 flat angles C4'-P-C4' energy: -188.072 flat angles P-C4'-P energy: -117.812 tors. eta vs tors. theta energy: -247.396 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: 4, replica: 9 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -2642.155454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.155454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.155454 (E_RNA) where: Base-Base interactions energy: -1833.081 where: short stacking energy: -775.284 Base-Backbone interact. energy: -1.987 local terms energy: -807.087109 where: bonds (distance) C4'-P energy: -147.949 bonds (distance) P-C4' energy: -159.600 flat angles C4'-P-C4' energy: -159.590 flat angles P-C4'-P energy: -114.757 tors. eta vs tors. theta energy: -225.191 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: 5, replica: 4 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -2598.266597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.266597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.266597 (E_RNA) where: Base-Base interactions energy: -1800.022 where: short stacking energy: -775.746 Base-Backbone interact. energy: -4.480 local terms energy: -793.764544 where: bonds (distance) C4'-P energy: -139.128 bonds (distance) P-C4' energy: -143.212 flat angles C4'-P-C4' energy: -167.952 flat angles P-C4'-P energy: -117.702 tors. eta vs tors. theta energy: -225.771 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: 407 Temperature: 1.150000 Total energy: -2373.326588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.326588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.326588 (E_RNA) where: Base-Base interactions energy: -1647.165 where: short stacking energy: -700.377 Base-Backbone interact. energy: 0.507 local terms energy: -726.668985 where: bonds (distance) C4'-P energy: -129.836 bonds (distance) P-C4' energy: -145.811 flat angles C4'-P-C4' energy: -162.814 flat angles P-C4'-P energy: -88.188 tors. eta vs tors. theta energy: -200.021 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: 8 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1969.143658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.143658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.143658 (E_RNA) where: Base-Base interactions energy: -1319.849 where: short stacking energy: -582.419 Base-Backbone interact. energy: -2.043 local terms energy: -647.251200 where: bonds (distance) C4'-P energy: -137.043 bonds (distance) P-C4' energy: -146.070 flat angles C4'-P-C4' energy: -151.751 flat angles P-C4'-P energy: -67.887 tors. eta vs tors. theta energy: -144.501 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: 8, replica: 2 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -1752.631148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.631148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.631148 (E_RNA) where: Base-Base interactions energy: -1133.807 where: short stacking energy: -516.452 Base-Backbone interact. energy: 4.611 local terms energy: -623.434874 where: bonds (distance) C4'-P energy: -142.832 bonds (distance) P-C4' energy: -132.385 flat angles C4'-P-C4' energy: -144.146 flat angles P-C4'-P energy: -92.613 tors. eta vs tors. theta energy: -111.460 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: 1 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -1509.283389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.283389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.283389 (E_RNA) where: Base-Base interactions energy: -958.760 where: short stacking energy: -432.423 Base-Backbone interact. energy: -0.871 local terms energy: -549.652493 where: bonds (distance) C4'-P energy: -116.273 bonds (distance) P-C4' energy: -129.241 flat angles C4'-P-C4' energy: -123.769 flat angles P-C4'-P energy: -94.706 tors. eta vs tors. theta energy: -85.663 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: 3 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -905.423002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.423002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.423002 (E_RNA) where: Base-Base interactions energy: -474.999 where: short stacking energy: -267.568 Base-Backbone interact. energy: 6.701 local terms energy: -437.125239 where: bonds (distance) C4'-P energy: -134.834 bonds (distance) P-C4' energy: -121.999 flat angles C4'-P-C4' energy: -122.563 flat angles P-C4'-P energy: -59.786 tors. eta vs tors. theta energy: 2.057 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: 6 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -2928.586501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.586501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.586501 (E_RNA) where: Base-Base interactions energy: -2046.835 where: short stacking energy: -860.534 Base-Backbone interact. energy: -0.958 local terms energy: -880.793869 where: bonds (distance) C4'-P energy: -143.099 bonds (distance) P-C4' energy: -179.220 flat angles C4'-P-C4' energy: -182.701 flat angles P-C4'-P energy: -132.501 tors. eta vs tors. theta energy: -243.273 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: 2, replica: 10 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -2875.670984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.670984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.670984 (E_RNA) where: Base-Base interactions energy: -2021.087 where: short stacking energy: -828.666 Base-Backbone interact. energy: -10.097 local terms energy: -844.486713 where: bonds (distance) C4'-P energy: -157.895 bonds (distance) P-C4' energy: -160.901 flat angles C4'-P-C4' energy: -185.649 flat angles P-C4'-P energy: -109.182 tors. eta vs tors. theta energy: -230.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2794.122389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.122389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.122389 (E_RNA) where: Base-Base interactions energy: -1930.076 where: short stacking energy: -873.928 Base-Backbone interact. energy: -2.310 local terms energy: -861.736472 where: bonds (distance) C4'-P energy: -147.356 bonds (distance) P-C4' energy: -157.483 flat angles C4'-P-C4' energy: -172.542 flat angles P-C4'-P energy: -119.915 tors. eta vs tors. theta energy: -264.440 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: 9 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -2634.569658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.569658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.569658 (E_RNA) where: Base-Base interactions energy: -1844.264 where: short stacking energy: -770.023 Base-Backbone interact. energy: -4.921 local terms energy: -785.385458 where: bonds (distance) C4'-P energy: -142.428 bonds (distance) P-C4' energy: -152.334 flat angles C4'-P-C4' energy: -170.576 flat angles P-C4'-P energy: -111.510 tors. eta vs tors. theta energy: -208.537 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: 5, replica: 4 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -2556.705530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.705530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.705530 (E_RNA) where: Base-Base interactions energy: -1754.586 where: short stacking energy: -758.644 Base-Backbone interact. energy: -4.309 local terms energy: -797.810710 where: bonds (distance) C4'-P energy: -153.155 bonds (distance) P-C4' energy: -142.245 flat angles C4'-P-C4' energy: -176.336 flat angles P-C4'-P energy: -100.853 tors. eta vs tors. theta energy: -225.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -2404.820035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.820035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.820035 (E_RNA) where: Base-Base interactions energy: -1678.022 where: short stacking energy: -724.448 Base-Backbone interact. energy: -1.223 local terms energy: -725.575738 where: bonds (distance) C4'-P energy: -130.620 bonds (distance) P-C4' energy: -131.429 flat angles C4'-P-C4' energy: -165.605 flat angles P-C4'-P energy: -100.100 tors. eta vs tors. theta energy: -197.822 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: 7, replica: 8 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -2025.477170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.477170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.477170 (E_RNA) where: Base-Base interactions energy: -1338.162 where: short stacking energy: -572.275 Base-Backbone interact. energy: -3.785 local terms energy: -683.530067 where: bonds (distance) C4'-P energy: -146.942 bonds (distance) P-C4' energy: -138.606 flat angles C4'-P-C4' energy: -154.239 flat angles P-C4'-P energy: -104.781 tors. eta vs tors. theta energy: -138.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1783.645944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.645944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.645944 (E_RNA) where: Base-Base interactions energy: -1163.818 where: short stacking energy: -506.369 Base-Backbone interact. energy: -1.253 local terms energy: -618.574822 where: bonds (distance) C4'-P energy: -148.237 bonds (distance) P-C4' energy: -134.067 flat angles C4'-P-C4' energy: -132.939 flat angles P-C4'-P energy: -90.676 tors. eta vs tors. theta energy: -112.656 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: 9, replica: 1 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -1503.642603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.642603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.642603 (E_RNA) where: Base-Base interactions energy: -985.320 where: short stacking energy: -446.070 Base-Backbone interact. energy: -3.767 local terms energy: -514.555726 where: bonds (distance) C4'-P energy: -128.356 bonds (distance) P-C4' energy: -125.550 flat angles C4'-P-C4' energy: -132.667 flat angles P-C4'-P energy: -72.099 tors. eta vs tors. theta energy: -55.883 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: 3 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -890.563527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.563527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.563527 (E_RNA) where: Base-Base interactions energy: -460.424 where: short stacking energy: -242.872 Base-Backbone interact. energy: 0.212 local terms energy: -430.351751 where: bonds (distance) C4'-P energy: -108.105 bonds (distance) P-C4' energy: -138.289 flat angles C4'-P-C4' energy: -111.447 flat angles P-C4'-P energy: -78.709 tors. eta vs tors. theta energy: 6.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -2896.453919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.453919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.453919 (E_RNA) where: Base-Base interactions energy: -2007.813 where: short stacking energy: -836.312 Base-Backbone interact. energy: -1.917 local terms energy: -886.724041 where: bonds (distance) C4'-P energy: -165.887 bonds (distance) P-C4' energy: -173.264 flat angles C4'-P-C4' energy: -190.967 flat angles P-C4'-P energy: -119.764 tors. eta vs tors. theta energy: -236.841 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: 2, replica: 10 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -2861.817285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.817285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.817285 (E_RNA) where: Base-Base interactions energy: -2008.600 where: short stacking energy: -807.366 Base-Backbone interact. energy: -3.050 local terms energy: -850.167184 where: bonds (distance) C4'-P energy: -148.321 bonds (distance) P-C4' energy: -155.798 flat angles C4'-P-C4' energy: -182.752 flat angles P-C4'-P energy: -128.528 tors. eta vs tors. theta energy: -234.768 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: 3, replica: 7 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -2774.656324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.656324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.656324 (E_RNA) where: Base-Base interactions energy: -1925.291 where: short stacking energy: -848.826 Base-Backbone interact. energy: -2.113 local terms energy: -847.251621 where: bonds (distance) C4'-P energy: -136.947 bonds (distance) P-C4' energy: -145.390 flat angles C4'-P-C4' energy: -183.156 flat angles P-C4'-P energy: -123.324 tors. eta vs tors. theta energy: -258.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -2669.529187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.529187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.529187 (E_RNA) where: Base-Base interactions energy: -1859.549 where: short stacking energy: -786.129 Base-Backbone interact. energy: -5.361 local terms energy: -804.619485 where: bonds (distance) C4'-P energy: -151.143 bonds (distance) P-C4' energy: -147.853 flat angles C4'-P-C4' energy: -178.513 flat angles P-C4'-P energy: -115.987 tors. eta vs tors. theta energy: -211.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -2536.982930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.982930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.982930 (E_RNA) where: Base-Base interactions energy: -1744.529 where: short stacking energy: -747.159 Base-Backbone interact. energy: -5.489 local terms energy: -786.964406 where: bonds (distance) C4'-P energy: -140.131 bonds (distance) P-C4' energy: -149.032 flat angles C4'-P-C4' energy: -173.695 flat angles P-C4'-P energy: -107.084 tors. eta vs tors. theta energy: -217.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -2376.567751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.567751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.567751 (E_RNA) where: Base-Base interactions energy: -1656.872 where: short stacking energy: -709.287 Base-Backbone interact. energy: 0.207 local terms energy: -719.902927 where: bonds (distance) C4'-P energy: -134.986 bonds (distance) P-C4' energy: -132.865 flat angles C4'-P-C4' energy: -159.423 flat angles P-C4'-P energy: -91.308 tors. eta vs tors. theta energy: -201.321 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: 7, replica: 8 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -2009.901284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.901284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.901284 (E_RNA) where: Base-Base interactions energy: -1338.502 where: short stacking energy: -594.543 Base-Backbone interact. energy: -3.958 local terms energy: -667.441374 where: bonds (distance) C4'-P energy: -125.910 bonds (distance) P-C4' energy: -141.712 flat angles C4'-P-C4' energy: -152.161 flat angles P-C4'-P energy: -95.974 tors. eta vs tors. theta energy: -151.684 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: 8, replica: 2 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1792.442184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.442184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.442184 (E_RNA) where: Base-Base interactions energy: -1194.952 where: short stacking energy: -546.084 Base-Backbone interact. energy: -2.233 local terms energy: -595.257594 where: bonds (distance) C4'-P energy: -123.440 bonds (distance) P-C4' energy: -130.291 flat angles C4'-P-C4' energy: -121.659 flat angles P-C4'-P energy: -89.960 tors. eta vs tors. theta energy: -129.907 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: 1 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -1507.378383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.378383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.378383 (E_RNA) where: Base-Base interactions energy: -931.155 where: short stacking energy: -416.458 Base-Backbone interact. energy: -2.875 local terms energy: -573.349089 where: bonds (distance) C4'-P energy: -128.614 bonds (distance) P-C4' energy: -150.315 flat angles C4'-P-C4' energy: -132.425 flat angles P-C4'-P energy: -85.872 tors. eta vs tors. theta energy: -76.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -889.394930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.394930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.394930 (E_RNA) where: Base-Base interactions energy: -462.955 where: short stacking energy: -237.950 Base-Backbone interact. energy: 0.071 local terms energy: -426.510387 where: bonds (distance) C4'-P energy: -131.524 bonds (distance) P-C4' energy: -144.144 flat angles C4'-P-C4' energy: -74.006 flat angles P-C4'-P energy: -76.510 tors. eta vs tors. theta energy: -0.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -2962.881659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.881659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.881659 (E_RNA) where: Base-Base interactions energy: -2042.326 where: short stacking energy: -863.121 Base-Backbone interact. energy: -3.457 local terms energy: -917.098265 where: bonds (distance) C4'-P energy: -169.529 bonds (distance) P-C4' energy: -163.869 flat angles C4'-P-C4' energy: -195.011 flat angles P-C4'-P energy: -135.878 tors. eta vs tors. theta energy: -252.812 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: 10 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -2845.419616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.419616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.419616 (E_RNA) where: Base-Base interactions energy: -1979.939 where: short stacking energy: -842.424 Base-Backbone interact. energy: -6.196 local terms energy: -859.283950 where: bonds (distance) C4'-P energy: -159.938 bonds (distance) P-C4' energy: -167.375 flat angles C4'-P-C4' energy: -187.292 flat angles P-C4'-P energy: -119.807 tors. eta vs tors. theta energy: -224.871 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: 7 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -2811.500299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.500299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.500299 (E_RNA) where: Base-Base interactions energy: -1959.629 where: short stacking energy: -862.171 Base-Backbone interact. energy: 0.842 local terms energy: -852.713066 where: bonds (distance) C4'-P energy: -150.915 bonds (distance) P-C4' energy: -148.007 flat angles C4'-P-C4' energy: -169.543 flat angles P-C4'-P energy: -120.093 tors. eta vs tors. theta energy: -264.155 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: 4, replica: 9 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -2623.573222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.573222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.573222 (E_RNA) where: Base-Base interactions energy: -1837.087 where: short stacking energy: -781.071 Base-Backbone interact. energy: -3.169 local terms energy: -783.317819 where: bonds (distance) C4'-P energy: -152.259 bonds (distance) P-C4' energy: -146.376 flat angles C4'-P-C4' energy: -174.158 flat angles P-C4'-P energy: -103.636 tors. eta vs tors. theta energy: -206.889 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: 4 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -2548.720787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.720787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.720787 (E_RNA) where: Base-Base interactions energy: -1738.532 where: short stacking energy: -756.380 Base-Backbone interact. energy: 2.746 local terms energy: -812.934999 where: bonds (distance) C4'-P energy: -149.183 bonds (distance) P-C4' energy: -152.809 flat angles C4'-P-C4' energy: -178.742 flat angles P-C4'-P energy: -104.511 tors. eta vs tors. theta energy: -227.689 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: 6, replica: 5 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -2381.560784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.560784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.560784 (E_RNA) where: Base-Base interactions energy: -1631.567 where: short stacking energy: -714.714 Base-Backbone interact. energy: -0.413 local terms energy: -749.580321 where: bonds (distance) C4'-P energy: -132.569 bonds (distance) P-C4' energy: -140.077 flat angles C4'-P-C4' energy: -163.397 flat angles P-C4'-P energy: -113.880 tors. eta vs tors. theta energy: -199.658 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: 7, replica: 8 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -2045.642809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.642809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.642809 (E_RNA) where: Base-Base interactions energy: -1409.438 where: short stacking energy: -596.112 Base-Backbone interact. energy: -1.692 local terms energy: -634.512364 where: bonds (distance) C4'-P energy: -126.953 bonds (distance) P-C4' energy: -130.288 flat angles C4'-P-C4' energy: -155.894 flat angles P-C4'-P energy: -73.990 tors. eta vs tors. theta energy: -147.388 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: 8, replica: 2 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1814.637349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.637349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.637349 (E_RNA) where: Base-Base interactions energy: -1224.671 where: short stacking energy: -561.652 Base-Backbone interact. energy: -0.219 local terms energy: -589.746995 where: bonds (distance) C4'-P energy: -126.753 bonds (distance) P-C4' energy: -123.563 flat angles C4'-P-C4' energy: -136.431 flat angles P-C4'-P energy: -74.546 tors. eta vs tors. theta energy: -128.454 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: 1 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -1505.409072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.409072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.409072 (E_RNA) where: Base-Base interactions energy: -989.654 where: short stacking energy: -452.566 Base-Backbone interact. energy: 0.651 local terms energy: -516.406577 where: bonds (distance) C4'-P energy: -103.371 bonds (distance) P-C4' energy: -138.026 flat angles C4'-P-C4' energy: -120.999 flat angles P-C4'-P energy: -81.994 tors. eta vs tors. theta energy: -72.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -885.387535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.387535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.387535 (E_RNA) where: Base-Base interactions energy: -461.021 where: short stacking energy: -260.994 Base-Backbone interact. energy: 1.385 local terms energy: -425.750938 where: bonds (distance) C4'-P energy: -136.069 bonds (distance) P-C4' energy: -128.448 flat angles C4'-P-C4' energy: -105.039 flat angles P-C4'-P energy: -78.450 tors. eta vs tors. theta energy: 22.256 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: 6 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -2960.533826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.533826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.533826 (E_RNA) where: Base-Base interactions energy: -2090.745 where: short stacking energy: -875.315 Base-Backbone interact. energy: -5.019 local terms energy: -864.770453 where: bonds (distance) C4'-P energy: -154.872 bonds (distance) P-C4' energy: -160.232 flat angles C4'-P-C4' energy: -177.828 flat angles P-C4'-P energy: -121.519 tors. eta vs tors. theta energy: -250.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -2873.399665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.399665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.399665 (E_RNA) where: Base-Base interactions energy: -1992.459 where: short stacking energy: -850.432 Base-Backbone interact. energy: -6.419 local terms energy: -874.520853 where: bonds (distance) C4'-P energy: -172.514 bonds (distance) P-C4' energy: -167.221 flat angles C4'-P-C4' energy: -174.144 flat angles P-C4'-P energy: -127.193 tors. eta vs tors. theta energy: -233.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -2825.612945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.612945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.612945 (E_RNA) where: Base-Base interactions energy: -1968.477 where: short stacking energy: -862.837 Base-Backbone interact. energy: 0.365 local terms energy: -857.500855 where: bonds (distance) C4'-P energy: -149.458 bonds (distance) P-C4' energy: -144.259 flat angles C4'-P-C4' energy: -189.844 flat angles P-C4'-P energy: -108.958 tors. eta vs tors. theta energy: -264.981 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: 4, replica: 9 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -2650.535915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.535915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.535915 (E_RNA) where: Base-Base interactions energy: -1850.658 where: short stacking energy: -775.522 Base-Backbone interact. energy: -6.204 local terms energy: -793.673490 where: bonds (distance) C4'-P energy: -152.210 bonds (distance) P-C4' energy: -154.608 flat angles C4'-P-C4' energy: -170.236 flat angles P-C4'-P energy: -104.872 tors. eta vs tors. theta energy: -211.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -2585.585133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.585133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.585133 (E_RNA) where: Base-Base interactions energy: -1792.802 where: short stacking energy: -786.675 Base-Backbone interact. energy: -3.626 local terms energy: -789.157402 where: bonds (distance) C4'-P energy: -141.681 bonds (distance) P-C4' energy: -155.761 flat angles C4'-P-C4' energy: -161.375 flat angles P-C4'-P energy: -102.069 tors. eta vs tors. theta energy: -228.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -2391.046668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.046668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.046668 (E_RNA) where: Base-Base interactions energy: -1673.594 where: short stacking energy: -721.769 Base-Backbone interact. energy: -1.335 local terms energy: -716.117458 where: bonds (distance) C4'-P energy: -124.755 bonds (distance) P-C4' energy: -130.902 flat angles C4'-P-C4' energy: -161.185 flat angles P-C4'-P energy: -93.715 tors. eta vs tors. theta energy: -205.560 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: 8 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -2010.431129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.431129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.431129 (E_RNA) where: Base-Base interactions energy: -1336.808 where: short stacking energy: -571.907 Base-Backbone interact. energy: -3.482 local terms energy: -670.141303 where: bonds (distance) C4'-P energy: -146.316 bonds (distance) P-C4' energy: -144.177 flat angles C4'-P-C4' energy: -150.088 flat angles P-C4'-P energy: -90.309 tors. eta vs tors. theta energy: -139.250 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: 8, replica: 2 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1730.789681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.789681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.789681 (E_RNA) where: Base-Base interactions energy: -1123.867 where: short stacking energy: -476.939 Base-Backbone interact. energy: 4.933 local terms energy: -611.856391 where: bonds (distance) C4'-P energy: -146.152 bonds (distance) P-C4' energy: -132.544 flat angles C4'-P-C4' energy: -151.538 flat angles P-C4'-P energy: -69.631 tors. eta vs tors. theta energy: -111.991 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: 1 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -1447.592208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.592208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.592208 (E_RNA) where: Base-Base interactions energy: -913.678 where: short stacking energy: -427.545 Base-Backbone interact. energy: 6.702 local terms energy: -540.616781 where: bonds (distance) C4'-P energy: -122.148 bonds (distance) P-C4' energy: -122.669 flat angles C4'-P-C4' energy: -140.314 flat angles P-C4'-P energy: -78.565 tors. eta vs tors. theta energy: -76.921 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: 3 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -931.662029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.662029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.662029 (E_RNA) where: Base-Base interactions energy: -522.872 where: short stacking energy: -327.252 Base-Backbone interact. energy: 0.152 local terms energy: -408.941834 where: bonds (distance) C4'-P energy: -120.258 bonds (distance) P-C4' energy: -111.826 flat angles C4'-P-C4' energy: -110.606 flat angles P-C4'-P energy: -64.304 tors. eta vs tors. theta energy: -1.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -2957.798553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.798553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.798553 (E_RNA) where: Base-Base interactions energy: -2055.744 where: short stacking energy: -854.823 Base-Backbone interact. energy: -5.770 local terms energy: -896.284705 where: bonds (distance) C4'-P energy: -159.262 bonds (distance) P-C4' energy: -174.977 flat angles C4'-P-C4' energy: -187.151 flat angles P-C4'-P energy: -119.511 tors. eta vs tors. theta energy: -255.383 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: 10 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -2845.276463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.276463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.276463 (E_RNA) where: Base-Base interactions energy: -2004.588 where: short stacking energy: -836.941 Base-Backbone interact. energy: -7.429 local terms energy: -833.258903 where: bonds (distance) C4'-P energy: -150.233 bonds (distance) P-C4' energy: -156.549 flat angles C4'-P-C4' energy: -176.431 flat angles P-C4'-P energy: -117.243 tors. eta vs tors. theta energy: -232.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -2819.753118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.753118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.753118 (E_RNA) where: Base-Base interactions energy: -1927.324 where: short stacking energy: -868.217 Base-Backbone interact. energy: 2.033 local terms energy: -894.461652 where: bonds (distance) C4'-P energy: -144.629 bonds (distance) P-C4' energy: -177.306 flat angles C4'-P-C4' energy: -183.052 flat angles P-C4'-P energy: -129.706 tors. eta vs tors. theta energy: -259.768 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: 9 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -2659.806794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.806794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.806794 (E_RNA) where: Base-Base interactions energy: -1851.694 where: short stacking energy: -778.436 Base-Backbone interact. energy: -2.048 local terms energy: -806.064370 where: bonds (distance) C4'-P energy: -142.873 bonds (distance) P-C4' energy: -146.749 flat angles C4'-P-C4' energy: -175.380 flat angles P-C4'-P energy: -122.833 tors. eta vs tors. theta energy: -218.230 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: 412 Temperature: 1.100000 Total energy: -2615.588122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.588122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.588122 (E_RNA) where: Base-Base interactions energy: -1793.594 where: short stacking energy: -754.648 Base-Backbone interact. energy: -2.701 local terms energy: -819.293356 where: bonds (distance) C4'-P energy: -138.559 bonds (distance) P-C4' energy: -162.510 flat angles C4'-P-C4' energy: -185.700 flat angles P-C4'-P energy: -110.017 tors. eta vs tors. theta energy: -222.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -2363.859261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.859261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.859261 (E_RNA) where: Base-Base interactions energy: -1621.454 where: short stacking energy: -689.156 Base-Backbone interact. energy: -0.846 local terms energy: -741.558909 where: bonds (distance) C4'-P energy: -126.588 bonds (distance) P-C4' energy: -136.902 flat angles C4'-P-C4' energy: -162.676 flat angles P-C4'-P energy: -112.779 tors. eta vs tors. theta energy: -202.614 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: 8 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1959.668876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.668876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.668876 (E_RNA) where: Base-Base interactions energy: -1376.483 where: short stacking energy: -544.252 Base-Backbone interact. energy: -6.202 local terms energy: -576.983594 where: bonds (distance) C4'-P energy: -116.542 bonds (distance) P-C4' energy: -130.174 flat angles C4'-P-C4' energy: -142.773 flat angles P-C4'-P energy: -82.174 tors. eta vs tors. theta energy: -105.320 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: 2 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1697.323720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.323720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.323720 (E_RNA) where: Base-Base interactions energy: -1109.631 where: short stacking energy: -519.476 Base-Backbone interact. energy: -2.754 local terms energy: -584.938905 where: bonds (distance) C4'-P energy: -136.240 bonds (distance) P-C4' energy: -138.643 flat angles C4'-P-C4' energy: -131.803 flat angles P-C4'-P energy: -72.184 tors. eta vs tors. theta energy: -106.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -1396.347554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.347554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.347554 (E_RNA) where: Base-Base interactions energy: -834.079 where: short stacking energy: -404.563 Base-Backbone interact. energy: -4.044 local terms energy: -558.224078 where: bonds (distance) C4'-P energy: -125.317 bonds (distance) P-C4' energy: -144.809 flat angles C4'-P-C4' energy: -130.181 flat angles P-C4'-P energy: -101.289 tors. eta vs tors. theta energy: -56.628 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: 10, replica: 3 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -944.900375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.900375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.900375 (E_RNA) where: Base-Base interactions energy: -500.562 where: short stacking energy: -260.544 Base-Backbone interact. energy: -1.645 local terms energy: -442.693447 where: bonds (distance) C4'-P energy: -137.440 bonds (distance) P-C4' energy: -138.393 flat angles C4'-P-C4' energy: -113.185 flat angles P-C4'-P energy: -68.217 tors. eta vs tors. theta energy: 14.542 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: 6 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -2961.269819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.269819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.269819 (E_RNA) where: Base-Base interactions energy: -2072.787 where: short stacking energy: -875.380 Base-Backbone interact. energy: -5.807 local terms energy: -882.676295 where: bonds (distance) C4'-P energy: -153.845 bonds (distance) P-C4' energy: -170.756 flat angles C4'-P-C4' energy: -190.545 flat angles P-C4'-P energy: -124.018 tors. eta vs tors. theta energy: -243.512 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: 2, replica: 7 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -2858.974086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.974086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.974086 (E_RNA) where: Base-Base interactions energy: -1958.701 where: short stacking energy: -864.334 Base-Backbone interact. energy: -3.715 local terms energy: -896.558310 where: bonds (distance) C4'-P energy: -164.630 bonds (distance) P-C4' energy: -169.673 flat angles C4'-P-C4' energy: -187.499 flat angles P-C4'-P energy: -123.674 tors. eta vs tors. theta energy: -251.082 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: 10 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -2778.815258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.815258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.815258 (E_RNA) where: Base-Base interactions energy: -1981.315 where: short stacking energy: -816.959 Base-Backbone interact. energy: -3.443 local terms energy: -794.056490 where: bonds (distance) C4'-P energy: -135.832 bonds (distance) P-C4' energy: -146.470 flat angles C4'-P-C4' energy: -179.983 flat angles P-C4'-P energy: -107.480 tors. eta vs tors. theta energy: -224.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -2652.525911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.525911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.525911 (E_RNA) where: Base-Base interactions energy: -1833.084 where: short stacking energy: -778.274 Base-Backbone interact. energy: -4.553 local terms energy: -814.889442 where: bonds (distance) C4'-P energy: -166.796 bonds (distance) P-C4' energy: -152.788 flat angles C4'-P-C4' energy: -173.822 flat angles P-C4'-P energy: -105.740 tors. eta vs tors. theta energy: -215.744 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: 5, replica: 4 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -2554.491969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.491969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.491969 (E_RNA) where: Base-Base interactions energy: -1778.433 where: short stacking energy: -764.530 Base-Backbone interact. energy: 2.897 local terms energy: -778.955643 where: bonds (distance) C4'-P energy: -138.025 bonds (distance) P-C4' energy: -146.529 flat angles C4'-P-C4' energy: -167.061 flat angles P-C4'-P energy: -104.428 tors. eta vs tors. theta energy: -222.912 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: 6, replica: 5 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -2366.028899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.028899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.028899 (E_RNA) where: Base-Base interactions energy: -1610.705 where: short stacking energy: -677.121 Base-Backbone interact. energy: -2.859 local terms energy: -752.464799 where: bonds (distance) C4'-P energy: -140.301 bonds (distance) P-C4' energy: -143.997 flat angles C4'-P-C4' energy: -170.510 flat angles P-C4'-P energy: -102.087 tors. eta vs tors. theta energy: -195.571 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: 8 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1901.048590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.048590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.048590 (E_RNA) where: Base-Base interactions energy: -1240.646 where: short stacking energy: -528.555 Base-Backbone interact. energy: -1.749 local terms energy: -658.654242 where: bonds (distance) C4'-P energy: -134.204 bonds (distance) P-C4' energy: -158.913 flat angles C4'-P-C4' energy: -142.493 flat angles P-C4'-P energy: -97.221 tors. eta vs tors. theta energy: -125.823 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: 8, replica: 2 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1643.413280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.413280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.413280 (E_RNA) where: Base-Base interactions energy: -1069.515 where: short stacking energy: -510.423 Base-Backbone interact. energy: 0.046 local terms energy: -573.943953 where: bonds (distance) C4'-P energy: -102.517 bonds (distance) P-C4' energy: -148.554 flat angles C4'-P-C4' energy: -128.678 flat angles P-C4'-P energy: -92.552 tors. eta vs tors. theta energy: -101.644 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: 9, replica: 1 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -1320.323906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.323906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.323906 (E_RNA) where: Base-Base interactions energy: -852.937 where: short stacking energy: -410.548 Base-Backbone interact. energy: 3.172 local terms energy: -470.558336 where: bonds (distance) C4'-P energy: -136.837 bonds (distance) P-C4' energy: -127.686 flat angles C4'-P-C4' energy: -101.282 flat angles P-C4'-P energy: -64.326 tors. eta vs tors. theta energy: -40.426 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: 3 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -974.119215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.119215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.119215 (E_RNA) where: Base-Base interactions energy: -507.824 where: short stacking energy: -267.661 Base-Backbone interact. energy: -1.692 local terms energy: -464.603145 where: bonds (distance) C4'-P energy: -127.373 bonds (distance) P-C4' energy: -131.498 flat angles C4'-P-C4' energy: -97.362 flat angles P-C4'-P energy: -87.487 tors. eta vs tors. theta energy: -20.884 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: 1, replica: 6 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -2939.788259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.788259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.788259 (E_RNA) where: Base-Base interactions energy: -2069.673 where: short stacking energy: -866.397 Base-Backbone interact. energy: -3.616 local terms energy: -866.498934 where: bonds (distance) C4'-P energy: -156.875 bonds (distance) P-C4' energy: -149.690 flat angles C4'-P-C4' energy: -179.495 flat angles P-C4'-P energy: -134.690 tors. eta vs tors. theta energy: -245.749 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: 2, replica: 7 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -2853.012847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.012847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.012847 (E_RNA) where: Base-Base interactions energy: -1974.420 where: short stacking energy: -877.604 Base-Backbone interact. energy: -3.043 local terms energy: -875.549188 where: bonds (distance) C4'-P energy: -145.695 bonds (distance) P-C4' energy: -159.926 flat angles C4'-P-C4' energy: -185.638 flat angles P-C4'-P energy: -118.426 tors. eta vs tors. theta energy: -265.865 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: 3, replica: 10 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -2749.882675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.882675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.882675 (E_RNA) where: Base-Base interactions energy: -1920.242 where: short stacking energy: -811.546 Base-Backbone interact. energy: -3.684 local terms energy: -825.956972 where: bonds (distance) C4'-P energy: -140.960 bonds (distance) P-C4' energy: -164.612 flat angles C4'-P-C4' energy: -171.299 flat angles P-C4'-P energy: -113.284 tors. eta vs tors. theta energy: -235.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -2657.740406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.740406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.740406 (E_RNA) where: Base-Base interactions energy: -1883.129 where: short stacking energy: -775.376 Base-Backbone interact. energy: -5.304 local terms energy: -769.307453 where: bonds (distance) C4'-P energy: -126.311 bonds (distance) P-C4' energy: -143.241 flat angles C4'-P-C4' energy: -175.604 flat angles P-C4'-P energy: -110.288 tors. eta vs tors. theta energy: -213.863 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: 5, replica: 4 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -2590.558966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.558966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.558966 (E_RNA) where: Base-Base interactions energy: -1778.361 where: short stacking energy: -774.873 Base-Backbone interact. energy: -1.264 local terms energy: -810.934062 where: bonds (distance) C4'-P energy: -148.815 bonds (distance) P-C4' energy: -152.082 flat angles C4'-P-C4' energy: -171.670 flat angles P-C4'-P energy: -105.905 tors. eta vs tors. theta energy: -232.462 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: 5 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -2349.735457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.735457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.735457 (E_RNA) where: Base-Base interactions energy: -1615.164 where: short stacking energy: -710.020 Base-Backbone interact. energy: -1.797 local terms energy: -732.774282 where: bonds (distance) C4'-P energy: -126.167 bonds (distance) P-C4' energy: -147.408 flat angles C4'-P-C4' energy: -159.117 flat angles P-C4'-P energy: -84.273 tors. eta vs tors. theta energy: -215.808 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: 8 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1991.263888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.263888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.263888 (E_RNA) where: Base-Base interactions energy: -1315.042 where: short stacking energy: -573.764 Base-Backbone interact. energy: 3.436 local terms energy: -679.658625 where: bonds (distance) C4'-P energy: -122.449 bonds (distance) P-C4' energy: -143.099 flat angles C4'-P-C4' energy: -154.589 flat angles P-C4'-P energy: -108.245 tors. eta vs tors. theta energy: -151.276 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: 8, replica: 2 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1616.423595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.423595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.423595 (E_RNA) where: Base-Base interactions energy: -1021.248 where: short stacking energy: -491.368 Base-Backbone interact. energy: -4.299 local terms energy: -590.876706 where: bonds (distance) C4'-P energy: -142.382 bonds (distance) P-C4' energy: -121.687 flat angles C4'-P-C4' energy: -134.179 flat angles P-C4'-P energy: -86.492 tors. eta vs tors. theta energy: -106.138 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: 1 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -1420.540196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.540196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.540196 (E_RNA) where: Base-Base interactions energy: -900.676 where: short stacking energy: -444.519 Base-Backbone interact. energy: 3.701 local terms energy: -523.565789 where: bonds (distance) C4'-P energy: -121.318 bonds (distance) P-C4' energy: -114.348 flat angles C4'-P-C4' energy: -137.548 flat angles P-C4'-P energy: -82.210 tors. eta vs tors. theta energy: -68.143 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: 10, replica: 3 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -977.815175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.815175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.815175 (E_RNA) where: Base-Base interactions energy: -545.837 where: short stacking energy: -290.242 Base-Backbone interact. energy: -1.289 local terms energy: -430.689703 where: bonds (distance) C4'-P energy: -103.701 bonds (distance) P-C4' energy: -137.412 flat angles C4'-P-C4' energy: -91.742 flat angles P-C4'-P energy: -68.829 tors. eta vs tors. theta energy: -29.006 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: 6 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -2952.090348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.090348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.090348 (E_RNA) where: Base-Base interactions energy: -2055.385 where: short stacking energy: -855.920 Base-Backbone interact. energy: -6.228 local terms energy: -890.477755 where: bonds (distance) C4'-P energy: -163.235 bonds (distance) P-C4' energy: -167.171 flat angles C4'-P-C4' energy: -189.279 flat angles P-C4'-P energy: -133.363 tors. eta vs tors. theta energy: -237.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -2846.545497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.545497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.545497 (E_RNA) where: Base-Base interactions energy: -1958.879 where: short stacking energy: -860.431 Base-Backbone interact. energy: -3.698 local terms energy: -883.968032 where: bonds (distance) C4'-P energy: -155.002 bonds (distance) P-C4' energy: -173.561 flat angles C4'-P-C4' energy: -185.372 flat angles P-C4'-P energy: -120.675 tors. eta vs tors. theta energy: -249.358 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: 10 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -2759.517396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.517396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.517396 (E_RNA) where: Base-Base interactions energy: -1920.406 where: short stacking energy: -831.276 Base-Backbone interact. energy: -1.585 local terms energy: -837.526291 where: bonds (distance) C4'-P energy: -159.026 bonds (distance) P-C4' energy: -153.472 flat angles C4'-P-C4' energy: -176.424 flat angles P-C4'-P energy: -120.090 tors. eta vs tors. theta energy: -228.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -2649.528153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.528153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.528153 (E_RNA) where: Base-Base interactions energy: -1836.707 where: short stacking energy: -788.034 Base-Backbone interact. energy: -1.944 local terms energy: -810.876625 where: bonds (distance) C4'-P energy: -143.825 bonds (distance) P-C4' energy: -156.019 flat angles C4'-P-C4' energy: -176.815 flat angles P-C4'-P energy: -117.153 tors. eta vs tors. theta energy: -217.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -2612.352844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.352844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.352844 (E_RNA) where: Base-Base interactions energy: -1793.060 where: short stacking energy: -764.621 Base-Backbone interact. energy: -3.375 local terms energy: -815.917628 where: bonds (distance) C4'-P energy: -138.318 bonds (distance) P-C4' energy: -160.290 flat angles C4'-P-C4' energy: -177.458 flat angles P-C4'-P energy: -109.994 tors. eta vs tors. theta energy: -229.858 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: 5 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -2381.425493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.425493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.425493 (E_RNA) where: Base-Base interactions energy: -1669.441 where: short stacking energy: -705.212 Base-Backbone interact. energy: -3.970 local terms energy: -708.014606 where: bonds (distance) C4'-P energy: -145.395 bonds (distance) P-C4' energy: -134.788 flat angles C4'-P-C4' energy: -159.557 flat angles P-C4'-P energy: -72.553 tors. eta vs tors. theta energy: -195.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -2074.577625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.577625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.577625 (E_RNA) where: Base-Base interactions energy: -1426.460 where: short stacking energy: -611.024 Base-Backbone interact. energy: -2.741 local terms energy: -645.376647 where: bonds (distance) C4'-P energy: -137.574 bonds (distance) P-C4' energy: -111.137 flat angles C4'-P-C4' energy: -151.979 flat angles P-C4'-P energy: -101.085 tors. eta vs tors. theta energy: -143.602 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: 8, replica: 2 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1618.630846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.630846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.630846 (E_RNA) where: Base-Base interactions energy: -1063.873 where: short stacking energy: -479.017 Base-Backbone interact. energy: 11.632 local terms energy: -566.389821 where: bonds (distance) C4'-P energy: -115.771 bonds (distance) P-C4' energy: -130.825 flat angles C4'-P-C4' energy: -141.136 flat angles P-C4'-P energy: -88.818 tors. eta vs tors. theta energy: -89.840 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: 9, replica: 1 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -1508.798457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.798457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.798457 (E_RNA) where: Base-Base interactions energy: -972.509 where: short stacking energy: -458.970 Base-Backbone interact. energy: 7.142 local terms energy: -543.431598 where: bonds (distance) C4'-P energy: -108.911 bonds (distance) P-C4' energy: -120.869 flat angles C4'-P-C4' energy: -146.514 flat angles P-C4'-P energy: -83.668 tors. eta vs tors. theta energy: -83.469 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: 10, replica: 3 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -991.207630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.207630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.207630 (E_RNA) where: Base-Base interactions energy: -528.276 where: short stacking energy: -297.274 Base-Backbone interact. energy: 0.568 local terms energy: -463.499723 where: bonds (distance) C4'-P energy: -120.983 bonds (distance) P-C4' energy: -135.347 flat angles C4'-P-C4' energy: -117.370 flat angles P-C4'-P energy: -72.263 tors. eta vs tors. theta energy: -17.536 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: 6 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -2957.698226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.698226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.698226 (E_RNA) where: Base-Base interactions energy: -2061.537 where: short stacking energy: -855.656 Base-Backbone interact. energy: -3.628 local terms energy: -892.532603 where: bonds (distance) C4'-P energy: -167.460 bonds (distance) P-C4' energy: -160.590 flat angles C4'-P-C4' energy: -188.527 flat angles P-C4'-P energy: -127.272 tors. eta vs tors. theta energy: -248.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -2841.315608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.315608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.315608 (E_RNA) where: Base-Base interactions energy: -1932.063 where: short stacking energy: -859.604 Base-Backbone interact. energy: -2.060 local terms energy: -907.192053 where: bonds (distance) C4'-P energy: -164.987 bonds (distance) P-C4' energy: -171.652 flat angles C4'-P-C4' energy: -190.341 flat angles P-C4'-P energy: -125.321 tors. eta vs tors. theta energy: -254.891 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: 10 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -2789.955476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.955476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.955476 (E_RNA) where: Base-Base interactions energy: -1964.971 where: short stacking energy: -837.902 Base-Backbone interact. energy: -2.864 local terms energy: -822.120048 where: bonds (distance) C4'-P energy: -142.153 bonds (distance) P-C4' energy: -152.736 flat angles C4'-P-C4' energy: -176.530 flat angles P-C4'-P energy: -115.075 tors. eta vs tors. theta energy: -235.626 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: 9 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -2642.917343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.917343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.917343 (E_RNA) where: Base-Base interactions energy: -1842.320 where: short stacking energy: -764.528 Base-Backbone interact. energy: -4.220 local terms energy: -796.377222 where: bonds (distance) C4'-P energy: -153.683 bonds (distance) P-C4' energy: -151.786 flat angles C4'-P-C4' energy: -179.098 flat angles P-C4'-P energy: -112.003 tors. eta vs tors. theta energy: -199.808 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: 5, replica: 4 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -2613.951431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.951431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.951431 (E_RNA) where: Base-Base interactions energy: -1827.816 where: short stacking energy: -800.616 Base-Backbone interact. energy: -0.738 local terms energy: -785.397464 where: bonds (distance) C4'-P energy: -154.927 bonds (distance) P-C4' energy: -129.112 flat angles C4'-P-C4' energy: -164.683 flat angles P-C4'-P energy: -106.252 tors. eta vs tors. theta energy: -230.423 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: 5 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -2364.026182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.026182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.026182 (E_RNA) where: Base-Base interactions energy: -1670.865 where: short stacking energy: -716.811 Base-Backbone interact. energy: -0.198 local terms energy: -692.962889 where: bonds (distance) C4'-P energy: -122.350 bonds (distance) P-C4' energy: -121.598 flat angles C4'-P-C4' energy: -152.030 flat angles P-C4'-P energy: -102.181 tors. eta vs tors. theta energy: -194.803 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: 8 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -2003.911961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.911961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.911961 (E_RNA) where: Base-Base interactions energy: -1359.167 where: short stacking energy: -589.354 Base-Backbone interact. energy: 2.471 local terms energy: -647.216157 where: bonds (distance) C4'-P energy: -126.064 bonds (distance) P-C4' energy: -127.991 flat angles C4'-P-C4' energy: -148.494 flat angles P-C4'-P energy: -98.594 tors. eta vs tors. theta energy: -146.074 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: 8, replica: 2 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1615.050582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.050582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.050582 (E_RNA) where: Base-Base interactions energy: -1046.105 where: short stacking energy: -489.485 Base-Backbone interact. energy: -0.442 local terms energy: -568.503584 where: bonds (distance) C4'-P energy: -126.662 bonds (distance) P-C4' energy: -110.951 flat angles C4'-P-C4' energy: -136.937 flat angles P-C4'-P energy: -92.180 tors. eta vs tors. theta energy: -101.773 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: 9, replica: 1 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -1499.805536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.805536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.805536 (E_RNA) where: Base-Base interactions energy: -953.480 where: short stacking energy: -427.556 Base-Backbone interact. energy: 3.363 local terms energy: -549.687846 where: bonds (distance) C4'-P energy: -119.479 bonds (distance) P-C4' energy: -125.303 flat angles C4'-P-C4' energy: -135.723 flat angles P-C4'-P energy: -94.404 tors. eta vs tors. theta energy: -74.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -1031.761450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.761450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.761450 (E_RNA) where: Base-Base interactions energy: -586.984 where: short stacking energy: -306.584 Base-Backbone interact. energy: 7.281 local terms energy: -452.058387 where: bonds (distance) C4'-P energy: -144.591 bonds (distance) P-C4' energy: -135.677 flat angles C4'-P-C4' energy: -106.094 flat angles P-C4'-P energy: -36.121 tors. eta vs tors. theta energy: -29.576 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: 1, replica: 6 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -2957.861580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.861580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.861580 (E_RNA) where: Base-Base interactions energy: -2095.339 where: short stacking energy: -873.092 Base-Backbone interact. energy: -0.100 local terms energy: -862.423443 where: bonds (distance) C4'-P energy: -147.853 bonds (distance) P-C4' energy: -167.677 flat angles C4'-P-C4' energy: -175.652 flat angles P-C4'-P energy: -124.260 tors. eta vs tors. theta energy: -246.980 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: 7 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -2871.726678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.726678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.726678 (E_RNA) where: Base-Base interactions energy: -2003.794 where: short stacking energy: -906.208 Base-Backbone interact. energy: 0.110 local terms energy: -868.042551 where: bonds (distance) C4'-P energy: -131.868 bonds (distance) P-C4' energy: -155.341 flat angles C4'-P-C4' energy: -192.307 flat angles P-C4'-P energy: -120.719 tors. eta vs tors. theta energy: -267.808 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: 10 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -2808.918279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.918279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.918279 (E_RNA) where: Base-Base interactions energy: -1974.247 where: short stacking energy: -821.504 Base-Backbone interact. energy: 1.471 local terms energy: -836.142482 where: bonds (distance) C4'-P energy: -138.995 bonds (distance) P-C4' energy: -175.383 flat angles C4'-P-C4' energy: -168.018 flat angles P-C4'-P energy: -134.273 tors. eta vs tors. theta energy: -219.474 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: 4 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -2692.863253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.863253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.863253 (E_RNA) where: Base-Base interactions energy: -1848.609 where: short stacking energy: -817.629 Base-Backbone interact. energy: -3.372 local terms energy: -840.881680 where: bonds (distance) C4'-P energy: -149.104 bonds (distance) P-C4' energy: -149.589 flat angles C4'-P-C4' energy: -178.028 flat angles P-C4'-P energy: -116.735 tors. eta vs tors. theta energy: -247.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -2523.788441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.788441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.788441 (E_RNA) where: Base-Base interactions energy: -1788.262 where: short stacking energy: -738.363 Base-Backbone interact. energy: -2.069 local terms energy: -733.457511 where: bonds (distance) C4'-P energy: -125.028 bonds (distance) P-C4' energy: -145.581 flat angles C4'-P-C4' energy: -156.441 flat angles P-C4'-P energy: -105.381 tors. eta vs tors. theta energy: -201.026 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: 6, replica: 5 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -2346.487680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.487680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.487680 (E_RNA) where: Base-Base interactions energy: -1613.144 where: short stacking energy: -693.660 Base-Backbone interact. energy: 1.927 local terms energy: -735.271048 where: bonds (distance) C4'-P energy: -148.154 bonds (distance) P-C4' energy: -128.401 flat angles C4'-P-C4' energy: -162.070 flat angles P-C4'-P energy: -90.942 tors. eta vs tors. theta energy: -205.705 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: 7, replica: 8 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -2036.195401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.195401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.195401 (E_RNA) where: Base-Base interactions energy: -1349.374 where: short stacking energy: -584.070 Base-Backbone interact. energy: -3.372 local terms energy: -683.449231 where: bonds (distance) C4'-P energy: -144.588 bonds (distance) P-C4' energy: -133.040 flat angles C4'-P-C4' energy: -148.882 flat angles P-C4'-P energy: -105.601 tors. eta vs tors. theta energy: -151.339 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: 2 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1576.045012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.045012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.045012 (E_RNA) where: Base-Base interactions energy: -1018.968 where: short stacking energy: -480.430 Base-Backbone interact. energy: -3.533 local terms energy: -553.543887 where: bonds (distance) C4'-P energy: -123.804 bonds (distance) P-C4' energy: -130.323 flat angles C4'-P-C4' energy: -129.308 flat angles P-C4'-P energy: -96.102 tors. eta vs tors. theta energy: -74.007 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: 1 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -1501.141521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.141521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.141521 (E_RNA) where: Base-Base interactions energy: -970.808 where: short stacking energy: -449.844 Base-Backbone interact. energy: -0.708 local terms energy: -529.625321 where: bonds (distance) C4'-P energy: -119.573 bonds (distance) P-C4' energy: -132.698 flat angles C4'-P-C4' energy: -100.404 flat angles P-C4'-P energy: -91.145 tors. eta vs tors. theta energy: -85.806 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: 3 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -999.949864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.949864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.949864 (E_RNA) where: Base-Base interactions energy: -544.504 where: short stacking energy: -278.416 Base-Backbone interact. energy: 2.655 local terms energy: -458.100033 where: bonds (distance) C4'-P energy: -128.845 bonds (distance) P-C4' energy: -140.339 flat angles C4'-P-C4' energy: -119.126 flat angles P-C4'-P energy: -64.066 tors. eta vs tors. theta energy: -5.724 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: 6 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -2943.798411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.798411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.798411 (E_RNA) where: Base-Base interactions energy: -2050.664 where: short stacking energy: -850.991 Base-Backbone interact. energy: 1.792 local terms energy: -894.926703 where: bonds (distance) C4'-P energy: -172.882 bonds (distance) P-C4' energy: -165.794 flat angles C4'-P-C4' energy: -178.667 flat angles P-C4'-P energy: -131.025 tors. eta vs tors. theta energy: -246.558 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: 2, replica: 7 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -2851.642286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.642286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.642286 (E_RNA) where: Base-Base interactions energy: -1989.049 where: short stacking energy: -873.480 Base-Backbone interact. energy: -0.412 local terms energy: -862.181633 where: bonds (distance) C4'-P energy: -155.886 bonds (distance) P-C4' energy: -140.957 flat angles C4'-P-C4' energy: -185.705 flat angles P-C4'-P energy: -116.273 tors. eta vs tors. theta energy: -263.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -2791.769679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.769679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.769679 (E_RNA) where: Base-Base interactions energy: -1946.863 where: short stacking energy: -820.867 Base-Backbone interact. energy: -3.647 local terms energy: -841.259636 where: bonds (distance) C4'-P energy: -156.552 bonds (distance) P-C4' energy: -162.212 flat angles C4'-P-C4' energy: -181.221 flat angles P-C4'-P energy: -118.512 tors. eta vs tors. theta energy: -222.762 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: 4, replica: 4 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -2631.082353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.082353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.082353 (E_RNA) where: Base-Base interactions energy: -1798.547 where: short stacking energy: -803.228 Base-Backbone interact. energy: -1.634 local terms energy: -830.900424 where: bonds (distance) C4'-P energy: -139.074 bonds (distance) P-C4' energy: -164.433 flat angles C4'-P-C4' energy: -174.041 flat angles P-C4'-P energy: -118.450 tors. eta vs tors. theta energy: -234.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -2574.151467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.151467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.151467 (E_RNA) where: Base-Base interactions energy: -1794.241 where: short stacking energy: -760.873 Base-Backbone interact. energy: -4.216 local terms energy: -775.694375 where: bonds (distance) C4'-P energy: -147.066 bonds (distance) P-C4' energy: -142.365 flat angles C4'-P-C4' energy: -173.654 flat angles P-C4'-P energy: -107.719 tors. eta vs tors. theta energy: -204.889 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: 6, replica: 5 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -2362.477405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.477405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.477405 (E_RNA) where: Base-Base interactions energy: -1639.524 where: short stacking energy: -706.961 Base-Backbone interact. energy: -3.412 local terms energy: -719.541597 where: bonds (distance) C4'-P energy: -129.401 bonds (distance) P-C4' energy: -145.107 flat angles C4'-P-C4' energy: -166.615 flat angles P-C4'-P energy: -91.580 tors. eta vs tors. theta energy: -186.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -2061.527609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.527609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.527609 (E_RNA) where: Base-Base interactions energy: -1391.608 where: short stacking energy: -588.114 Base-Backbone interact. energy: -4.120 local terms energy: -665.800500 where: bonds (distance) C4'-P energy: -138.557 bonds (distance) P-C4' energy: -151.851 flat angles C4'-P-C4' energy: -147.678 flat angles P-C4'-P energy: -89.684 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: 8, replica: 2 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -1550.227690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.227690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.227690 (E_RNA) where: Base-Base interactions energy: -944.291 where: short stacking energy: -433.539 Base-Backbone interact. energy: -4.143 local terms energy: -601.793675 where: bonds (distance) C4'-P energy: -124.886 bonds (distance) P-C4' energy: -156.390 flat angles C4'-P-C4' energy: -156.483 flat angles P-C4'-P energy: -82.558 tors. eta vs tors. theta energy: -81.477 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: 1 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -1499.751775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.751775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.751775 (E_RNA) where: Base-Base interactions energy: -1009.479 where: short stacking energy: -440.856 Base-Backbone interact. energy: 1.042 local terms energy: -491.315530 where: bonds (distance) C4'-P energy: -112.239 bonds (distance) P-C4' energy: -129.158 flat angles C4'-P-C4' energy: -121.227 flat angles P-C4'-P energy: -64.434 tors. eta vs tors. theta energy: -64.258 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: 3 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -890.415799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.415799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.415799 (E_RNA) where: Base-Base interactions energy: -447.676 where: short stacking energy: -253.218 Base-Backbone interact. energy: -1.675 local terms energy: -441.064954 where: bonds (distance) C4'-P energy: -113.436 bonds (distance) P-C4' energy: -145.995 flat angles C4'-P-C4' energy: -95.778 flat angles P-C4'-P energy: -77.073 tors. eta vs tors. theta energy: -8.782 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: 6 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -2955.508991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.508991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.508991 (E_RNA) where: Base-Base interactions energy: -2059.181 where: short stacking energy: -854.066 Base-Backbone interact. energy: -1.500 local terms energy: -894.828080 where: bonds (distance) C4'-P energy: -159.598 bonds (distance) P-C4' energy: -172.879 flat angles C4'-P-C4' energy: -190.797 flat angles P-C4'-P energy: -132.274 tors. eta vs tors. theta energy: -239.279 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: 7 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -2864.215845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.215845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.215845 (E_RNA) where: Base-Base interactions energy: -1982.012 where: short stacking energy: -881.008 Base-Backbone interact. energy: -2.742 local terms energy: -879.461837 where: bonds (distance) C4'-P energy: -166.570 bonds (distance) P-C4' energy: -158.284 flat angles C4'-P-C4' energy: -180.500 flat angles P-C4'-P energy: -113.504 tors. eta vs tors. theta energy: -260.604 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: 3, replica: 10 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -2809.609223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.609223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.609223 (E_RNA) where: Base-Base interactions energy: -1961.610 where: short stacking energy: -832.145 Base-Backbone interact. energy: -4.431 local terms energy: -843.568661 where: bonds (distance) C4'-P energy: -154.038 bonds (distance) P-C4' energy: -168.860 flat angles C4'-P-C4' energy: -170.796 flat angles P-C4'-P energy: -121.583 tors. eta vs tors. theta energy: -228.291 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: 4 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -2633.776651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.776651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.776651 (E_RNA) where: Base-Base interactions energy: -1794.261 where: short stacking energy: -802.790 Base-Backbone interact. energy: -2.193 local terms energy: -837.322647 where: bonds (distance) C4'-P energy: -166.424 bonds (distance) P-C4' energy: -153.219 flat angles C4'-P-C4' energy: -180.206 flat angles P-C4'-P energy: -107.193 tors. eta vs tors. theta energy: -230.281 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: 5, replica: 9 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -2501.750178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.750178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.750178 (E_RNA) where: Base-Base interactions energy: -1756.483 where: short stacking energy: -773.623 Base-Backbone interact. energy: -4.991 local terms energy: -740.275820 where: bonds (distance) C4'-P energy: -136.601 bonds (distance) P-C4' energy: -130.240 flat angles C4'-P-C4' energy: -156.910 flat angles P-C4'-P energy: -112.500 tors. eta vs tors. theta energy: -204.024 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: 5 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -2405.071083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.071083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.071083 (E_RNA) where: Base-Base interactions energy: -1658.465 where: short stacking energy: -712.989 Base-Backbone interact. energy: -3.400 local terms energy: -743.206033 where: bonds (distance) C4'-P energy: -144.720 bonds (distance) P-C4' energy: -138.490 flat angles C4'-P-C4' energy: -158.161 flat angles P-C4'-P energy: -107.179 tors. eta vs tors. theta energy: -194.656 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: 8 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1961.113729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.113729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.113729 (E_RNA) where: Base-Base interactions energy: -1311.258 where: short stacking energy: -548.157 Base-Backbone interact. energy: -2.386 local terms energy: -647.469698 where: bonds (distance) C4'-P energy: -137.318 bonds (distance) P-C4' energy: -132.158 flat angles C4'-P-C4' energy: -140.310 flat angles P-C4'-P energy: -85.474 tors. eta vs tors. theta energy: -152.210 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: 8, replica: 1 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -1625.321292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.321292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.321292 (E_RNA) where: Base-Base interactions energy: -1113.338 where: short stacking energy: -498.218 Base-Backbone interact. energy: -1.432 local terms energy: -510.550887 where: bonds (distance) C4'-P energy: -102.868 bonds (distance) P-C4' energy: -114.967 flat angles C4'-P-C4' energy: -119.414 flat angles P-C4'-P energy: -85.692 tors. eta vs tors. theta energy: -87.609 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: 9, replica: 2 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -1447.517464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.517464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.517464 (E_RNA) where: Base-Base interactions energy: -915.333 where: short stacking energy: -440.957 Base-Backbone interact. energy: -0.696 local terms energy: -531.489231 where: bonds (distance) C4'-P energy: -135.424 bonds (distance) P-C4' energy: -132.529 flat angles C4'-P-C4' energy: -121.522 flat angles P-C4'-P energy: -67.093 tors. eta vs tors. theta energy: -74.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -893.516372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.516372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.516372 (E_RNA) where: Base-Base interactions energy: -460.121 where: short stacking energy: -256.294 Base-Backbone interact. energy: -0.169 local terms energy: -433.227136 where: bonds (distance) C4'-P energy: -112.044 bonds (distance) P-C4' energy: -141.160 flat angles C4'-P-C4' energy: -115.053 flat angles P-C4'-P energy: -68.707 tors. eta vs tors. theta energy: 3.738 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: 1, replica: 6 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -2937.781394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.781394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.781394 (E_RNA) where: Base-Base interactions energy: -2076.155 where: short stacking energy: -858.138 Base-Backbone interact. energy: -1.226 local terms energy: -860.400015 where: bonds (distance) C4'-P energy: -150.664 bonds (distance) P-C4' energy: -174.552 flat angles C4'-P-C4' energy: -183.023 flat angles P-C4'-P energy: -117.782 tors. eta vs tors. theta energy: -234.378 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: 7 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -2877.134464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.134464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.134464 (E_RNA) where: Base-Base interactions energy: -2000.318 where: short stacking energy: -885.497 Base-Backbone interact. energy: 0.260 local terms energy: -877.077109 where: bonds (distance) C4'-P energy: -168.274 bonds (distance) P-C4' energy: -159.760 flat angles C4'-P-C4' energy: -184.465 flat angles P-C4'-P energy: -106.162 tors. eta vs tors. theta energy: -258.416 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: 10 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -2779.471654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.471654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.471654 (E_RNA) where: Base-Base interactions energy: -1925.021 where: short stacking energy: -831.392 Base-Backbone interact. energy: -4.012 local terms energy: -850.439378 where: bonds (distance) C4'-P energy: -140.283 bonds (distance) P-C4' energy: -169.487 flat angles C4'-P-C4' energy: -177.345 flat angles P-C4'-P energy: -140.321 tors. eta vs tors. theta energy: -223.003 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: 4 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -2620.771850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.771850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.771850 (E_RNA) where: Base-Base interactions energy: -1800.000 where: short stacking energy: -795.625 Base-Backbone interact. energy: -5.279 local terms energy: -815.492916 where: bonds (distance) C4'-P energy: -149.336 bonds (distance) P-C4' energy: -156.100 flat angles C4'-P-C4' energy: -172.597 flat angles P-C4'-P energy: -110.090 tors. eta vs tors. theta energy: -227.371 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: 5, replica: 9 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -2495.036376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.036376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.036376 (E_RNA) where: Base-Base interactions energy: -1740.724 where: short stacking energy: -755.831 Base-Backbone interact. energy: -4.526 local terms energy: -749.786765 where: bonds (distance) C4'-P energy: -127.907 bonds (distance) P-C4' energy: -151.204 flat angles C4'-P-C4' energy: -172.168 flat angles P-C4'-P energy: -97.625 tors. eta vs tors. theta energy: -200.884 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: 6, replica: 5 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -2376.215899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.215899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.215899 (E_RNA) where: Base-Base interactions energy: -1633.934 where: short stacking energy: -695.541 Base-Backbone interact. energy: -4.222 local terms energy: -738.059567 where: bonds (distance) C4'-P energy: -115.575 bonds (distance) P-C4' energy: -157.343 flat angles C4'-P-C4' energy: -174.962 flat angles P-C4'-P energy: -97.326 tors. eta vs tors. theta energy: -192.855 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: 7, replica: 8 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1968.139484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.139484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.139484 (E_RNA) where: Base-Base interactions energy: -1349.598 where: short stacking energy: -568.068 Base-Backbone interact. energy: -5.731 local terms energy: -612.810943 where: bonds (distance) C4'-P energy: -129.674 bonds (distance) P-C4' energy: -139.384 flat angles C4'-P-C4' energy: -138.771 flat angles P-C4'-P energy: -78.438 tors. eta vs tors. theta energy: -126.543 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: 1 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1511.481214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.481214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.481214 (E_RNA) where: Base-Base interactions energy: -966.254 where: short stacking energy: -427.199 Base-Backbone interact. energy: -1.611 local terms energy: -543.615675 where: bonds (distance) C4'-P energy: -133.425 bonds (distance) P-C4' energy: -133.633 flat angles C4'-P-C4' energy: -127.935 flat angles P-C4'-P energy: -87.464 tors. eta vs tors. theta energy: -61.159 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: 2 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -1474.456273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.456273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.456273 (E_RNA) where: Base-Base interactions energy: -917.238 where: short stacking energy: -429.080 Base-Backbone interact. energy: -1.703 local terms energy: -555.514551 where: bonds (distance) C4'-P energy: -141.108 bonds (distance) P-C4' energy: -147.094 flat angles C4'-P-C4' energy: -118.133 flat angles P-C4'-P energy: -67.759 tors. eta vs tors. theta energy: -81.420 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: 3 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -825.855719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.855719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.855719 (E_RNA) where: Base-Base interactions energy: -399.141 where: short stacking energy: -238.927 Base-Backbone interact. energy: 5.479 local terms energy: -432.193435 where: bonds (distance) C4'-P energy: -118.850 bonds (distance) P-C4' energy: -144.030 flat angles C4'-P-C4' energy: -103.793 flat angles P-C4'-P energy: -64.874 tors. eta vs tors. theta energy: -0.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -2922.616178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.616178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.616178 (E_RNA) where: Base-Base interactions energy: -2056.944 where: short stacking energy: -849.084 Base-Backbone interact. energy: -4.180 local terms energy: -861.491822 where: bonds (distance) C4'-P energy: -149.084 bonds (distance) P-C4' energy: -161.182 flat angles C4'-P-C4' energy: -182.828 flat angles P-C4'-P energy: -125.281 tors. eta vs tors. theta energy: -243.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -2840.577184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.577184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.577184 (E_RNA) where: Base-Base interactions energy: -1945.590 where: short stacking energy: -839.314 Base-Backbone interact. energy: -0.585 local terms energy: -894.402949 where: bonds (distance) C4'-P energy: -173.762 bonds (distance) P-C4' energy: -168.758 flat angles C4'-P-C4' energy: -180.052 flat angles P-C4'-P energy: -113.454 tors. eta vs tors. theta energy: -258.378 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: 10 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -2787.879077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.879077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.879077 (E_RNA) where: Base-Base interactions energy: -1940.899 where: short stacking energy: -814.460 Base-Backbone interact. energy: -3.479 local terms energy: -843.501901 where: bonds (distance) C4'-P energy: -157.024 bonds (distance) P-C4' energy: -163.477 flat angles C4'-P-C4' energy: -178.694 flat angles P-C4'-P energy: -121.743 tors. eta vs tors. theta energy: -222.564 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: 4 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -2630.582208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.582208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.582208 (E_RNA) where: Base-Base interactions energy: -1795.177 where: short stacking energy: -773.463 Base-Backbone interact. energy: -1.205 local terms energy: -834.199760 where: bonds (distance) C4'-P energy: -151.262 bonds (distance) P-C4' energy: -164.354 flat angles C4'-P-C4' energy: -170.977 flat angles P-C4'-P energy: -119.073 tors. eta vs tors. theta energy: -228.533 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: 9 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -2544.673701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.673701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.673701 (E_RNA) where: Base-Base interactions energy: -1793.475 where: short stacking energy: -748.717 Base-Backbone interact. energy: -3.735 local terms energy: -747.463612 where: bonds (distance) C4'-P energy: -147.974 bonds (distance) P-C4' energy: -150.788 flat angles C4'-P-C4' energy: -161.483 flat angles P-C4'-P energy: -92.451 tors. eta vs tors. theta energy: -194.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -2373.172917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.172917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.172917 (E_RNA) where: Base-Base interactions energy: -1662.654 where: short stacking energy: -719.986 Base-Backbone interact. energy: -2.547 local terms energy: -707.971255 where: bonds (distance) C4'-P energy: -136.650 bonds (distance) P-C4' energy: -157.193 flat angles C4'-P-C4' energy: -153.769 flat angles P-C4'-P energy: -70.487 tors. eta vs tors. theta energy: -189.872 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: 7, replica: 8 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1911.726440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.726440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.726440 (E_RNA) where: Base-Base interactions energy: -1238.605 where: short stacking energy: -524.464 Base-Backbone interact. energy: 0.622 local terms energy: -673.743819 where: bonds (distance) C4'-P energy: -148.112 bonds (distance) P-C4' energy: -139.406 flat angles C4'-P-C4' energy: -156.400 flat angles P-C4'-P energy: -105.841 tors. eta vs tors. theta energy: -123.984 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: 8, replica: 1 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1470.247310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.247310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.247310 (E_RNA) where: Base-Base interactions energy: -931.448 where: short stacking energy: -404.661 Base-Backbone interact. energy: -0.872 local terms energy: -537.928178 where: bonds (distance) C4'-P energy: -116.572 bonds (distance) P-C4' energy: -144.191 flat angles C4'-P-C4' energy: -136.795 flat angles P-C4'-P energy: -76.593 tors. eta vs tors. theta energy: -63.777 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: 2 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -1477.029542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.029542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.029542 (E_RNA) where: Base-Base interactions energy: -904.639 where: short stacking energy: -420.879 Base-Backbone interact. energy: 0.484 local terms energy: -572.874883 where: bonds (distance) C4'-P energy: -153.628 bonds (distance) P-C4' energy: -131.438 flat angles C4'-P-C4' energy: -136.312 flat angles P-C4'-P energy: -79.164 tors. eta vs tors. theta energy: -72.333 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: 10, replica: 3 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -875.559065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.559065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.559065 (E_RNA) where: Base-Base interactions energy: -471.725 where: short stacking energy: -292.651 Base-Backbone interact. energy: 6.519 local terms energy: -410.352983 where: bonds (distance) C4'-P energy: -131.881 bonds (distance) P-C4' energy: -92.966 flat angles C4'-P-C4' energy: -100.579 flat angles P-C4'-P energy: -69.585 tors. eta vs tors. theta energy: -15.344 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: 1, replica: 6 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -2938.980496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.980496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.980496 (E_RNA) where: Base-Base interactions energy: -2084.772 where: short stacking energy: -864.370 Base-Backbone interact. energy: -2.978 local terms energy: -851.231401 where: bonds (distance) C4'-P energy: -144.751 bonds (distance) P-C4' energy: -158.754 flat angles C4'-P-C4' energy: -181.801 flat angles P-C4'-P energy: -118.383 tors. eta vs tors. theta energy: -247.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -2831.068573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.068573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.068573 (E_RNA) where: Base-Base interactions energy: -1956.673 where: short stacking energy: -858.825 Base-Backbone interact. energy: -3.929 local terms energy: -870.466756 where: bonds (distance) C4'-P energy: -164.671 bonds (distance) P-C4' energy: -161.539 flat angles C4'-P-C4' energy: -182.358 flat angles P-C4'-P energy: -111.260 tors. eta vs tors. theta energy: -250.638 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: 3, replica: 10 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -2798.584362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.584362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.584362 (E_RNA) where: Base-Base interactions energy: -1967.415 where: short stacking energy: -803.473 Base-Backbone interact. energy: -1.797 local terms energy: -829.372478 where: bonds (distance) C4'-P energy: -162.148 bonds (distance) P-C4' energy: -164.826 flat angles C4'-P-C4' energy: -181.893 flat angles P-C4'-P energy: -109.436 tors. eta vs tors. theta energy: -211.070 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: 4 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -2622.807774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.807774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.807774 (E_RNA) where: Base-Base interactions energy: -1830.439 where: short stacking energy: -771.852 Base-Backbone interact. energy: -5.922 local terms energy: -786.446854 where: bonds (distance) C4'-P energy: -134.790 bonds (distance) P-C4' energy: -151.289 flat angles C4'-P-C4' energy: -166.067 flat angles P-C4'-P energy: -112.721 tors. eta vs tors. theta energy: -221.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -2530.080633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.080633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.080633 (E_RNA) where: Base-Base interactions energy: -1767.824 where: short stacking energy: -743.476 Base-Backbone interact. energy: -6.659 local terms energy: -755.598071 where: bonds (distance) C4'-P energy: -140.987 bonds (distance) P-C4' energy: -145.935 flat angles C4'-P-C4' energy: -161.836 flat angles P-C4'-P energy: -105.328 tors. eta vs tors. theta energy: -201.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -2407.054906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.054906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.054906 (E_RNA) where: Base-Base interactions energy: -1666.424 where: short stacking energy: -734.165 Base-Backbone interact. energy: 3.368 local terms energy: -743.998653 where: bonds (distance) C4'-P energy: -129.096 bonds (distance) P-C4' energy: -142.070 flat angles C4'-P-C4' energy: -163.650 flat angles P-C4'-P energy: -102.091 tors. eta vs tors. theta energy: -207.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1883.388189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.388189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.388189 (E_RNA) where: Base-Base interactions energy: -1242.584 where: short stacking energy: -542.057 Base-Backbone interact. energy: -6.271 local terms energy: -634.533036 where: bonds (distance) C4'-P energy: -157.974 bonds (distance) P-C4' energy: -126.654 flat angles C4'-P-C4' energy: -139.998 flat angles P-C4'-P energy: -95.476 tors. eta vs tors. theta energy: -114.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1459.578218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.578218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.578218 (E_RNA) where: Base-Base interactions energy: -912.285 where: short stacking energy: -449.319 Base-Backbone interact. energy: 4.467 local terms energy: -551.759935 where: bonds (distance) C4'-P energy: -138.358 bonds (distance) P-C4' energy: -126.270 flat angles C4'-P-C4' energy: -139.618 flat angles P-C4'-P energy: -89.813 tors. eta vs tors. theta energy: -57.702 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: 2 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -1490.268080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.268080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.268080 (E_RNA) where: Base-Base interactions energy: -915.151 where: short stacking energy: -470.927 Base-Backbone interact. energy: -2.064 local terms energy: -573.053280 where: bonds (distance) C4'-P energy: -119.297 bonds (distance) P-C4' energy: -136.381 flat angles C4'-P-C4' energy: -138.741 flat angles P-C4'-P energy: -74.443 tors. eta vs tors. theta energy: -104.191 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: 10, replica: 3 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -876.168904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.168904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.168904 (E_RNA) where: Base-Base interactions energy: -439.835 where: short stacking energy: -243.027 Base-Backbone interact. energy: 1.945 local terms energy: -438.278083 where: bonds (distance) C4'-P energy: -133.669 bonds (distance) P-C4' energy: -149.523 flat angles C4'-P-C4' energy: -113.519 flat angles P-C4'-P energy: -45.684 tors. eta vs tors. theta energy: 4.117 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: 6 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -2946.045218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.045218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.045218 (E_RNA) where: Base-Base interactions energy: -2100.302 where: short stacking energy: -893.823 Base-Backbone interact. energy: -0.977 local terms energy: -844.765778 where: bonds (distance) C4'-P energy: -153.001 bonds (distance) P-C4' energy: -155.781 flat angles C4'-P-C4' energy: -173.302 flat angles P-C4'-P energy: -117.691 tors. eta vs tors. theta energy: -244.992 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: 7 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -2850.421443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.421443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.421443 (E_RNA) where: Base-Base interactions energy: -1957.255 where: short stacking energy: -876.097 Base-Backbone interact. energy: -4.346 local terms energy: -888.820819 where: bonds (distance) C4'-P energy: -157.947 bonds (distance) P-C4' energy: -153.959 flat angles C4'-P-C4' energy: -186.949 flat angles P-C4'-P energy: -120.440 tors. eta vs tors. theta energy: -269.526 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: 3, replica: 10 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -2785.844636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.844636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.844636 (E_RNA) where: Base-Base interactions energy: -1944.849 where: short stacking energy: -842.901 Base-Backbone interact. energy: -8.326 local terms energy: -832.669262 where: bonds (distance) C4'-P energy: -148.881 bonds (distance) P-C4' energy: -163.842 flat angles C4'-P-C4' energy: -181.123 flat angles P-C4'-P energy: -109.065 tors. eta vs tors. theta energy: -229.758 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: 4 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -2640.580916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.580916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.580916 (E_RNA) where: Base-Base interactions energy: -1853.667 where: short stacking energy: -760.975 Base-Backbone interact. energy: -3.188 local terms energy: -783.726012 where: bonds (distance) C4'-P energy: -135.163 bonds (distance) P-C4' energy: -155.210 flat angles C4'-P-C4' energy: -175.855 flat angles P-C4'-P energy: -103.981 tors. eta vs tors. theta energy: -213.518 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: 9 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -2484.182611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.182611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.182611 (E_RNA) where: Base-Base interactions energy: -1729.168 where: short stacking energy: -726.173 Base-Backbone interact. energy: -2.540 local terms energy: -752.474539 where: bonds (distance) C4'-P energy: -149.424 bonds (distance) P-C4' energy: -138.256 flat angles C4'-P-C4' energy: -160.870 flat angles P-C4'-P energy: -107.269 tors. eta vs tors. theta energy: -196.656 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: 6, replica: 5 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -2405.839194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.839194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.839194 (E_RNA) where: Base-Base interactions energy: -1634.430 where: short stacking energy: -705.250 Base-Backbone interact. energy: -4.889 local terms energy: -766.519806 where: bonds (distance) C4'-P energy: -145.482 bonds (distance) P-C4' energy: -151.814 flat angles C4'-P-C4' energy: -159.026 flat angles P-C4'-P energy: -108.271 tors. eta vs tors. theta energy: -201.928 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: 7, replica: 8 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1943.048080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.048080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.048080 (E_RNA) where: Base-Base interactions energy: -1269.048 where: short stacking energy: -559.190 Base-Backbone interact. energy: -0.616 local terms energy: -673.383995 where: bonds (distance) C4'-P energy: -143.921 bonds (distance) P-C4' energy: -135.592 flat angles C4'-P-C4' energy: -148.426 flat angles P-C4'-P energy: -100.611 tors. eta vs tors. theta energy: -144.834 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: 1 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -1621.450845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.450845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.450845 (E_RNA) where: Base-Base interactions energy: -1029.553 where: short stacking energy: -453.502 Base-Backbone interact. energy: -3.572 local terms energy: -588.325858 where: bonds (distance) C4'-P energy: -138.935 bonds (distance) P-C4' energy: -133.042 flat angles C4'-P-C4' energy: -142.082 flat angles P-C4'-P energy: -88.923 tors. eta vs tors. theta energy: -85.343 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: 2 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -1449.387596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.387596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.387596 (E_RNA) where: Base-Base interactions energy: -936.919 where: short stacking energy: -433.685 Base-Backbone interact. energy: 1.302 local terms energy: -513.769963 where: bonds (distance) C4'-P energy: -135.797 bonds (distance) P-C4' energy: -126.936 flat angles C4'-P-C4' energy: -113.391 flat angles P-C4'-P energy: -74.866 tors. eta vs tors. theta energy: -62.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -918.925258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.925258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.925258 (E_RNA) where: Base-Base interactions energy: -474.430 where: short stacking energy: -277.689 Base-Backbone interact. energy: -2.059 local terms energy: -442.436223 where: bonds (distance) C4'-P energy: -136.692 bonds (distance) P-C4' energy: -134.347 flat angles C4'-P-C4' energy: -106.743 flat angles P-C4'-P energy: -68.664 tors. eta vs tors. theta energy: 4.010 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: 1, replica: 6 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -2936.875268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.875268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.875268 (E_RNA) where: Base-Base interactions energy: -2049.828 where: short stacking energy: -845.771 Base-Backbone interact. energy: -5.405 local terms energy: -881.642896 where: bonds (distance) C4'-P energy: -153.655 bonds (distance) P-C4' energy: -165.413 flat angles C4'-P-C4' energy: -184.587 flat angles P-C4'-P energy: -126.840 tors. eta vs tors. theta energy: -251.149 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: 2, replica: 7 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -2880.946889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.946889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.946889 (E_RNA) where: Base-Base interactions energy: -1988.201 where: short stacking energy: -878.810 Base-Backbone interact. energy: -2.020 local terms energy: -890.725579 where: bonds (distance) C4'-P energy: -151.816 bonds (distance) P-C4' energy: -167.044 flat angles C4'-P-C4' energy: -184.754 flat angles P-C4'-P energy: -127.341 tors. eta vs tors. theta energy: -259.770 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: 3, replica: 10 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -2776.878243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.878243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.878243 (E_RNA) where: Base-Base interactions energy: -1937.456 where: short stacking energy: -804.566 Base-Backbone interact. energy: -2.941 local terms energy: -836.480583 where: bonds (distance) C4'-P energy: -149.634 bonds (distance) P-C4' energy: -163.828 flat angles C4'-P-C4' energy: -190.038 flat angles P-C4'-P energy: -109.404 tors. eta vs tors. theta energy: -223.576 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: 4, replica: 4 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -2641.594464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.594464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.594464 (E_RNA) where: Base-Base interactions energy: -1845.479 where: short stacking energy: -811.545 Base-Backbone interact. energy: -2.032 local terms energy: -794.083468 where: bonds (distance) C4'-P energy: -116.474 bonds (distance) P-C4' energy: -146.918 flat angles C4'-P-C4' energy: -173.073 flat angles P-C4'-P energy: -114.617 tors. eta vs tors. theta energy: -243.002 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: 5, replica: 9 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -2541.887764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.887764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.887764 (E_RNA) where: Base-Base interactions energy: -1823.977 where: short stacking energy: -756.090 Base-Backbone interact. energy: -4.953 local terms energy: -712.957640 where: bonds (distance) C4'-P energy: -118.770 bonds (distance) P-C4' energy: -136.366 flat angles C4'-P-C4' energy: -157.407 flat angles P-C4'-P energy: -99.404 tors. eta vs tors. theta energy: -201.010 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: 5 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -2366.123708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.123708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.123708 (E_RNA) where: Base-Base interactions energy: -1650.168 where: short stacking energy: -714.159 Base-Backbone interact. energy: -5.078 local terms energy: -710.876836 where: bonds (distance) C4'-P energy: -133.304 bonds (distance) P-C4' energy: -133.782 flat angles C4'-P-C4' energy: -150.216 flat angles P-C4'-P energy: -101.265 tors. eta vs tors. theta energy: -192.311 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: 7, replica: 8 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -2014.918167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.918167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.918167 (E_RNA) where: Base-Base interactions energy: -1337.773 where: short stacking energy: -588.122 Base-Backbone interact. energy: 1.409 local terms energy: -678.553670 where: bonds (distance) C4'-P energy: -159.621 bonds (distance) P-C4' energy: -153.721 flat angles C4'-P-C4' energy: -139.133 flat angles P-C4'-P energy: -84.949 tors. eta vs tors. theta energy: -141.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1567.886680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.886680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.886680 (E_RNA) where: Base-Base interactions energy: -989.090 where: short stacking energy: -441.868 Base-Backbone interact. energy: -3.570 local terms energy: -575.226314 where: bonds (distance) C4'-P energy: -123.825 bonds (distance) P-C4' energy: -133.655 flat angles C4'-P-C4' energy: -145.289 flat angles P-C4'-P energy: -86.365 tors. eta vs tors. theta energy: -86.092 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: 2 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -1391.530874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.530874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.530874 (E_RNA) where: Base-Base interactions energy: -860.655 where: short stacking energy: -405.681 Base-Backbone interact. energy: -4.714 local terms energy: -526.162463 where: bonds (distance) C4'-P energy: -113.712 bonds (distance) P-C4' energy: -139.893 flat angles C4'-P-C4' energy: -134.727 flat angles P-C4'-P energy: -74.426 tors. eta vs tors. theta energy: -63.404 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: 3 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -997.869870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.869870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.869870 (E_RNA) where: Base-Base interactions energy: -532.531 where: short stacking energy: -293.217 Base-Backbone interact. energy: 5.037 local terms energy: -470.376145 where: bonds (distance) C4'-P energy: -129.334 bonds (distance) P-C4' energy: -129.518 flat angles C4'-P-C4' energy: -120.381 flat angles P-C4'-P energy: -82.308 tors. eta vs tors. theta energy: -8.835 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: 1, replica: 6 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -2943.896424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.896424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.896424 (E_RNA) where: Base-Base interactions energy: -2081.891 where: short stacking energy: -861.944 Base-Backbone interact. energy: -4.960 local terms energy: -857.045782 where: bonds (distance) C4'-P energy: -153.177 bonds (distance) P-C4' energy: -150.450 flat angles C4'-P-C4' energy: -181.354 flat angles P-C4'-P energy: -117.275 tors. eta vs tors. theta energy: -254.789 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: 2, replica: 7 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -2847.069143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.069143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.069143 (E_RNA) where: Base-Base interactions energy: -1971.801 where: short stacking energy: -873.663 Base-Backbone interact. energy: 0.537 local terms energy: -875.805077 where: bonds (distance) C4'-P energy: -162.376 bonds (distance) P-C4' energy: -153.589 flat angles C4'-P-C4' energy: -190.322 flat angles P-C4'-P energy: -111.247 tors. eta vs tors. theta energy: -258.270 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: 10 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -2755.960519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.960519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.960519 (E_RNA) where: Base-Base interactions energy: -1955.640 where: short stacking energy: -834.058 Base-Backbone interact. energy: 0.365 local terms energy: -800.685122 where: bonds (distance) C4'-P energy: -139.979 bonds (distance) P-C4' energy: -148.193 flat angles C4'-P-C4' energy: -171.357 flat angles P-C4'-P energy: -117.502 tors. eta vs tors. theta energy: -223.654 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: 4, replica: 4 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -2638.328745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.328745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.328745 (E_RNA) where: Base-Base interactions energy: -1796.748 where: short stacking energy: -760.418 Base-Backbone interact. energy: -0.689 local terms energy: -840.891485 where: bonds (distance) C4'-P energy: -171.201 bonds (distance) P-C4' energy: -157.736 flat angles C4'-P-C4' energy: -174.539 flat angles P-C4'-P energy: -112.637 tors. eta vs tors. theta energy: -224.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -2556.245437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.245437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.245437 (E_RNA) where: Base-Base interactions energy: -1813.126 where: short stacking energy: -736.127 Base-Backbone interact. energy: -6.825 local terms energy: -736.294841 where: bonds (distance) C4'-P energy: -142.418 bonds (distance) P-C4' energy: -139.637 flat angles C4'-P-C4' energy: -167.966 flat angles P-C4'-P energy: -92.513 tors. eta vs tors. theta energy: -193.761 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: 6, replica: 5 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -2429.902046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.902046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.902046 (E_RNA) where: Base-Base interactions energy: -1669.166 where: short stacking energy: -726.652 Base-Backbone interact. energy: -1.681 local terms energy: -759.054990 where: bonds (distance) C4'-P energy: -139.280 bonds (distance) P-C4' energy: -135.250 flat angles C4'-P-C4' energy: -169.715 flat angles P-C4'-P energy: -114.624 tors. eta vs tors. theta energy: -200.185 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: 7, replica: 8 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1997.406176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.406176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.406176 (E_RNA) where: Base-Base interactions energy: -1365.259 where: short stacking energy: -568.267 Base-Backbone interact. energy: -2.779 local terms energy: -629.368189 where: bonds (distance) C4'-P energy: -143.578 bonds (distance) P-C4' energy: -134.410 flat angles C4'-P-C4' energy: -124.049 flat angles P-C4'-P energy: -87.900 tors. eta vs tors. theta energy: -139.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1591.038686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.038686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.038686 (E_RNA) where: Base-Base interactions energy: -1019.878 where: short stacking energy: -459.896 Base-Backbone interact. energy: -1.567 local terms energy: -569.593281 where: bonds (distance) C4'-P energy: -128.676 bonds (distance) P-C4' energy: -141.010 flat angles C4'-P-C4' energy: -138.313 flat angles P-C4'-P energy: -82.879 tors. eta vs tors. theta energy: -78.716 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: 2 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -1517.445241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.445241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.445241 (E_RNA) where: Base-Base interactions energy: -968.145 where: short stacking energy: -440.922 Base-Backbone interact. energy: 0.496 local terms energy: -549.795698 where: bonds (distance) C4'-P energy: -119.399 bonds (distance) P-C4' energy: -128.203 flat angles C4'-P-C4' energy: -122.927 flat angles P-C4'-P energy: -98.615 tors. eta vs tors. theta energy: -80.652 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: 10, replica: 3 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -930.588296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.588296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.588296 (E_RNA) where: Base-Base interactions energy: -482.619 where: short stacking energy: -272.859 Base-Backbone interact. energy: 2.565 local terms energy: -450.534873 where: bonds (distance) C4'-P energy: -107.124 bonds (distance) P-C4' energy: -142.666 flat angles C4'-P-C4' energy: -110.189 flat angles P-C4'-P energy: -66.224 tors. eta vs tors. theta energy: -24.333 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: 1, replica: 6 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -2954.978292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.978292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.978292 (E_RNA) where: Base-Base interactions energy: -2080.474 where: short stacking energy: -878.834 Base-Backbone interact. energy: -0.986 local terms energy: -873.518032 where: bonds (distance) C4'-P energy: -160.992 bonds (distance) P-C4' energy: -172.471 flat angles C4'-P-C4' energy: -168.575 flat angles P-C4'-P energy: -124.173 tors. eta vs tors. theta energy: -247.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -2864.541992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.541992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.541992 (E_RNA) where: Base-Base interactions energy: -1969.077 where: short stacking energy: -853.258 Base-Backbone interact. energy: -0.172 local terms energy: -895.293858 where: bonds (distance) C4'-P energy: -165.098 bonds (distance) P-C4' energy: -158.284 flat angles C4'-P-C4' energy: -190.109 flat angles P-C4'-P energy: -126.675 tors. eta vs tors. theta energy: -255.129 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: 3, replica: 10 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -2730.597769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.597769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.597769 (E_RNA) where: Base-Base interactions energy: -1899.973 where: short stacking energy: -801.305 Base-Backbone interact. energy: -5.663 local terms energy: -824.960947 where: bonds (distance) C4'-P energy: -161.620 bonds (distance) P-C4' energy: -154.833 flat angles C4'-P-C4' energy: -178.766 flat angles P-C4'-P energy: -100.526 tors. eta vs tors. theta energy: -229.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -2632.803663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.803663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.803663 (E_RNA) where: Base-Base interactions energy: -1821.692 where: short stacking energy: -798.221 Base-Backbone interact. energy: -2.026 local terms energy: -809.085390 where: bonds (distance) C4'-P energy: -152.109 bonds (distance) P-C4' energy: -135.453 flat angles C4'-P-C4' energy: -177.778 flat angles P-C4'-P energy: -119.646 tors. eta vs tors. theta energy: -224.100 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: 5, replica: 9 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -2574.885744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.885744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.885744 (E_RNA) where: Base-Base interactions energy: -1838.616 where: short stacking energy: -781.595 Base-Backbone interact. energy: -0.642 local terms energy: -735.627157 where: bonds (distance) C4'-P energy: -118.251 bonds (distance) P-C4' energy: -144.612 flat angles C4'-P-C4' energy: -163.294 flat angles P-C4'-P energy: -108.414 tors. eta vs tors. theta energy: -201.057 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: 426 Temperature: 1.150000 Total energy: -2425.459759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.459759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.459759 (E_RNA) where: Base-Base interactions energy: -1656.287 where: short stacking energy: -723.825 Base-Backbone interact. energy: -0.639 local terms energy: -768.534235 where: bonds (distance) C4'-P energy: -146.331 bonds (distance) P-C4' energy: -138.942 flat angles C4'-P-C4' energy: -165.703 flat angles P-C4'-P energy: -102.847 tors. eta vs tors. theta energy: -214.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1987.487527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.487527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.487527 (E_RNA) where: Base-Base interactions energy: -1333.963 where: short stacking energy: -582.363 Base-Backbone interact. energy: 4.100 local terms energy: -657.624590 where: bonds (distance) C4'-P energy: -131.171 bonds (distance) P-C4' energy: -131.478 flat angles C4'-P-C4' energy: -146.682 flat angles P-C4'-P energy: -102.408 tors. eta vs tors. theta energy: -145.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -1623.080187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.080187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.080187 (E_RNA) where: Base-Base interactions energy: -1054.635 where: short stacking energy: -484.552 Base-Backbone interact. energy: 6.579 local terms energy: -575.024483 where: bonds (distance) C4'-P energy: -115.793 bonds (distance) P-C4' energy: -137.360 flat angles C4'-P-C4' energy: -131.252 flat angles P-C4'-P energy: -102.632 tors. eta vs tors. theta energy: -87.988 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: 2 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -1497.658054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.658054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.658054 (E_RNA) where: Base-Base interactions energy: -958.205 where: short stacking energy: -434.619 Base-Backbone interact. energy: 0.444 local terms energy: -539.897659 where: bonds (distance) C4'-P energy: -132.397 bonds (distance) P-C4' energy: -139.054 flat angles C4'-P-C4' energy: -119.875 flat angles P-C4'-P energy: -76.463 tors. eta vs tors. theta energy: -72.109 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: 10, replica: 3 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -926.200747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.200747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.200747 (E_RNA) where: Base-Base interactions energy: -513.764 where: short stacking energy: -276.302 Base-Backbone interact. energy: 6.098 local terms energy: -418.534717 where: bonds (distance) C4'-P energy: -120.459 bonds (distance) P-C4' energy: -131.094 flat angles C4'-P-C4' energy: -121.736 flat angles P-C4'-P energy: -44.284 tors. eta vs tors. theta energy: -0.961 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: 1, replica: 6 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -2937.711806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.711806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.711806 (E_RNA) where: Base-Base interactions energy: -2063.309 where: short stacking energy: -846.183 Base-Backbone interact. energy: -4.426 local terms energy: -869.976747 where: bonds (distance) C4'-P energy: -156.123 bonds (distance) P-C4' energy: -172.254 flat angles C4'-P-C4' energy: -186.730 flat angles P-C4'-P energy: -122.020 tors. eta vs tors. theta energy: -232.849 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: 2, replica: 7 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -2864.757990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.757990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.757990 (E_RNA) where: Base-Base interactions energy: -1961.565 where: short stacking energy: -861.482 Base-Backbone interact. energy: -2.504 local terms energy: -900.688465 where: bonds (distance) C4'-P energy: -167.259 bonds (distance) P-C4' energy: -153.256 flat angles C4'-P-C4' energy: -190.209 flat angles P-C4'-P energy: -125.430 tors. eta vs tors. theta energy: -264.534 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: 10 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -2776.755272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.755272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.755272 (E_RNA) where: Base-Base interactions energy: -1936.903 where: short stacking energy: -817.591 Base-Backbone interact. energy: -1.911 local terms energy: -837.941115 where: bonds (distance) C4'-P energy: -145.230 bonds (distance) P-C4' energy: -153.925 flat angles C4'-P-C4' energy: -192.552 flat angles P-C4'-P energy: -112.077 tors. eta vs tors. theta energy: -234.158 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: 4, replica: 4 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -2631.229822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.229822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.229822 (E_RNA) where: Base-Base interactions energy: -1828.669 where: short stacking energy: -786.379 Base-Backbone interact. energy: 3.101 local terms energy: -805.661271 where: bonds (distance) C4'-P energy: -148.088 bonds (distance) P-C4' energy: -134.104 flat angles C4'-P-C4' energy: -175.453 flat angles P-C4'-P energy: -119.635 tors. eta vs tors. theta energy: -228.381 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: 9 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -2521.321142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.321142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.321142 (E_RNA) where: Base-Base interactions energy: -1772.445 where: short stacking energy: -769.139 Base-Backbone interact. energy: -4.944 local terms energy: -743.932233 where: bonds (distance) C4'-P energy: -147.830 bonds (distance) P-C4' energy: -136.911 flat angles C4'-P-C4' energy: -154.367 flat angles P-C4'-P energy: -108.929 tors. eta vs tors. theta energy: -195.895 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: 427 Temperature: 1.150000 Total energy: -2431.378266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.378266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.378266 (E_RNA) where: Base-Base interactions energy: -1670.402 where: short stacking energy: -713.334 Base-Backbone interact. energy: -1.617 local terms energy: -759.359814 where: bonds (distance) C4'-P energy: -140.697 bonds (distance) P-C4' energy: -141.164 flat angles C4'-P-C4' energy: -160.786 flat angles P-C4'-P energy: -108.384 tors. eta vs tors. theta energy: -208.329 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: 7, replica: 8 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1981.722284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.722284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.722284 (E_RNA) where: Base-Base interactions energy: -1324.028 where: short stacking energy: -571.099 Base-Backbone interact. energy: -5.361 local terms energy: -652.333256 where: bonds (distance) C4'-P energy: -138.986 bonds (distance) P-C4' energy: -137.117 flat angles C4'-P-C4' energy: -147.494 flat angles P-C4'-P energy: -91.201 tors. eta vs tors. theta energy: -137.536 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: 2 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -1531.223570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.223570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.223570 (E_RNA) where: Base-Base interactions energy: -980.749 where: short stacking energy: -448.996 Base-Backbone interact. energy: 3.000 local terms energy: -553.474914 where: bonds (distance) C4'-P energy: -130.615 bonds (distance) P-C4' energy: -130.903 flat angles C4'-P-C4' energy: -142.055 flat angles P-C4'-P energy: -66.077 tors. eta vs tors. theta energy: -83.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -1541.769475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.769475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.769475 (E_RNA) where: Base-Base interactions energy: -1018.610 where: short stacking energy: -463.312 Base-Backbone interact. energy: 10.172 local terms energy: -533.331949 where: bonds (distance) C4'-P energy: -127.946 bonds (distance) P-C4' energy: -111.631 flat angles C4'-P-C4' energy: -138.411 flat angles P-C4'-P energy: -79.809 tors. eta vs tors. theta energy: -75.535 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: 10, replica: 3 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -940.644049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.644049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.644049 (E_RNA) where: Base-Base interactions energy: -496.688 where: short stacking energy: -286.030 Base-Backbone interact. energy: 3.601 local terms energy: -447.556711 where: bonds (distance) C4'-P energy: -112.473 bonds (distance) P-C4' energy: -137.617 flat angles C4'-P-C4' energy: -108.673 flat angles P-C4'-P energy: -81.818 tors. eta vs tors. theta energy: -6.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -2929.192559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.192559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.192559 (E_RNA) where: Base-Base interactions energy: -2028.404 where: short stacking energy: -893.424 Base-Backbone interact. energy: 1.031 local terms energy: -901.819720 where: bonds (distance) C4'-P energy: -159.390 bonds (distance) P-C4' energy: -156.155 flat angles C4'-P-C4' energy: -190.836 flat angles P-C4'-P energy: -128.948 tors. eta vs tors. theta energy: -266.491 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: 2, replica: 6 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -2890.433160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.433160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.433160 (E_RNA) where: Base-Base interactions energy: -2021.657 where: short stacking energy: -822.340 Base-Backbone interact. energy: -3.419 local terms energy: -865.357136 where: bonds (distance) C4'-P energy: -161.991 bonds (distance) P-C4' energy: -157.165 flat angles C4'-P-C4' energy: -192.137 flat angles P-C4'-P energy: -121.644 tors. eta vs tors. theta energy: -232.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -2738.316391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.316391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.316391 (E_RNA) where: Base-Base interactions energy: -1917.511 where: short stacking energy: -818.079 Base-Backbone interact. energy: -1.762 local terms energy: -819.043069 where: bonds (distance) C4'-P energy: -148.494 bonds (distance) P-C4' energy: -159.254 flat angles C4'-P-C4' energy: -185.265 flat angles P-C4'-P energy: -105.540 tors. eta vs tors. theta energy: -220.490 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: 4, replica: 4 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -2672.117258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.117258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.117258 (E_RNA) where: Base-Base interactions energy: -1843.050 where: short stacking energy: -770.928 Base-Backbone interact. energy: -1.609 local terms energy: -827.457606 where: bonds (distance) C4'-P energy: -146.361 bonds (distance) P-C4' energy: -155.364 flat angles C4'-P-C4' energy: -174.353 flat angles P-C4'-P energy: -121.866 tors. eta vs tors. theta energy: -229.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -2521.866805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.866805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.866805 (E_RNA) where: Base-Base interactions energy: -1787.315 where: short stacking energy: -738.137 Base-Backbone interact. energy: -7.089 local terms energy: -727.462901 where: bonds (distance) C4'-P energy: -131.189 bonds (distance) P-C4' energy: -131.138 flat angles C4'-P-C4' energy: -154.996 flat angles P-C4'-P energy: -115.866 tors. eta vs tors. theta energy: -194.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -2409.393284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.393284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.393284 (E_RNA) where: Base-Base interactions energy: -1688.307 where: short stacking energy: -743.027 Base-Backbone interact. energy: -0.706 local terms energy: -720.380489 where: bonds (distance) C4'-P energy: -142.444 bonds (distance) P-C4' energy: -120.813 flat angles C4'-P-C4' energy: -153.871 flat angles P-C4'-P energy: -99.183 tors. eta vs tors. theta energy: -204.069 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: 8 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -2037.218761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.218761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.218761 (E_RNA) where: Base-Base interactions energy: -1368.871 where: short stacking energy: -619.664 Base-Backbone interact. energy: -6.823 local terms energy: -661.525056 where: bonds (distance) C4'-P energy: -119.735 bonds (distance) P-C4' energy: -143.973 flat angles C4'-P-C4' energy: -151.810 flat angles P-C4'-P energy: -99.241 tors. eta vs tors. theta energy: -146.767 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: 2 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -1554.209688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.209688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.209688 (E_RNA) where: Base-Base interactions energy: -981.926 where: short stacking energy: -455.120 Base-Backbone interact. energy: -2.959 local terms energy: -569.324285 where: bonds (distance) C4'-P energy: -127.299 bonds (distance) P-C4' energy: -132.462 flat angles C4'-P-C4' energy: -144.518 flat angles P-C4'-P energy: -91.985 tors. eta vs tors. theta energy: -73.061 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: 1 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -1530.010999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.010999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.010999 (E_RNA) where: Base-Base interactions energy: -986.079 where: short stacking energy: -433.132 Base-Backbone interact. energy: 5.252 local terms energy: -549.183501 where: bonds (distance) C4'-P energy: -119.397 bonds (distance) P-C4' energy: -149.413 flat angles C4'-P-C4' energy: -137.876 flat angles P-C4'-P energy: -78.257 tors. eta vs tors. theta energy: -64.241 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: 3 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -1012.167085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.167085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.167085 (E_RNA) where: Base-Base interactions energy: -565.235 where: short stacking energy: -293.448 Base-Backbone interact. energy: 1.976 local terms energy: -448.908922 where: bonds (distance) C4'-P energy: -127.112 bonds (distance) P-C4' energy: -129.000 flat angles C4'-P-C4' energy: -121.624 flat angles P-C4'-P energy: -64.639 tors. eta vs tors. theta energy: -6.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -2921.294211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.294211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.294211 (E_RNA) where: Base-Base interactions energy: -2020.873 where: short stacking energy: -886.382 Base-Backbone interact. energy: -1.358 local terms energy: -899.062974 where: bonds (distance) C4'-P energy: -167.355 bonds (distance) P-C4' energy: -149.492 flat angles C4'-P-C4' energy: -186.935 flat angles P-C4'-P energy: -134.840 tors. eta vs tors. theta energy: -260.441 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: 6 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -2885.323572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.323572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.323572 (E_RNA) where: Base-Base interactions energy: -1996.880 where: short stacking energy: -830.092 Base-Backbone interact. energy: 0.345 local terms energy: -888.788408 where: bonds (distance) C4'-P energy: -172.649 bonds (distance) P-C4' energy: -162.507 flat angles C4'-P-C4' energy: -192.095 flat angles P-C4'-P energy: -126.014 tors. eta vs tors. theta energy: -235.523 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: 10 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -2783.089931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.089931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.089931 (E_RNA) where: Base-Base interactions energy: -1949.986 where: short stacking energy: -830.748 Base-Backbone interact. energy: -4.887 local terms energy: -828.216136 where: bonds (distance) C4'-P energy: -138.600 bonds (distance) P-C4' energy: -159.067 flat angles C4'-P-C4' energy: -182.423 flat angles P-C4'-P energy: -117.015 tors. eta vs tors. theta energy: -231.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -2697.367739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.367739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.367739 (E_RNA) where: Base-Base interactions energy: -1829.356 where: short stacking energy: -817.101 Base-Backbone interact. energy: -4.349 local terms energy: -863.662361 where: bonds (distance) C4'-P energy: -163.348 bonds (distance) P-C4' energy: -168.145 flat angles C4'-P-C4' energy: -185.920 flat angles P-C4'-P energy: -112.270 tors. eta vs tors. theta energy: -233.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -2523.828664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.828664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.828664 (E_RNA) where: Base-Base interactions energy: -1759.884 where: short stacking energy: -741.522 Base-Backbone interact. energy: 0.126 local terms energy: -764.070398 where: bonds (distance) C4'-P energy: -160.814 bonds (distance) P-C4' energy: -141.264 flat angles C4'-P-C4' energy: -150.790 flat angles P-C4'-P energy: -121.964 tors. eta vs tors. theta energy: -189.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -2390.264419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.264419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.264419 (E_RNA) where: Base-Base interactions energy: -1645.122 where: short stacking energy: -712.987 Base-Backbone interact. energy: -4.023 local terms energy: -741.119072 where: bonds (distance) C4'-P energy: -116.438 bonds (distance) P-C4' energy: -167.422 flat angles C4'-P-C4' energy: -150.281 flat angles P-C4'-P energy: -116.689 tors. eta vs tors. theta energy: -190.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -2038.565295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.565295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.565295 (E_RNA) where: Base-Base interactions energy: -1378.840 where: short stacking energy: -573.325 Base-Backbone interact. energy: -2.076 local terms energy: -657.649923 where: bonds (distance) C4'-P energy: -122.925 bonds (distance) P-C4' energy: -149.030 flat angles C4'-P-C4' energy: -152.936 flat angles P-C4'-P energy: -83.087 tors. eta vs tors. theta energy: -149.672 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: 2 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1588.013936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.013936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.013936 (E_RNA) where: Base-Base interactions energy: -995.692 where: short stacking energy: -447.064 Base-Backbone interact. energy: 4.278 local terms energy: -596.600318 where: bonds (distance) C4'-P energy: -117.684 bonds (distance) P-C4' energy: -153.508 flat angles C4'-P-C4' energy: -133.118 flat angles P-C4'-P energy: -99.930 tors. eta vs tors. theta energy: -92.360 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: 9, replica: 1 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -1488.590048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.590048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.590048 (E_RNA) where: Base-Base interactions energy: -968.632 where: short stacking energy: -453.036 Base-Backbone interact. energy: -0.181 local terms energy: -519.776999 where: bonds (distance) C4'-P energy: -122.748 bonds (distance) P-C4' energy: -131.400 flat angles C4'-P-C4' energy: -129.667 flat angles P-C4'-P energy: -79.039 tors. eta vs tors. theta energy: -56.923 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: 3 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -1065.411300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.411300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.411300 (E_RNA) where: Base-Base interactions energy: -616.933 where: short stacking energy: -298.385 Base-Backbone interact. energy: -1.690 local terms energy: -446.788703 where: bonds (distance) C4'-P energy: -98.566 bonds (distance) P-C4' energy: -131.970 flat angles C4'-P-C4' energy: -107.929 flat angles P-C4'-P energy: -82.741 tors. eta vs tors. theta energy: -25.582 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: 7 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -2901.280104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.280104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.280104 (E_RNA) where: Base-Base interactions energy: -2034.742 where: short stacking energy: -868.731 Base-Backbone interact. energy: -2.807 local terms energy: -863.731129 where: bonds (distance) C4'-P energy: -141.421 bonds (distance) P-C4' energy: -154.264 flat angles C4'-P-C4' energy: -179.356 flat angles P-C4'-P energy: -131.691 tors. eta vs tors. theta energy: -256.999 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: 6 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -2857.937778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.937778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.937778 (E_RNA) where: Base-Base interactions energy: -2024.794 where: short stacking energy: -813.035 Base-Backbone interact. energy: -1.954 local terms energy: -831.189718 where: bonds (distance) C4'-P energy: -141.725 bonds (distance) P-C4' energy: -161.680 flat angles C4'-P-C4' energy: -182.954 flat angles P-C4'-P energy: -115.047 tors. eta vs tors. theta energy: -229.784 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: 10 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -2715.526028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.526028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.526028 (E_RNA) where: Base-Base interactions energy: -1879.652 where: short stacking energy: -807.067 Base-Backbone interact. energy: -3.210 local terms energy: -832.664162 where: bonds (distance) C4'-P energy: -147.232 bonds (distance) P-C4' energy: -169.625 flat angles C4'-P-C4' energy: -171.626 flat angles P-C4'-P energy: -117.067 tors. eta vs tors. theta energy: -227.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -2650.687076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.687076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.687076 (E_RNA) where: Base-Base interactions energy: -1834.309 where: short stacking energy: -800.662 Base-Backbone interact. energy: -2.252 local terms energy: -814.125639 where: bonds (distance) C4'-P energy: -151.718 bonds (distance) P-C4' energy: -155.536 flat angles C4'-P-C4' energy: -169.864 flat angles P-C4'-P energy: -109.954 tors. eta vs tors. theta energy: -227.054 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: 5, replica: 9 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -2482.740338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.740338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.740338 (E_RNA) where: Base-Base interactions energy: -1747.858 where: short stacking energy: -732.735 Base-Backbone interact. energy: -3.222 local terms energy: -731.660255 where: bonds (distance) C4'-P energy: -114.649 bonds (distance) P-C4' energy: -138.900 flat angles C4'-P-C4' energy: -161.009 flat angles P-C4'-P energy: -110.729 tors. eta vs tors. theta energy: -206.374 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: 5 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -2426.277749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.277749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.277749 (E_RNA) where: Base-Base interactions energy: -1656.494 where: short stacking energy: -713.674 Base-Backbone interact. energy: -0.911 local terms energy: -768.873334 where: bonds (distance) C4'-P energy: -148.534 bonds (distance) P-C4' energy: -161.970 flat angles C4'-P-C4' energy: -150.761 flat angles P-C4'-P energy: -108.566 tors. eta vs tors. theta energy: -199.042 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: 8 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -2081.594628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.594628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.594628 (E_RNA) where: Base-Base interactions energy: -1402.125 where: short stacking energy: -585.697 Base-Backbone interact. energy: -0.823 local terms energy: -678.646531 where: bonds (distance) C4'-P energy: -134.067 bonds (distance) P-C4' energy: -151.888 flat angles C4'-P-C4' energy: -161.588 flat angles P-C4'-P energy: -92.181 tors. eta vs tors. theta energy: -138.922 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: 8, replica: 2 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -1591.042114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.042114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.042114 (E_RNA) where: Base-Base interactions energy: -1008.230 where: short stacking energy: -473.845 Base-Backbone interact. energy: -1.434 local terms energy: -581.378823 where: bonds (distance) C4'-P energy: -143.948 bonds (distance) P-C4' energy: -135.246 flat angles C4'-P-C4' energy: -126.902 flat angles P-C4'-P energy: -79.386 tors. eta vs tors. theta energy: -95.897 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: 1 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -1518.064706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.064706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.064706 (E_RNA) where: Base-Base interactions energy: -981.818 where: short stacking energy: -434.846 Base-Backbone interact. energy: 1.398 local terms energy: -537.644186 where: bonds (distance) C4'-P energy: -127.149 bonds (distance) P-C4' energy: -138.635 flat angles C4'-P-C4' energy: -114.925 flat angles P-C4'-P energy: -80.534 tors. eta vs tors. theta energy: -76.401 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: 3 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -1132.245114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.245114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.245114 (E_RNA) where: Base-Base interactions energy: -655.806 where: short stacking energy: -337.988 Base-Backbone interact. energy: 1.190 local terms energy: -477.629309 where: bonds (distance) C4'-P energy: -127.168 bonds (distance) P-C4' energy: -145.689 flat angles C4'-P-C4' energy: -117.587 flat angles P-C4'-P energy: -56.280 tors. eta vs tors. theta energy: -30.907 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)