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/AC007686.4-54cea23b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/AC007686.4-54cea23b/inputs/seq.fa: 1 curr_seq: _ACUGAGACUAAGGUAGAAAAAGACACUUCCAAAGGGUGUCAAUGACAAGAGAGAAAUAGACAUAGAGUGGUCACUUCAUUUACCAACCCUGGAACCGCAGACCUCUGGGCUUCCUGGCUCUAGGAAUGCAGUGCAAGACAGGCAAGGUUCUUGCUCAUACAGAGCUUCUAGAAACCUGGGAUACAGAGAUGCAAUCAAGUGAUAAAACACAUGGAUGAAGGCUCUGCCAUUGAACACAUGGUUCUUGACAAGCCCACAGAGAGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUGAGACUAAGGUAGAAAAAGACACUUCCAAAGGGUGUCAAUGACAAGAGAGAAAUAGACAUAGAGUGGUCACUUCAUUUACCAACCCUGGAACCGCAGACCUCUGGGCUUCCUGGCUCUAGGAAUGCAGUGCAAGACAGGCAAGGUUCUUGCUCAUACAGAGCUUCUAGAAACCUGGGAUACAGAGAUGCAAUCAAGUGAUAAAACACAUGGAUGAAGGCUCUGCCAUUGAACACAUGGUUCUUGACAAGCCCACAGAGAGG 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/AC007686.4-54cea23b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/AC007686.4-54cea23b/inputs/seq.fa: 1 curr_seq: _ACUGAGACUAAGGUAGAAAAAGACACUUCCAAAGGGUGUCAAUGACAAGAGAGAAAUAGACAUAGAGUGGUCACUUCAUUUACCAACCCUGGAACCGCAGACCUCUGGGCUUCCUGGCUCUAGGAAUGCAGUGCAAGACAGGCAAGGUUCUUGCUCAUACAGAGCUUCUAGAAACCUGGGAUACAGAGAUGCAAUCAAGUGAUAAAACACAUGGAUGAAGGCUCUGCCAUUGAACACAUGGUUCUUGACAAGCCCACAGAGAGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUGAGACUAAGGUAGAAAAAGACACUUCCAAAGGGUGUCAAUGACAAGAGAGAAAUAGACAUAGAGUGGUCACUUCAUUUACCAACCCUGGAACCGCAGACCUCUGGGCUUCCUGGCUCUAGGAAUGCAGUGCAAGACAGGCAAGGUUCUUGCUCAUACAGAGCUUCUAGAAACCUGGGAUACAGAGAUGCAAUCAAGUGAUAAAACACAUGGAUGAAGGCUCUGCCAUUGAACACAUGGUUCUUGACAAGCCCACAGAGAGG 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/AC007686.4-54cea23b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/AC007686.4-54cea23b/inputs/seq.fa: 1 curr_seq: _ACUGAGACUAAGGUAGAAAAAGACACUUCCAAAGGGUGUCAAUGACAAGAGAGAAAUAGACAUAGAGUGGUCACUUCAUUUACCAACCCUGGAACCGCAGACCUCUGGGCUUCCUGGCUCUAGGAAUGCAGUGCAAGACAGGCAAGGUUCUUGCUCAUACAGAGCUUCUAGAAACCUGGGAUACAGAGAUGCAAUCAAGUGAUAAAACACAUGGAUGAAGGCUCUGCCAUUGAACACAUGGUUCUUGACAAGCCCACAGAGAGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUGAGACUAAGGUAGAAAAAGACACUUCCAAAGGGUGUCAAUGACAAGAGAGAAAUAGACAUAGAGUGGUCACUUCAUUUACCAACCCUGGAACCGCAGACCUCUGGGCUUCCUGGCUCUAGGAAUGCAGUGCAAGACAGGCAAGGUUCUUGCUCAUACAGAGCUUCUAGAAACCUGGGAUACAGAGAUGCAAUCAAGUGAUAAAACACAUGGAUGAAGGCUCUGCCAUUGAACACAUGGUUCUUGACAAGCCCACAGAGAGG 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/AC007686.4-54cea23b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/AC007686.4-54cea23b/inputs/seq.fa: 1 curr_seq: _ACUGAGACUAAGGUAGAAAAAGACACUUCCAAAGGGUGUCAAUGACAAGAGAGAAAUAGACAUAGAGUGGUCACUUCAUUUACCAACCCUGGAACCGCAGACCUCUGGGCUUCCUGGCUCUAGGAAUGCAGUGCAAGACAGGCAAGGUUCUUGCUCAUACAGAGCUUCUAGAAACCUGGGAUACAGAGAUGCAAUCAAGUGAUAAAACACAUGGAUGAAGGCUCUGCCAUUGAACACAUGGUUCUUGACAAGCCCACAGAGAGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUGAGACUAAGGUAGAAAAAGACACUUCCAAAGGGUGUCAAUGACAAGAGAGAAAUAGACAUAGAGUGGUCACUUCAUUUACCAACCCUGGAACCGCAGACCUCUGGGCUUCCUGGCUCUAGGAAUGCAGUGCAAGACAGGCAAGGUUCUUGCUCAUACAGAGCUUCUAGAAACCUGGGAUACAGAGAUGCAAUCAAGUGAUAAAACACAUGGAUGAAGGCUCUGCCAUUGAACACAUGGUUCUUGACAAGCCCACAGAGAGG 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/AC007686.4-54cea23b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/AC007686.4-54cea23b/inputs/seq.fa: 1 curr_seq: _ACUGAGACUAAGGUAGAAAAAGACACUUCCAAAGGGUGUCAAUGACAAGAGAGAAAUAGACAUAGAGUGGUCACUUCAUUUACCAACCCUGGAACCGCAGACCUCUGGGCUUCCUGGCUCUAGGAAUGCAGUGCAAGACAGGCAAGGUUCUUGCUCAUACAGAGCUUCUAGAAACCUGGGAUACAGAGAUGCAAUCAAGUGAUAAAACACAUGGAUGAAGGCUCUGCCAUUGAACACAUGGUUCUUGACAAGCCCACAGAGAGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUGAGACUAAGGUAGAAAAAGACACUUCCAAAGGGUGUCAAUGACAAGAGAGAAAUAGACAUAGAGUGGUCACUUCAUUUACCAACCCUGGAACCGCAGACCUCUGGGCUUCCUGGCUCUAGGAAUGCAGUGCAAGACAGGCAAGGUUCUUGCUCAUACAGAGCUUCUAGAAACCUGGGAUACAGAGAUGCAAUCAAGUGAUAAAACACAUGGAUGAAGGCUCUGCCAUUGAACACAUGGUUCUUGACAAGCCCACAGAGAGG 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/AC007686.4-54cea23b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/AC007686.4-54cea23b/inputs/seq.fa: 1 curr_seq: _ACUGAGACUAAGGUAGAAAAAGACACUUCCAAAGGGUGUCAAUGACAAGAGAGAAAUAGACAUAGAGUGGUCACUUCAUUUACCAACCCUGGAACCGCAGACCUCUGGGCUUCCUGGCUCUAGGAAUGCAGUGCAAGACAGGCAAGGUUCUUGCUCAUACAGAGCUUCUAGAAACCUGGGAUACAGAGAUGCAAUCAAGUGAUAAAACACAUGGAUGAAGGCUCUGCCAUUGAACACAUGGUUCUUGACAAGCCCACAGAGAGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUGAGACUAAGGUAGAAAAAGACACUUCCAAAGGGUGUCAAUGACAAGAGAGAAAUAGACAUAGAGUGGUCACUUCAUUUACCAACCCUGGAACCGCAGACCUCUGGGCUUCCUGGCUCUAGGAAUGCAGUGCAAGACAGGCAAGGUUCUUGCUCAUACAGAGCUUCUAGAAACCUGGGAUACAGAGAUGCAAUCAAGUGAUAAAACACAUGGAUGAAGGCUCUGCCAUUGAACACAUGGUUCUUGACAAGCCCACAGAGAGG 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/AC007686.4-54cea23b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/AC007686.4-54cea23b/inputs/seq.fa: 1 curr_seq: _ACUGAGACUAAGGUAGAAAAAGACACUUCCAAAGGGUGUCAAUGACAAGAGAGAAAUAGACAUAGAGUGGUCACUUCAUUUACCAACCCUGGAACCGCAGACCUCUGGGCUUCCUGGCUCUAGGAAUGCAGUGCAAGACAGGCAAGGUUCUUGCUCAUACAGAGCUUCUAGAAACCUGGGAUACAGAGAUGCAAUCAAGUGAUAAAACACAUGGAUGAAGGCUCUGCCAUUGAACACAUGGUUCUUGACAAGCCCACAGAGAGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUGAGACUAAGGUAGAAAAAGACACUUCCAAAGGGUGUCAAUGACAAGAGAGAAAUAGACAUAGAGUGGUCACUUCAUUUACCAACCCUGGAACCGCAGACCUCUGGGCUUCCUGGCUCUAGGAAUGCAGUGCAAGACAGGCAAGGUUCUUGCUCAUACAGAGCUUCUAGAAACCUGGGAUACAGAGAUGCAAUCAAGUGAUAAAACACAUGGAUGAAGGCUCUGCCAUUGAACACAUGGUUCUUGACAAGCCCACAGAGAGG 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/AC007686.4-54cea23b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/AC007686.4-54cea23b/inputs/seq.fa: 1 curr_seq: _ACUGAGACUAAGGUAGAAAAAGACACUUCCAAAGGGUGUCAAUGACAAGAGAGAAAUAGACAUAGAGUGGUCACUUCAUUUACCAACCCUGGAACCGCAGACCUCUGGGCUUCCUGGCUCUAGGAAUGCAGUGCAAGACAGGCAAGGUUCUUGCUCAUACAGAGCUUCUAGAAACCUGGGAUACAGAGAUGCAAUCAAGUGAUAAAACACAUGGAUGAAGGCUCUGCCAUUGAACACAUGGUUCUUGACAAGCCCACAGAGAGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUGAGACUAAGGUAGAAAAAGACACUUCCAAAGGGUGUCAAUGACAAGAGAGAAAUAGACAUAGAGUGGUCACUUCAUUUACCAACCCUGGAACCGCAGACCUCUGGGCUUCCUGGCUCUAGGAAUGCAGUGCAAGACAGGCAAGGUUCUUGCUCAUACAGAGCUUCUAGAAACCUGGGAUACAGAGAUGCAAUCAAGUGAUAAAACACAUGGAUGAAGGCUCUGCCAUUGAACACAUGGUUCUUGACAAGCCCACAGAGAGG 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/AC007686.4-54cea23b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/AC007686.4-54cea23b/inputs/seq.fa: 1 curr_seq: _ACUGAGACUAAGGUAGAAAAAGACACUUCCAAAGGGUGUCAAUGACAAGAGAGAAAUAGACAUAGAGUGGUCACUUCAUUUACCAACCCUGGAACCGCAGACCUCUGGGCUUCCUGGCUCUAGGAAUGCAGUGCAAGACAGGCAAGGUUCUUGCUCAUACAGAGCUUCUAGAAACCUGGGAUACAGAGAUGCAAUCAAGUGAUAAAACACAUGGAUGAAGGCUCUGCCAUUGAACACAUGGUUCUUGACAAGCCCACAGAGAGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUGAGACUAAGGUAGAAAAAGACACUUCCAAAGGGUGUCAAUGACAAGAGAGAAAUAGACAUAGAGUGGUCACUUCAUUUACCAACCCUGGAACCGCAGACCUCUGGGCUUCCUGGCUCUAGGAAUGCAGUGCAAGACAGGCAAGGUUCUUGCUCAUACAGAGCUUCUAGAAACCUGGGAUACAGAGAUGCAAUCAAGUGAUAAAACACAUGGAUGAAGGCUCUGCCAUUGAACACAUGGUUCUUGACAAGCCCACAGAGAGG 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/AC007686.4-54cea23b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/AC007686.4-54cea23b/inputs/seq.fa: 1 curr_seq: _ACUGAGACUAAGGUAGAAAAAGACACUUCCAAAGGGUGUCAAUGACAAGAGAGAAAUAGACAUAGAGUGGUCACUUCAUUUACCAACCCUGGAACCGCAGACCUCUGGGCUUCCUGGCUCUAGGAAUGCAGUGCAAGACAGGCAAGGUUCUUGCUCAUACAGAGCUUCUAGAAACCUGGGAUACAGAGAUGCAAUCAAGUGAUAAAACACAUGGAUGAAGGCUCUGCCAUUGAACACAUGGUUCUUGACAAGCCCACAGAGAGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUGAGACUAAGGUAGAAAAAGACACUUCCAAAGGGUGUCAAUGACAAGAGAGAAAUAGACAUAGAGUGGUCACUUCAUUUACCAACCCUGGAACCGCAGACCUCUGGGCUUCCUGGCUCUAGGAAUGCAGUGCAAGACAGGCAAGGUUCUUGCUCAUACAGAGCUUCUAGAAACCUGGGAUACAGAGAUGCAAUCAAGUGAUAAAACACAUGGAUGAAGGCUCUGCCAUUGAACACAUGGUUCUUGACAAGCCCACAGAGAGG 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: -1075.107694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.107694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.107694 (E_RNA) where: Base-Base interactions energy: -47.699 where: short stacking energy: -47.699 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: -1075.107694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.107694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.107694 (E_RNA) where: Base-Base interactions energy: -47.699 where: short stacking energy: -47.699 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: -1075.107694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.107694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.107694 (E_RNA) where: Base-Base interactions energy: -47.699 where: short stacking energy: -47.699 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: -1075.107694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.107694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.107694 (E_RNA) where: Base-Base interactions energy: -47.699 where: short stacking energy: -47.699 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: -1075.107694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.107694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.107694 (E_RNA) where: Base-Base interactions energy: -47.699 where: short stacking energy: -47.699 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: -1075.107694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.107694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.107694 (E_RNA) where: Base-Base interactions energy: -47.699 where: short stacking energy: -47.699 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: -1075.107694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.107694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.107694 (E_RNA) where: Base-Base interactions energy: -47.699 where: short stacking energy: -47.699 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: -1075.107694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.107694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.107694 (E_RNA) where: Base-Base interactions energy: -47.699 where: short stacking energy: -47.699 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: -1075.107694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.107694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.107694 (E_RNA) where: Base-Base interactions energy: -47.699 where: short stacking energy: -47.699 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: -1075.107694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.107694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.107694 (E_RNA) where: Base-Base interactions energy: -47.699 where: short stacking energy: -47.699 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: -1247.832152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.832152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.832152 (E_RNA) where: Base-Base interactions energy: -517.234 where: short stacking energy: -509.087 Base-Backbone interact. energy: -0.551 local terms energy: -730.047200 where: bonds (distance) C4'-P energy: -161.669 bonds (distance) P-C4' energy: -172.959 flat angles C4'-P-C4' energy: -166.549 flat angles P-C4'-P energy: -102.209 tors. eta vs tors. theta energy: -126.662 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: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -1211.809167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.809167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.809167 (E_RNA) where: Base-Base interactions energy: -487.446 where: short stacking energy: -478.843 Base-Backbone interact. energy: -0.100 local terms energy: -724.262967 where: bonds (distance) C4'-P energy: -164.006 bonds (distance) P-C4' energy: -171.400 flat angles C4'-P-C4' energy: -161.775 flat angles P-C4'-P energy: -105.617 tors. eta vs tors. theta energy: -121.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -1125.496323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.496323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.496323 (E_RNA) where: Base-Base interactions energy: -431.986 where: short stacking energy: -426.910 Base-Backbone interact. energy: -0.990 local terms energy: -692.519825 where: bonds (distance) C4'-P energy: -164.431 bonds (distance) P-C4' energy: -172.578 flat angles C4'-P-C4' energy: -142.956 flat angles P-C4'-P energy: -102.371 tors. eta vs tors. theta energy: -110.184 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: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -1079.106606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.106606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.106606 (E_RNA) where: Base-Base interactions energy: -74.987 where: short stacking energy: -74.987 Base-Backbone interact. energy: -0.000 local terms energy: -1004.119738 where: bonds (distance) C4'-P energy: -249.459 bonds (distance) P-C4' energy: -220.391 flat angles C4'-P-C4' energy: -191.708 flat angles P-C4'-P energy: -218.630 tors. eta vs tors. theta energy: -123.932 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: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -1077.489394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.489394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.489394 (E_RNA) where: Base-Base interactions energy: -50.501 where: short stacking energy: -50.501 Base-Backbone interact. energy: -0.000 local terms energy: -1026.988185 where: bonds (distance) C4'-P energy: -256.381 bonds (distance) P-C4' energy: -237.069 flat angles C4'-P-C4' energy: -193.344 flat angles P-C4'-P energy: -221.474 tors. eta vs tors. theta energy: -118.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -1077.431995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.431995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.431995 (E_RNA) where: Base-Base interactions energy: -50.602 where: short stacking energy: -50.602 Base-Backbone interact. energy: -0.000 local terms energy: -1026.830199 where: bonds (distance) C4'-P energy: -256.381 bonds (distance) P-C4' energy: -237.069 flat angles C4'-P-C4' energy: -193.344 flat angles P-C4'-P energy: -221.474 tors. eta vs tors. theta energy: -118.562 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: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -1077.179941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.179941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.179941 (E_RNA) where: Base-Base interactions energy: -50.600 where: short stacking energy: -50.600 Base-Backbone interact. energy: -0.000 local terms energy: -1026.579288 where: bonds (distance) C4'-P energy: -256.381 bonds (distance) P-C4' energy: -237.069 flat angles C4'-P-C4' energy: -193.055 flat angles P-C4'-P energy: -221.511 tors. eta vs tors. theta energy: -118.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -1077.300838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.300838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.300838 (E_RNA) where: Base-Base interactions energy: -50.721 where: short stacking energy: -50.721 Base-Backbone interact. energy: -0.000 local terms energy: -1026.579288 where: bonds (distance) C4'-P energy: -256.381 bonds (distance) P-C4' energy: -237.069 flat angles C4'-P-C4' energy: -193.055 flat angles P-C4'-P energy: -221.511 tors. eta vs tors. theta energy: -118.562 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: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -1077.299563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.299563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.299563 (E_RNA) where: Base-Base interactions energy: -50.720 where: short stacking energy: -50.720 Base-Backbone interact. energy: -0.000 local terms energy: -1026.579288 where: bonds (distance) C4'-P energy: -256.381 bonds (distance) P-C4' energy: -237.069 flat angles C4'-P-C4' energy: -193.055 flat angles P-C4'-P energy: -221.511 tors. eta vs tors. theta energy: -118.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -1077.164504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.164504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.164504 (E_RNA) where: Base-Base interactions energy: -50.719 where: short stacking energy: -50.719 Base-Backbone interact. energy: -0.000 local terms energy: -1026.445530 where: bonds (distance) C4'-P energy: -256.381 bonds (distance) P-C4' energy: -237.069 flat angles C4'-P-C4' energy: -193.055 flat angles P-C4'-P energy: -221.378 tors. eta vs tors. theta energy: -118.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -1278.959127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.959127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.959127 (E_RNA) where: Base-Base interactions energy: -532.726 where: short stacking energy: -530.717 Base-Backbone interact. energy: -0.386 local terms energy: -745.847334 where: bonds (distance) C4'-P energy: -157.086 bonds (distance) P-C4' energy: -173.123 flat angles C4'-P-C4' energy: -173.623 flat angles P-C4'-P energy: -101.783 tors. eta vs tors. theta energy: -140.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -1210.991147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.991147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.991147 (E_RNA) where: Base-Base interactions energy: -488.666 where: short stacking energy: -484.323 Base-Backbone interact. energy: 0.633 local terms energy: -722.958120 where: bonds (distance) C4'-P energy: -154.633 bonds (distance) P-C4' energy: -168.155 flat angles C4'-P-C4' energy: -157.192 flat angles P-C4'-P energy: -114.285 tors. eta vs tors. theta energy: -128.692 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: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -1157.457136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.457136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.457136 (E_RNA) where: Base-Base interactions energy: -476.399 where: short stacking energy: -473.870 Base-Backbone interact. energy: 0.866 local terms energy: -681.923455 where: bonds (distance) C4'-P energy: -145.869 bonds (distance) P-C4' energy: -149.549 flat angles C4'-P-C4' energy: -163.276 flat angles P-C4'-P energy: -106.666 tors. eta vs tors. theta energy: -116.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -1031.394320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.394320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.394320 (E_RNA) where: Base-Base interactions energy: -417.164 where: short stacking energy: -412.932 Base-Backbone interact. energy: -0.504 local terms energy: -613.726892 where: bonds (distance) C4'-P energy: -140.673 bonds (distance) P-C4' energy: -159.670 flat angles C4'-P-C4' energy: -143.311 flat angles P-C4'-P energy: -85.546 tors. eta vs tors. theta energy: -84.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -938.770417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.770417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.770417 (E_RNA) where: Base-Base interactions energy: -334.742 where: short stacking energy: -318.712 Base-Backbone interact. energy: -1.415 local terms energy: -602.612937 where: bonds (distance) C4'-P energy: -154.120 bonds (distance) P-C4' energy: -154.443 flat angles C4'-P-C4' energy: -148.183 flat angles P-C4'-P energy: -93.326 tors. eta vs tors. theta energy: -52.542 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: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -869.111194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.111194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.111194 (E_RNA) where: Base-Base interactions energy: -331.416 where: short stacking energy: -291.014 Base-Backbone interact. energy: 0.651 local terms energy: -538.346110 where: bonds (distance) C4'-P energy: -147.266 bonds (distance) P-C4' energy: -139.121 flat angles C4'-P-C4' energy: -140.225 flat angles P-C4'-P energy: -82.834 tors. eta vs tors. theta energy: -28.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -773.463995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.463995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.463995 (E_RNA) where: Base-Base interactions energy: -299.206 where: short stacking energy: -292.275 Base-Backbone interact. energy: -2.138 local terms energy: -472.120076 where: bonds (distance) C4'-P energy: -131.052 bonds (distance) P-C4' energy: -144.675 flat angles C4'-P-C4' energy: -104.419 flat angles P-C4'-P energy: -67.178 tors. eta vs tors. theta energy: -24.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -737.838201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.838201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.838201 (E_RNA) where: Base-Base interactions energy: -274.363 where: short stacking energy: -234.010 Base-Backbone interact. energy: 2.514 local terms energy: -465.988813 where: bonds (distance) C4'-P energy: -132.463 bonds (distance) P-C4' energy: -150.694 flat angles C4'-P-C4' energy: -117.527 flat angles P-C4'-P energy: -56.366 tors. eta vs tors. theta energy: -8.938 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: 9, replica: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -662.949712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.949712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.949712 (E_RNA) where: Base-Base interactions energy: -212.874 where: short stacking energy: -200.466 Base-Backbone interact. energy: -0.346 local terms energy: -449.729536 where: bonds (distance) C4'-P energy: -107.411 bonds (distance) P-C4' energy: -149.394 flat angles C4'-P-C4' energy: -134.457 flat angles P-C4'-P energy: -61.033 tors. eta vs tors. theta energy: 2.564 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: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -598.910281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.910281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.910281 (E_RNA) where: Base-Base interactions energy: -180.738 where: short stacking energy: -165.361 Base-Backbone interact. energy: -1.799 local terms energy: -416.373210 where: bonds (distance) C4'-P energy: -102.843 bonds (distance) P-C4' energy: -141.864 flat angles C4'-P-C4' energy: -126.321 flat angles P-C4'-P energy: -71.420 tors. eta vs tors. theta energy: 26.075 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: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -1320.399164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.399164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.399164 (E_RNA) where: Base-Base interactions energy: -556.585 where: short stacking energy: -555.453 Base-Backbone interact. energy: -0.022 local terms energy: -763.792257 where: bonds (distance) C4'-P energy: -170.536 bonds (distance) P-C4' energy: -166.122 flat angles C4'-P-C4' energy: -169.264 flat angles P-C4'-P energy: -115.628 tors. eta vs tors. theta energy: -142.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -1266.717796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.717796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.717796 (E_RNA) where: Base-Base interactions energy: -561.685 where: short stacking energy: -518.140 Base-Backbone interact. energy: -0.399 local terms energy: -704.633537 where: bonds (distance) C4'-P energy: -162.487 bonds (distance) P-C4' energy: -153.058 flat angles C4'-P-C4' energy: -165.271 flat angles P-C4'-P energy: -99.295 tors. eta vs tors. theta energy: -124.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -1112.407833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.407833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.407833 (E_RNA) where: Base-Base interactions energy: -469.003 where: short stacking energy: -388.403 Base-Backbone interact. energy: -1.746 local terms energy: -641.658493 where: bonds (distance) C4'-P energy: -163.591 bonds (distance) P-C4' energy: -154.142 flat angles C4'-P-C4' energy: -153.862 flat angles P-C4'-P energy: -98.435 tors. eta vs tors. theta energy: -71.629 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: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -1024.774686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.774686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.774686 (E_RNA) where: Base-Base interactions energy: -435.466 where: short stacking energy: -403.736 Base-Backbone interact. energy: -2.461 local terms energy: -586.847391 where: bonds (distance) C4'-P energy: -144.521 bonds (distance) P-C4' energy: -155.677 flat angles C4'-P-C4' energy: -131.508 flat angles P-C4'-P energy: -91.092 tors. eta vs tors. theta energy: -64.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -931.173152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.173152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.173152 (E_RNA) where: Base-Base interactions energy: -378.257 where: short stacking energy: -355.698 Base-Backbone interact. energy: -1.609 local terms energy: -551.307647 where: bonds (distance) C4'-P energy: -137.672 bonds (distance) P-C4' energy: -156.111 flat angles C4'-P-C4' energy: -144.462 flat angles P-C4'-P energy: -71.620 tors. eta vs tors. theta energy: -41.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -873.814625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.814625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.814625 (E_RNA) where: Base-Base interactions energy: -322.256 where: short stacking energy: -296.072 Base-Backbone interact. energy: -1.521 local terms energy: -550.037444 where: bonds (distance) C4'-P energy: -152.246 bonds (distance) P-C4' energy: -148.217 flat angles C4'-P-C4' energy: -130.210 flat angles P-C4'-P energy: -89.695 tors. eta vs tors. theta energy: -29.669 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: 7 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -757.156472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.156472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.156472 (E_RNA) where: Base-Base interactions energy: -251.381 where: short stacking energy: -239.865 Base-Backbone interact. energy: 3.084 local terms energy: -508.860081 where: bonds (distance) C4'-P energy: -140.671 bonds (distance) P-C4' energy: -143.949 flat angles C4'-P-C4' energy: -134.935 flat angles P-C4'-P energy: -82.248 tors. eta vs tors. theta energy: -7.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -710.430252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.430252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.430252 (E_RNA) where: Base-Base interactions energy: -243.592 where: short stacking energy: -226.728 Base-Backbone interact. energy: -1.181 local terms energy: -465.657110 where: bonds (distance) C4'-P energy: -149.751 bonds (distance) P-C4' energy: -148.033 flat angles C4'-P-C4' energy: -113.718 flat angles P-C4'-P energy: -57.201 tors. eta vs tors. theta energy: 3.046 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: 4 Temperature: 1.300000 Total energy: -671.711353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.711353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.711353 (E_RNA) where: Base-Base interactions energy: -270.498 where: short stacking energy: -208.811 Base-Backbone interact. energy: -1.455 local terms energy: -399.758635 where: bonds (distance) C4'-P energy: -113.316 bonds (distance) P-C4' energy: -116.424 flat angles C4'-P-C4' energy: -113.179 flat angles P-C4'-P energy: -76.637 tors. eta vs tors. theta energy: 19.798 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: 10, replica: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -601.175508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.175508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.175508 (E_RNA) where: Base-Base interactions energy: -202.641 where: short stacking energy: -179.571 Base-Backbone interact. energy: 3.227 local terms energy: -401.761569 where: bonds (distance) C4'-P energy: -124.093 bonds (distance) P-C4' energy: -135.619 flat angles C4'-P-C4' energy: -110.697 flat angles P-C4'-P energy: -65.954 tors. eta vs tors. theta energy: 34.602 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: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -1345.859730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.859730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.859730 (E_RNA) where: Base-Base interactions energy: -609.689 where: short stacking energy: -572.908 Base-Backbone interact. energy: -0.362 local terms energy: -735.809440 where: bonds (distance) C4'-P energy: -159.753 bonds (distance) P-C4' energy: -166.779 flat angles C4'-P-C4' energy: -164.935 flat angles P-C4'-P energy: -97.429 tors. eta vs tors. theta energy: -146.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -1283.870844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.870844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.870844 (E_RNA) where: Base-Base interactions energy: -597.754 where: short stacking energy: -521.023 Base-Backbone interact. energy: -0.534 local terms energy: -685.582800 where: bonds (distance) C4'-P energy: -149.342 bonds (distance) P-C4' energy: -154.912 flat angles C4'-P-C4' energy: -167.119 flat angles P-C4'-P energy: -95.968 tors. eta vs tors. theta energy: -118.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -1183.837874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.837874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.837874 (E_RNA) where: Base-Base interactions energy: -538.254 where: short stacking energy: -465.279 Base-Backbone interact. energy: -3.062 local terms energy: -642.521693 where: bonds (distance) C4'-P energy: -148.419 bonds (distance) P-C4' energy: -147.340 flat angles C4'-P-C4' energy: -159.992 flat angles P-C4'-P energy: -99.488 tors. eta vs tors. theta energy: -87.282 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: 4, replica: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -1046.584844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.584844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.584844 (E_RNA) where: Base-Base interactions energy: -463.666 where: short stacking energy: -382.830 Base-Backbone interact. energy: -2.442 local terms energy: -580.477675 where: bonds (distance) C4'-P energy: -137.199 bonds (distance) P-C4' energy: -156.077 flat angles C4'-P-C4' energy: -143.416 flat angles P-C4'-P energy: -94.964 tors. eta vs tors. theta energy: -48.821 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: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -958.297608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.297608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.297608 (E_RNA) where: Base-Base interactions energy: -416.817 where: short stacking energy: -355.334 Base-Backbone interact. energy: -0.220 local terms energy: -541.261284 where: bonds (distance) C4'-P energy: -140.228 bonds (distance) P-C4' energy: -130.030 flat angles C4'-P-C4' energy: -153.336 flat angles P-C4'-P energy: -70.102 tors. eta vs tors. theta energy: -47.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -869.271665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.271665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.271665 (E_RNA) where: Base-Base interactions energy: -347.010 where: short stacking energy: -316.847 Base-Backbone interact. energy: 1.099 local terms energy: -523.360796 where: bonds (distance) C4'-P energy: -137.260 bonds (distance) P-C4' energy: -135.981 flat angles C4'-P-C4' energy: -131.576 flat angles P-C4'-P energy: -76.191 tors. eta vs tors. theta energy: -42.354 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: 7, replica: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -779.396666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.396666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.396666 (E_RNA) where: Base-Base interactions energy: -277.864 where: short stacking energy: -250.464 Base-Backbone interact. energy: 0.900 local terms energy: -502.432431 where: bonds (distance) C4'-P energy: -125.436 bonds (distance) P-C4' energy: -151.737 flat angles C4'-P-C4' energy: -126.528 flat angles P-C4'-P energy: -82.483 tors. eta vs tors. theta energy: -16.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -736.541390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.541390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.541390 (E_RNA) where: Base-Base interactions energy: -269.547 where: short stacking energy: -213.266 Base-Backbone interact. energy: -0.045 local terms energy: -466.949574 where: bonds (distance) C4'-P energy: -135.962 bonds (distance) P-C4' energy: -160.181 flat angles C4'-P-C4' energy: -110.944 flat angles P-C4'-P energy: -66.596 tors. eta vs tors. theta energy: 6.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -652.408851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.408851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.408851 (E_RNA) where: Base-Base interactions energy: -205.075 where: short stacking energy: -184.904 Base-Backbone interact. energy: 8.420 local terms energy: -455.754322 where: bonds (distance) C4'-P energy: -128.236 bonds (distance) P-C4' energy: -144.794 flat angles C4'-P-C4' energy: -131.522 flat angles P-C4'-P energy: -84.209 tors. eta vs tors. theta energy: 33.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -589.067738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.067738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.067738 (E_RNA) where: Base-Base interactions energy: -205.064 where: short stacking energy: -193.755 Base-Backbone interact. energy: 3.612 local terms energy: -387.615540 where: bonds (distance) C4'-P energy: -113.869 bonds (distance) P-C4' energy: -120.406 flat angles C4'-P-C4' energy: -97.974 flat angles P-C4'-P energy: -72.834 tors. eta vs tors. theta energy: 17.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1388.916118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.916118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.916118 (E_RNA) where: Base-Base interactions energy: -667.100 where: short stacking energy: -592.033 Base-Backbone interact. energy: -2.800 local terms energy: -719.016217 where: bonds (distance) C4'-P energy: -155.919 bonds (distance) P-C4' energy: -154.759 flat angles C4'-P-C4' energy: -147.368 flat angles P-C4'-P energy: -110.351 tors. eta vs tors. theta energy: -150.619 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: 2, replica: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -1358.477350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.477350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.477350 (E_RNA) where: Base-Base interactions energy: -677.908 where: short stacking energy: -528.726 Base-Backbone interact. energy: -1.198 local terms energy: -679.371767 where: bonds (distance) C4'-P energy: -144.615 bonds (distance) P-C4' energy: -157.336 flat angles C4'-P-C4' energy: -155.528 flat angles P-C4'-P energy: -98.990 tors. eta vs tors. theta energy: -122.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -1308.208755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.208755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.208755 (E_RNA) where: Base-Base interactions energy: -638.059 where: short stacking energy: -441.602 Base-Backbone interact. energy: -1.804 local terms energy: -668.345675 where: bonds (distance) C4'-P energy: -159.704 bonds (distance) P-C4' energy: -148.535 flat angles C4'-P-C4' energy: -156.604 flat angles P-C4'-P energy: -115.168 tors. eta vs tors. theta energy: -88.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -1110.852567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.852567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.852567 (E_RNA) where: Base-Base interactions energy: -486.483 where: short stacking energy: -386.370 Base-Backbone interact. energy: -1.450 local terms energy: -622.919224 where: bonds (distance) C4'-P energy: -130.181 bonds (distance) P-C4' energy: -172.928 flat angles C4'-P-C4' energy: -150.181 flat angles P-C4'-P energy: -104.506 tors. eta vs tors. theta energy: -65.122 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: 6 Temperature: 1.100000 Total energy: -1026.271650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.271650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.271650 (E_RNA) where: Base-Base interactions energy: -411.326 where: short stacking energy: -350.455 Base-Backbone interact. energy: 0.004 local terms energy: -614.949880 where: bonds (distance) C4'-P energy: -163.294 bonds (distance) P-C4' energy: -156.240 flat angles C4'-P-C4' energy: -134.638 flat angles P-C4'-P energy: -98.180 tors. eta vs tors. theta energy: -62.598 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: 6 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -854.267603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.267603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.267603 (E_RNA) where: Base-Base interactions energy: -342.408 where: short stacking energy: -304.432 Base-Backbone interact. energy: -0.264 local terms energy: -511.595002 where: bonds (distance) C4'-P energy: -136.864 bonds (distance) P-C4' energy: -143.317 flat angles C4'-P-C4' energy: -138.654 flat angles P-C4'-P energy: -86.266 tors. eta vs tors. theta energy: -6.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -768.164221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.164221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.164221 (E_RNA) where: Base-Base interactions energy: -300.281 where: short stacking energy: -228.108 Base-Backbone interact. energy: 1.480 local terms energy: -469.363237 where: bonds (distance) C4'-P energy: -147.290 bonds (distance) P-C4' energy: -133.311 flat angles C4'-P-C4' energy: -132.183 flat angles P-C4'-P energy: -67.636 tors. eta vs tors. theta energy: 11.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -727.111467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.111467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.111467 (E_RNA) where: Base-Base interactions energy: -284.740 where: short stacking energy: -251.884 Base-Backbone interact. energy: 3.292 local terms energy: -445.663335 where: bonds (distance) C4'-P energy: -117.819 bonds (distance) P-C4' energy: -142.849 flat angles C4'-P-C4' energy: -110.852 flat angles P-C4'-P energy: -72.523 tors. eta vs tors. theta energy: -1.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -649.448221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.448221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.448221 (E_RNA) where: Base-Base interactions energy: -228.223 where: short stacking energy: -172.832 Base-Backbone interact. energy: -0.699 local terms energy: -420.525520 where: bonds (distance) C4'-P energy: -119.905 bonds (distance) P-C4' energy: -127.376 flat angles C4'-P-C4' energy: -116.492 flat angles P-C4'-P energy: -92.171 tors. eta vs tors. theta energy: 35.418 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: 9 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -641.793512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.793512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.793512 (E_RNA) where: Base-Base interactions energy: -232.322 where: short stacking energy: -196.018 Base-Backbone interact. energy: -0.429 local terms energy: -409.042043 where: bonds (distance) C4'-P energy: -121.016 bonds (distance) P-C4' energy: -133.164 flat angles C4'-P-C4' energy: -100.067 flat angles P-C4'-P energy: -69.141 tors. eta vs tors. theta energy: 14.346 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: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1444.225699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.225699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.225699 (E_RNA) where: Base-Base interactions energy: -665.049 where: short stacking energy: -622.615 Base-Backbone interact. energy: 1.110 local terms energy: -780.286011 where: bonds (distance) C4'-P energy: -159.262 bonds (distance) P-C4' energy: -166.067 flat angles C4'-P-C4' energy: -173.373 flat angles P-C4'-P energy: -115.964 tors. eta vs tors. theta energy: -165.619 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: 2, replica: 2 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -1375.298535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.298535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.298535 (E_RNA) where: Base-Base interactions energy: -653.447 where: short stacking energy: -506.316 Base-Backbone interact. energy: -0.790 local terms energy: -721.061322 where: bonds (distance) C4'-P energy: -163.038 bonds (distance) P-C4' energy: -163.530 flat angles C4'-P-C4' energy: -179.322 flat angles P-C4'-P energy: -107.615 tors. eta vs tors. theta energy: -107.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -1382.762498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.762498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.762498 (E_RNA) where: Base-Base interactions energy: -715.184 where: short stacking energy: -498.737 Base-Backbone interact. energy: 1.413 local terms energy: -668.991536 where: bonds (distance) C4'-P energy: -148.432 bonds (distance) P-C4' energy: -180.494 flat angles C4'-P-C4' energy: -162.672 flat angles P-C4'-P energy: -79.995 tors. eta vs tors. theta energy: -97.399 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: 7 Temperature: 1.050000 Total energy: -1116.715208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.715208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.715208 (E_RNA) where: Base-Base interactions energy: -506.976 where: short stacking energy: -400.817 Base-Backbone interact. energy: 1.190 local terms energy: -610.929367 where: bonds (distance) C4'-P energy: -139.488 bonds (distance) P-C4' energy: -158.092 flat angles C4'-P-C4' energy: -151.488 flat angles P-C4'-P energy: -93.264 tors. eta vs tors. theta energy: -68.597 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: 5, replica: 5 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -1112.898781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.898781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.898781 (E_RNA) where: Base-Base interactions energy: -522.522 where: short stacking energy: -372.454 Base-Backbone interact. energy: 3.488 local terms energy: -593.865236 where: bonds (distance) C4'-P energy: -153.698 bonds (distance) P-C4' energy: -160.059 flat angles C4'-P-C4' energy: -144.559 flat angles P-C4'-P energy: -88.603 tors. eta vs tors. theta energy: -46.946 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: 8 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -941.695212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.695212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.695212 (E_RNA) where: Base-Base interactions energy: -408.562 where: short stacking energy: -295.978 Base-Backbone interact. energy: -0.184 local terms energy: -532.949735 where: bonds (distance) C4'-P energy: -139.506 bonds (distance) P-C4' energy: -152.941 flat angles C4'-P-C4' energy: -142.483 flat angles P-C4'-P energy: -71.376 tors. eta vs tors. theta energy: -26.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -785.976602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.976602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.976602 (E_RNA) where: Base-Base interactions energy: -273.557 where: short stacking energy: -259.560 Base-Backbone interact. energy: 5.710 local terms energy: -518.129354 where: bonds (distance) C4'-P energy: -143.112 bonds (distance) P-C4' energy: -136.928 flat angles C4'-P-C4' energy: -134.341 flat angles P-C4'-P energy: -71.915 tors. eta vs tors. theta energy: -31.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -856.456196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.456196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.456196 (E_RNA) where: Base-Base interactions energy: -401.183 where: short stacking energy: -261.939 Base-Backbone interact. energy: -0.485 local terms energy: -454.787750 where: bonds (distance) C4'-P energy: -117.074 bonds (distance) P-C4' energy: -163.504 flat angles C4'-P-C4' energy: -118.009 flat angles P-C4'-P energy: -61.739 tors. eta vs tors. theta energy: 5.539 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: 7 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -752.633557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.633557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.633557 (E_RNA) where: Base-Base interactions energy: -319.000 where: short stacking energy: -231.932 Base-Backbone interact. energy: 1.904 local terms energy: -435.537438 where: bonds (distance) C4'-P energy: -130.670 bonds (distance) P-C4' energy: -138.900 flat angles C4'-P-C4' energy: -105.934 flat angles P-C4'-P energy: -73.124 tors. eta vs tors. theta energy: 13.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -613.062913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.062913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.062913 (E_RNA) where: Base-Base interactions energy: -221.318 where: short stacking energy: -185.292 Base-Backbone interact. energy: -1.914 local terms energy: -389.830678 where: bonds (distance) C4'-P energy: -121.963 bonds (distance) P-C4' energy: -136.630 flat angles C4'-P-C4' energy: -92.645 flat angles P-C4'-P energy: -65.685 tors. eta vs tors. theta energy: 27.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1514.710456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.710456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.710456 (E_RNA) where: Base-Base interactions energy: -793.640 where: short stacking energy: -583.194 Base-Backbone interact. energy: -0.677 local terms energy: -720.393263 where: bonds (distance) C4'-P energy: -155.463 bonds (distance) P-C4' energy: -155.362 flat angles C4'-P-C4' energy: -159.045 flat angles P-C4'-P energy: -108.444 tors. eta vs tors. theta energy: -142.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1443.864178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.864178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.864178 (E_RNA) where: Base-Base interactions energy: -721.296 where: short stacking energy: -560.064 Base-Backbone interact. energy: -1.632 local terms energy: -720.935864 where: bonds (distance) C4'-P energy: -153.784 bonds (distance) P-C4' energy: -166.776 flat angles C4'-P-C4' energy: -165.694 flat angles P-C4'-P energy: -93.170 tors. eta vs tors. theta energy: -141.512 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: 3, replica: 3 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1413.336972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.336972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.336972 (E_RNA) where: Base-Base interactions energy: -743.525 where: short stacking energy: -481.901 Base-Backbone interact. energy: 2.467 local terms energy: -672.278821 where: bonds (distance) C4'-P energy: -143.701 bonds (distance) P-C4' energy: -137.534 flat angles C4'-P-C4' energy: -183.841 flat angles P-C4'-P energy: -101.048 tors. eta vs tors. theta energy: -106.155 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: 4 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -1128.890040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.890040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.890040 (E_RNA) where: Base-Base interactions energy: -545.341 where: short stacking energy: -412.755 Base-Backbone interact. energy: -0.839 local terms energy: -582.710136 where: bonds (distance) C4'-P energy: -132.187 bonds (distance) P-C4' energy: -138.645 flat angles C4'-P-C4' energy: -149.673 flat angles P-C4'-P energy: -89.650 tors. eta vs tors. theta energy: -72.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -1110.030607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.030607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.030607 (E_RNA) where: Base-Base interactions energy: -522.305 where: short stacking energy: -376.224 Base-Backbone interact. energy: -2.956 local terms energy: -584.769056 where: bonds (distance) C4'-P energy: -124.570 bonds (distance) P-C4' energy: -172.659 flat angles C4'-P-C4' energy: -133.237 flat angles P-C4'-P energy: -86.460 tors. eta vs tors. theta energy: -67.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -953.137239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.137239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.137239 (E_RNA) where: Base-Base interactions energy: -425.716 where: short stacking energy: -330.797 Base-Backbone interact. energy: 0.597 local terms energy: -528.017745 where: bonds (distance) C4'-P energy: -153.567 bonds (distance) P-C4' energy: -129.251 flat angles C4'-P-C4' energy: -139.533 flat angles P-C4'-P energy: -72.415 tors. eta vs tors. theta energy: -33.252 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: 10 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -949.258800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.258800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.258800 (E_RNA) where: Base-Base interactions energy: -435.126 where: short stacking energy: -262.783 Base-Backbone interact. energy: -2.793 local terms energy: -511.339813 where: bonds (distance) C4'-P energy: -161.798 bonds (distance) P-C4' energy: -124.270 flat angles C4'-P-C4' energy: -137.854 flat angles P-C4'-P energy: -73.222 tors. eta vs tors. theta energy: -14.195 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: 6 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -738.902347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.902347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.902347 (E_RNA) where: Base-Base interactions energy: -278.968 where: short stacking energy: -208.141 Base-Backbone interact. energy: -2.213 local terms energy: -457.721185 where: bonds (distance) C4'-P energy: -124.536 bonds (distance) P-C4' energy: -139.889 flat angles C4'-P-C4' energy: -131.189 flat angles P-C4'-P energy: -70.377 tors. eta vs tors. theta energy: 8.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -728.871054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.871054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.871054 (E_RNA) where: Base-Base interactions energy: -301.448 where: short stacking energy: -199.547 Base-Backbone interact. energy: -0.702 local terms energy: -426.721037 where: bonds (distance) C4'-P energy: -127.608 bonds (distance) P-C4' energy: -156.053 flat angles C4'-P-C4' energy: -99.100 flat angles P-C4'-P energy: -47.491 tors. eta vs tors. theta energy: 3.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -566.479740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.479740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.479740 (E_RNA) where: Base-Base interactions energy: -181.425 where: short stacking energy: -153.392 Base-Backbone interact. energy: 3.166 local terms energy: -388.221618 where: bonds (distance) C4'-P energy: -117.802 bonds (distance) P-C4' energy: -149.502 flat angles C4'-P-C4' energy: -102.732 flat angles P-C4'-P energy: -56.315 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: 1, replica: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1611.213864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.213864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.213864 (E_RNA) where: Base-Base interactions energy: -835.808 where: short stacking energy: -607.892 Base-Backbone interact. energy: -0.513 local terms energy: -774.892739 where: bonds (distance) C4'-P energy: -156.793 bonds (distance) P-C4' energy: -160.426 flat angles C4'-P-C4' energy: -182.837 flat angles P-C4'-P energy: -115.398 tors. eta vs tors. theta energy: -159.439 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: 3 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1538.610599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.610599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.610599 (E_RNA) where: Base-Base interactions energy: -842.083 where: short stacking energy: -543.743 Base-Backbone interact. energy: 2.312 local terms energy: -698.838755 where: bonds (distance) C4'-P energy: -145.393 bonds (distance) P-C4' energy: -173.512 flat angles C4'-P-C4' energy: -157.897 flat angles P-C4'-P energy: -92.248 tors. eta vs tors. theta energy: -129.788 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: 3, replica: 2 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1389.288462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.288462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.288462 (E_RNA) where: Base-Base interactions energy: -690.742 where: short stacking energy: -512.732 Base-Backbone interact. energy: 0.323 local terms energy: -698.869515 where: bonds (distance) C4'-P energy: -158.491 bonds (distance) P-C4' energy: -162.396 flat angles C4'-P-C4' energy: -157.578 flat angles P-C4'-P energy: -102.038 tors. eta vs tors. theta energy: -118.366 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: 4, replica: 4 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -1149.493542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.493542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.493542 (E_RNA) where: Base-Base interactions energy: -531.353 where: short stacking energy: -391.936 Base-Backbone interact. energy: -1.886 local terms energy: -616.254983 where: bonds (distance) C4'-P energy: -149.640 bonds (distance) P-C4' energy: -145.510 flat angles C4'-P-C4' energy: -154.171 flat angles P-C4'-P energy: -94.310 tors. eta vs tors. theta energy: -72.624 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: 5, replica: 5 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -1080.388093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.388093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.388093 (E_RNA) where: Base-Base interactions energy: -487.458 where: short stacking energy: -365.822 Base-Backbone interact. energy: 6.435 local terms energy: -599.364837 where: bonds (distance) C4'-P energy: -154.389 bonds (distance) P-C4' energy: -136.029 flat angles C4'-P-C4' energy: -158.722 flat angles P-C4'-P energy: -95.801 tors. eta vs tors. theta energy: -54.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -1146.483166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.483166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.483166 (E_RNA) where: Base-Base interactions energy: -582.775 where: short stacking energy: -356.353 Base-Backbone interact. energy: 2.004 local terms energy: -565.712334 where: bonds (distance) C4'-P energy: -153.006 bonds (distance) P-C4' energy: -150.418 flat angles C4'-P-C4' energy: -142.942 flat angles P-C4'-P energy: -82.180 tors. eta vs tors. theta energy: -37.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -822.414808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.414808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.414808 (E_RNA) where: Base-Base interactions energy: -323.363 where: short stacking energy: -250.068 Base-Backbone interact. energy: -1.150 local terms energy: -497.901915 where: bonds (distance) C4'-P energy: -140.512 bonds (distance) P-C4' energy: -152.061 flat angles C4'-P-C4' energy: -133.404 flat angles P-C4'-P energy: -83.345 tors. eta vs tors. theta energy: 11.420 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: 8, replica: 7 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -755.191643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.191643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.191643 (E_RNA) where: Base-Base interactions energy: -278.039 where: short stacking energy: -212.036 Base-Backbone interact. energy: 4.612 local terms energy: -481.764892 where: bonds (distance) C4'-P energy: -127.274 bonds (distance) P-C4' energy: -153.592 flat angles C4'-P-C4' energy: -124.574 flat angles P-C4'-P energy: -87.905 tors. eta vs tors. theta energy: 11.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -745.344560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.344560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.344560 (E_RNA) where: Base-Base interactions energy: -291.330 where: short stacking energy: -221.284 Base-Backbone interact. energy: 3.462 local terms energy: -457.476121 where: bonds (distance) C4'-P energy: -131.101 bonds (distance) P-C4' energy: -147.588 flat angles C4'-P-C4' energy: -115.447 flat angles P-C4'-P energy: -84.835 tors. eta vs tors. theta energy: 21.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -607.064887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.064887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.064887 (E_RNA) where: Base-Base interactions energy: -256.133 where: short stacking energy: -192.984 Base-Backbone interact. energy: 5.899 local terms energy: -356.830732 where: bonds (distance) C4'-P energy: -129.569 bonds (distance) P-C4' energy: -122.579 flat angles C4'-P-C4' energy: -63.470 flat angles P-C4'-P energy: -65.760 tors. eta vs tors. theta energy: 24.547 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: 1, replica: 3 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1715.553477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.553477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.553477 (E_RNA) where: Base-Base interactions energy: -960.437 where: short stacking energy: -599.930 Base-Backbone interact. energy: -4.964 local terms energy: -750.152541 where: bonds (distance) C4'-P energy: -158.697 bonds (distance) P-C4' energy: -165.730 flat angles C4'-P-C4' energy: -176.096 flat angles P-C4'-P energy: -109.832 tors. eta vs tors. theta energy: -139.797 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: 1 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1529.619955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.619955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.619955 (E_RNA) where: Base-Base interactions energy: -811.749 where: short stacking energy: -554.204 Base-Backbone interact. energy: -0.562 local terms energy: -717.308018 where: bonds (distance) C4'-P energy: -168.422 bonds (distance) P-C4' energy: -149.469 flat angles C4'-P-C4' energy: -170.735 flat angles P-C4'-P energy: -99.505 tors. eta vs tors. theta energy: -129.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1385.696655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.696655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.696655 (E_RNA) where: Base-Base interactions energy: -714.943 where: short stacking energy: -442.046 Base-Backbone interact. energy: -2.306 local terms energy: -668.448187 where: bonds (distance) C4'-P energy: -156.224 bonds (distance) P-C4' energy: -175.707 flat angles C4'-P-C4' energy: -148.620 flat angles P-C4'-P energy: -103.769 tors. eta vs tors. theta energy: -84.128 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: 10 Temperature: 1.050000 Total energy: -1235.574999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.574999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.574999 (E_RNA) where: Base-Base interactions energy: -585.569 where: short stacking energy: -396.989 Base-Backbone interact. energy: -1.073 local terms energy: -648.932920 where: bonds (distance) C4'-P energy: -148.984 bonds (distance) P-C4' energy: -157.689 flat angles C4'-P-C4' energy: -168.753 flat angles P-C4'-P energy: -93.671 tors. eta vs tors. theta energy: -79.835 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: 5, replica: 10 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -1337.987869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.987869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.987869 (E_RNA) where: Base-Base interactions energy: -740.375 where: short stacking energy: -425.282 Base-Backbone interact. energy: -0.347 local terms energy: -597.265425 where: bonds (distance) C4'-P energy: -153.887 bonds (distance) P-C4' energy: -144.013 flat angles C4'-P-C4' energy: -141.820 flat angles P-C4'-P energy: -71.903 tors. eta vs tors. theta energy: -85.644 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: 5 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -1045.666588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.666588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.666588 (E_RNA) where: Base-Base interactions energy: -462.283 where: short stacking energy: -331.865 Base-Backbone interact. energy: 3.771 local terms energy: -587.153766 where: bonds (distance) C4'-P energy: -143.280 bonds (distance) P-C4' energy: -154.490 flat angles C4'-P-C4' energy: -141.163 flat angles P-C4'-P energy: -89.827 tors. eta vs tors. theta energy: -58.393 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: 7, replica: 8 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -870.838820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.838820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.838820 (E_RNA) where: Base-Base interactions energy: -350.238 where: short stacking energy: -242.514 Base-Backbone interact. energy: 5.391 local terms energy: -525.991803 where: bonds (distance) C4'-P energy: -151.583 bonds (distance) P-C4' energy: -151.206 flat angles C4'-P-C4' energy: -107.645 flat angles P-C4'-P energy: -98.564 tors. eta vs tors. theta energy: -16.994 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: 7 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -778.716345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.716345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.716345 (E_RNA) where: Base-Base interactions energy: -315.204 where: short stacking energy: -224.347 Base-Backbone interact. energy: 1.143 local terms energy: -464.655973 where: bonds (distance) C4'-P energy: -132.781 bonds (distance) P-C4' energy: -151.169 flat angles C4'-P-C4' energy: -116.892 flat angles P-C4'-P energy: -67.707 tors. eta vs tors. theta energy: 3.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -723.736662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.736662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.736662 (E_RNA) where: Base-Base interactions energy: -323.687 where: short stacking energy: -221.553 Base-Backbone interact. energy: -1.012 local terms energy: -399.037662 where: bonds (distance) C4'-P energy: -128.559 bonds (distance) P-C4' energy: -135.089 flat angles C4'-P-C4' energy: -116.320 flat angles P-C4'-P energy: -43.543 tors. eta vs tors. theta energy: 24.474 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: 10, replica: 9 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -688.876893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.876893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.876893 (E_RNA) where: Base-Base interactions energy: -275.253 where: short stacking energy: -216.763 Base-Backbone interact. energy: 6.785 local terms energy: -420.409096 where: bonds (distance) C4'-P energy: -138.598 bonds (distance) P-C4' energy: -117.653 flat angles C4'-P-C4' energy: -104.644 flat angles P-C4'-P energy: -56.582 tors. eta vs tors. theta energy: -2.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1821.235515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.235515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.235515 (E_RNA) where: Base-Base interactions energy: -1064.007 where: short stacking energy: -669.292 Base-Backbone interact. energy: -2.560 local terms energy: -754.668468 where: bonds (distance) C4'-P energy: -140.549 bonds (distance) P-C4' energy: -173.254 flat angles C4'-P-C4' energy: -171.738 flat angles P-C4'-P energy: -99.497 tors. eta vs tors. theta energy: -169.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1564.791511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.791511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.791511 (E_RNA) where: Base-Base interactions energy: -795.616 where: short stacking energy: -573.200 Base-Backbone interact. energy: 2.493 local terms energy: -771.668426 where: bonds (distance) C4'-P energy: -169.041 bonds (distance) P-C4' energy: -162.259 flat angles C4'-P-C4' energy: -164.657 flat angles P-C4'-P energy: -116.829 tors. eta vs tors. theta energy: -158.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1393.705551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.705551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.705551 (E_RNA) where: Base-Base interactions energy: -718.561 where: short stacking energy: -474.993 Base-Backbone interact. energy: -2.377 local terms energy: -672.767792 where: bonds (distance) C4'-P energy: -147.059 bonds (distance) P-C4' energy: -158.987 flat angles C4'-P-C4' energy: -165.931 flat angles P-C4'-P energy: -92.821 tors. eta vs tors. theta energy: -107.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1558.250590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.250590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.250590 (E_RNA) where: Base-Base interactions energy: -927.789 where: short stacking energy: -460.495 Base-Backbone interact. energy: -2.502 local terms energy: -627.959906 where: bonds (distance) C4'-P energy: -162.417 bonds (distance) P-C4' energy: -151.072 flat angles C4'-P-C4' energy: -154.004 flat angles P-C4'-P energy: -83.247 tors. eta vs tors. theta energy: -77.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -1212.076290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.076290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.076290 (E_RNA) where: Base-Base interactions energy: -654.065 where: short stacking energy: -362.480 Base-Backbone interact. energy: 3.261 local terms energy: -561.271979 where: bonds (distance) C4'-P energy: -142.851 bonds (distance) P-C4' energy: -141.120 flat angles C4'-P-C4' energy: -144.076 flat angles P-C4'-P energy: -72.768 tors. eta vs tors. theta energy: -60.457 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: 6, replica: 5 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -1030.782043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.782043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.782043 (E_RNA) where: Base-Base interactions energy: -474.035 where: short stacking energy: -302.088 Base-Backbone interact. energy: -3.158 local terms energy: -553.589319 where: bonds (distance) C4'-P energy: -155.157 bonds (distance) P-C4' energy: -152.667 flat angles C4'-P-C4' energy: -124.879 flat angles P-C4'-P energy: -86.313 tors. eta vs tors. theta energy: -34.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -913.510956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.510956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.510956 (E_RNA) where: Base-Base interactions energy: -416.406 where: short stacking energy: -286.573 Base-Backbone interact. energy: -0.008 local terms energy: -497.096547 where: bonds (distance) C4'-P energy: -121.432 bonds (distance) P-C4' energy: -158.168 flat angles C4'-P-C4' energy: -132.072 flat angles P-C4'-P energy: -76.302 tors. eta vs tors. theta energy: -9.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -793.445461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.445461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.445461 (E_RNA) where: Base-Base interactions energy: -343.113 where: short stacking energy: -237.567 Base-Backbone interact. energy: 0.225 local terms energy: -450.557368 where: bonds (distance) C4'-P energy: -127.337 bonds (distance) P-C4' energy: -134.063 flat angles C4'-P-C4' energy: -122.698 flat angles P-C4'-P energy: -76.228 tors. eta vs tors. theta energy: 9.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -775.773189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.773189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.773189 (E_RNA) where: Base-Base interactions energy: -369.279 where: short stacking energy: -247.992 Base-Backbone interact. energy: -2.968 local terms energy: -403.526782 where: bonds (distance) C4'-P energy: -119.186 bonds (distance) P-C4' energy: -125.383 flat angles C4'-P-C4' energy: -114.827 flat angles P-C4'-P energy: -44.875 tors. eta vs tors. theta energy: 0.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -597.824363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.824363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.824363 (E_RNA) where: Base-Base interactions energy: -197.800 where: short stacking energy: -168.433 Base-Backbone interact. energy: 3.964 local terms energy: -403.989102 where: bonds (distance) C4'-P energy: -100.909 bonds (distance) P-C4' energy: -151.585 flat angles C4'-P-C4' energy: -120.491 flat angles P-C4'-P energy: -58.163 tors. eta vs tors. theta energy: 27.158 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: 3 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1800.726373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.726373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.726373 (E_RNA) where: Base-Base interactions energy: -1031.157 where: short stacking energy: -595.003 Base-Backbone interact. energy: -1.956 local terms energy: -767.612842 where: bonds (distance) C4'-P energy: -158.799 bonds (distance) P-C4' energy: -169.251 flat angles C4'-P-C4' energy: -178.847 flat angles P-C4'-P energy: -120.766 tors. eta vs tors. theta energy: -139.951 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: 1 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1583.631928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.631928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.631928 (E_RNA) where: Base-Base interactions energy: -890.524 where: short stacking energy: -538.564 Base-Backbone interact. energy: -1.080 local terms energy: -692.028088 where: bonds (distance) C4'-P energy: -145.152 bonds (distance) P-C4' energy: -167.680 flat angles C4'-P-C4' energy: -164.728 flat angles P-C4'-P energy: -90.207 tors. eta vs tors. theta energy: -124.261 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: 3, replica: 10 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1768.105856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.105856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.105856 (E_RNA) where: Base-Base interactions energy: -1085.175 where: short stacking energy: -544.635 Base-Backbone interact. energy: -0.338 local terms energy: -682.592490 where: bonds (distance) C4'-P energy: -151.742 bonds (distance) P-C4' energy: -163.449 flat angles C4'-P-C4' energy: -151.500 flat angles P-C4'-P energy: -95.963 tors. eta vs tors. theta energy: -119.939 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: 4, replica: 2 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1343.648398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.648398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.648398 (E_RNA) where: Base-Base interactions energy: -715.760 where: short stacking energy: -446.058 Base-Backbone interact. energy: -0.429 local terms energy: -627.459292 where: bonds (distance) C4'-P energy: -153.345 bonds (distance) P-C4' energy: -152.397 flat angles C4'-P-C4' energy: -158.612 flat angles P-C4'-P energy: -77.221 tors. eta vs tors. theta energy: -85.885 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: 5, replica: 4 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -1225.504523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.504523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.504523 (E_RNA) where: Base-Base interactions energy: -613.143 where: short stacking energy: -366.974 Base-Backbone interact. energy: -1.600 local terms energy: -610.761031 where: bonds (distance) C4'-P energy: -156.516 bonds (distance) P-C4' energy: -138.062 flat angles C4'-P-C4' energy: -155.968 flat angles P-C4'-P energy: -115.968 tors. eta vs tors. theta energy: -44.247 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: 12 Temperature: 1.150000 Total energy: -1074.432688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.432688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.432688 (E_RNA) where: Base-Base interactions energy: -524.319 where: short stacking energy: -341.807 Base-Backbone interact. energy: 0.556 local terms energy: -550.669274 where: bonds (distance) C4'-P energy: -139.062 bonds (distance) P-C4' energy: -177.330 flat angles C4'-P-C4' energy: -128.748 flat angles P-C4'-P energy: -62.727 tors. eta vs tors. theta energy: -42.802 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: 7, replica: 8 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -905.533347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.533347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.533347 (E_RNA) where: Base-Base interactions energy: -393.311 where: short stacking energy: -265.098 Base-Backbone interact. energy: -2.282 local terms energy: -509.940552 where: bonds (distance) C4'-P energy: -139.936 bonds (distance) P-C4' energy: -140.565 flat angles C4'-P-C4' energy: -142.212 flat angles P-C4'-P energy: -73.029 tors. eta vs tors. theta energy: -14.198 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: 6 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -796.265147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.265147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.265147 (E_RNA) where: Base-Base interactions energy: -316.773 where: short stacking energy: -231.014 Base-Backbone interact. energy: 4.314 local terms energy: -483.806929 where: bonds (distance) C4'-P energy: -152.111 bonds (distance) P-C4' energy: -150.519 flat angles C4'-P-C4' energy: -118.887 flat angles P-C4'-P energy: -66.058 tors. eta vs tors. theta energy: 3.767 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: 9 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -684.607608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.607608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.607608 (E_RNA) where: Base-Base interactions energy: -257.003 where: short stacking energy: -200.373 Base-Backbone interact. energy: 7.685 local terms energy: -435.289337 where: bonds (distance) C4'-P energy: -138.968 bonds (distance) P-C4' energy: -111.685 flat angles C4'-P-C4' energy: -135.681 flat angles P-C4'-P energy: -71.374 tors. eta vs tors. theta energy: 22.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -626.287122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.287122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.287122 (E_RNA) where: Base-Base interactions energy: -217.405 where: short stacking energy: -161.596 Base-Backbone interact. energy: -4.127 local terms energy: -404.755770 where: bonds (distance) C4'-P energy: -131.549 bonds (distance) P-C4' energy: -129.324 flat angles C4'-P-C4' energy: -108.430 flat angles P-C4'-P energy: -60.685 tors. eta vs tors. theta energy: 25.232 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: 3 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1831.230629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.230629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.230629 (E_RNA) where: Base-Base interactions energy: -1035.085 where: short stacking energy: -610.482 Base-Backbone interact. energy: -2.266 local terms energy: -793.879329 where: bonds (distance) C4'-P energy: -173.703 bonds (distance) P-C4' energy: -168.211 flat angles C4'-P-C4' energy: -179.290 flat angles P-C4'-P energy: -120.786 tors. eta vs tors. theta energy: -151.889 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: 2, replica: 10 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1908.406822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.406822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.406822 (E_RNA) where: Base-Base interactions energy: -1162.278 where: short stacking energy: -604.139 Base-Backbone interact. energy: 1.057 local terms energy: -747.185394 where: bonds (distance) C4'-P energy: -156.863 bonds (distance) P-C4' energy: -164.484 flat angles C4'-P-C4' energy: -173.350 flat angles P-C4'-P energy: -108.008 tors. eta vs tors. theta energy: -144.480 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: 3, replica: 1 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1486.739336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.739336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.739336 (E_RNA) where: Base-Base interactions energy: -808.039 where: short stacking energy: -504.651 Base-Backbone interact. energy: -1.514 local terms energy: -677.186429 where: bonds (distance) C4'-P energy: -151.193 bonds (distance) P-C4' energy: -169.200 flat angles C4'-P-C4' energy: -150.346 flat angles P-C4'-P energy: -85.175 tors. eta vs tors. theta energy: -121.273 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: 4, replica: 2 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1327.584247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.584247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.584247 (E_RNA) where: Base-Base interactions energy: -681.852 where: short stacking energy: -415.057 Base-Backbone interact. energy: -4.669 local terms energy: -641.063553 where: bonds (distance) C4'-P energy: -163.063 bonds (distance) P-C4' energy: -139.760 flat angles C4'-P-C4' energy: -146.561 flat angles P-C4'-P energy: -109.387 tors. eta vs tors. theta energy: -82.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -1300.210243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.210243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.210243 (E_RNA) where: Base-Base interactions energy: -727.136 where: short stacking energy: -424.966 Base-Backbone interact. energy: -4.790 local terms energy: -568.284605 where: bonds (distance) C4'-P energy: -135.239 bonds (distance) P-C4' energy: -138.792 flat angles C4'-P-C4' energy: -143.740 flat angles P-C4'-P energy: -85.068 tors. eta vs tors. theta energy: -65.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -1156.428889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.428889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.428889 (E_RNA) where: Base-Base interactions energy: -580.244 where: short stacking energy: -367.677 Base-Backbone interact. energy: -0.943 local terms energy: -575.241506 where: bonds (distance) C4'-P energy: -127.803 bonds (distance) P-C4' energy: -161.075 flat angles C4'-P-C4' energy: -129.078 flat angles P-C4'-P energy: -91.645 tors. eta vs tors. theta energy: -65.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -970.995096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.995096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.995096 (E_RNA) where: Base-Base interactions energy: -442.017 where: short stacking energy: -311.875 Base-Backbone interact. energy: 1.247 local terms energy: -530.224756 where: bonds (distance) C4'-P energy: -133.992 bonds (distance) P-C4' energy: -155.447 flat angles C4'-P-C4' energy: -121.748 flat angles P-C4'-P energy: -84.178 tors. eta vs tors. theta energy: -34.860 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: 6 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -801.222100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.222100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.222100 (E_RNA) where: Base-Base interactions energy: -327.172 where: short stacking energy: -241.287 Base-Backbone interact. energy: 2.766 local terms energy: -476.816105 where: bonds (distance) C4'-P energy: -142.078 bonds (distance) P-C4' energy: -141.009 flat angles C4'-P-C4' energy: -131.465 flat angles P-C4'-P energy: -71.585 tors. eta vs tors. theta energy: 9.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -632.194405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.194405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.194405 (E_RNA) where: Base-Base interactions energy: -226.223 where: short stacking energy: -202.878 Base-Backbone interact. energy: 2.123 local terms energy: -408.094110 where: bonds (distance) C4'-P energy: -124.941 bonds (distance) P-C4' energy: -137.906 flat angles C4'-P-C4' energy: -126.383 flat angles P-C4'-P energy: -46.687 tors. eta vs tors. theta energy: 27.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -657.254160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.254160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.254160 (E_RNA) where: Base-Base interactions energy: -274.359 where: short stacking energy: -172.806 Base-Backbone interact. energy: 1.602 local terms energy: -384.497388 where: bonds (distance) C4'-P energy: -115.858 bonds (distance) P-C4' energy: -147.992 flat angles C4'-P-C4' energy: -101.378 flat angles P-C4'-P energy: -46.013 tors. eta vs tors. theta energy: 26.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -2004.971713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.971713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.971713 (E_RNA) where: Base-Base interactions energy: -1231.099 where: short stacking energy: -618.786 Base-Backbone interact. energy: -1.633 local terms energy: -772.239761 where: bonds (distance) C4'-P energy: -157.480 bonds (distance) P-C4' energy: -175.601 flat angles C4'-P-C4' energy: -168.279 flat angles P-C4'-P energy: -106.394 tors. eta vs tors. theta energy: -164.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1794.271023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.271023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.271023 (E_RNA) where: Base-Base interactions energy: -1070.106 where: short stacking energy: -594.865 Base-Backbone interact. energy: -0.732 local terms energy: -723.432932 where: bonds (distance) C4'-P energy: -134.913 bonds (distance) P-C4' energy: -147.609 flat angles C4'-P-C4' energy: -185.482 flat angles P-C4'-P energy: -109.535 tors. eta vs tors. theta energy: -145.894 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: 1 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1489.086965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.086965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.086965 (E_RNA) where: Base-Base interactions energy: -826.045 where: short stacking energy: -473.891 Base-Backbone interact. energy: -3.315 local terms energy: -659.727098 where: bonds (distance) C4'-P energy: -143.938 bonds (distance) P-C4' energy: -146.027 flat angles C4'-P-C4' energy: -164.529 flat angles P-C4'-P energy: -103.676 tors. eta vs tors. theta energy: -101.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1429.181698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.181698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.181698 (E_RNA) where: Base-Base interactions energy: -775.387 where: short stacking energy: -474.742 Base-Backbone interact. energy: 1.685 local terms energy: -655.479183 where: bonds (distance) C4'-P energy: -154.696 bonds (distance) P-C4' energy: -146.667 flat angles C4'-P-C4' energy: -149.836 flat angles P-C4'-P energy: -112.296 tors. eta vs tors. theta energy: -91.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1457.802815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.802815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.802815 (E_RNA) where: Base-Base interactions energy: -820.375 where: short stacking energy: -441.898 Base-Backbone interact. energy: -1.022 local terms energy: -636.406194 where: bonds (distance) C4'-P energy: -152.581 bonds (distance) P-C4' energy: -147.462 flat angles C4'-P-C4' energy: -149.269 flat angles P-C4'-P energy: -93.383 tors. eta vs tors. theta energy: -93.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -1128.689184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.689184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.689184 (E_RNA) where: Base-Base interactions energy: -567.491 where: short stacking energy: -360.489 Base-Backbone interact. energy: -3.650 local terms energy: -557.548359 where: bonds (distance) C4'-P energy: -140.918 bonds (distance) P-C4' energy: -140.455 flat angles C4'-P-C4' energy: -128.537 flat angles P-C4'-P energy: -94.197 tors. eta vs tors. theta energy: -53.442 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: 7, replica: 6 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -962.337126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.337126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.337126 (E_RNA) where: Base-Base interactions energy: -458.195 where: short stacking energy: -275.236 Base-Backbone interact. energy: -1.358 local terms energy: -502.784068 where: bonds (distance) C4'-P energy: -144.120 bonds (distance) P-C4' energy: -145.780 flat angles C4'-P-C4' energy: -135.215 flat angles P-C4'-P energy: -62.496 tors. eta vs tors. theta energy: -15.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -932.787955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.787955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.787955 (E_RNA) where: Base-Base interactions energy: -444.590 where: short stacking energy: -279.335 Base-Backbone interact. energy: -1.548 local terms energy: -486.649856 where: bonds (distance) C4'-P energy: -132.779 bonds (distance) P-C4' energy: -147.682 flat angles C4'-P-C4' energy: -117.301 flat angles P-C4'-P energy: -71.375 tors. eta vs tors. theta energy: -17.512 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: 7 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -722.698772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.698772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.698772 (E_RNA) where: Base-Base interactions energy: -300.062 where: short stacking energy: -213.781 Base-Backbone interact. energy: 8.152 local terms energy: -430.788773 where: bonds (distance) C4'-P energy: -121.091 bonds (distance) P-C4' energy: -155.640 flat angles C4'-P-C4' energy: -104.847 flat angles P-C4'-P energy: -59.897 tors. eta vs tors. theta energy: 10.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -640.595007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.595007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.595007 (E_RNA) where: Base-Base interactions energy: -267.798 where: short stacking energy: -184.895 Base-Backbone interact. energy: 2.848 local terms energy: -375.645063 where: bonds (distance) C4'-P energy: -122.012 bonds (distance) P-C4' energy: -127.234 flat angles C4'-P-C4' energy: -96.153 flat angles P-C4'-P energy: -54.288 tors. eta vs tors. theta energy: 24.041 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: 10 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1998.034126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.034126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.034126 (E_RNA) where: Base-Base interactions energy: -1232.214 where: short stacking energy: -626.513 Base-Backbone interact. energy: -1.380 local terms energy: -764.440020 where: bonds (distance) C4'-P energy: -163.242 bonds (distance) P-C4' energy: -173.629 flat angles C4'-P-C4' energy: -161.632 flat angles P-C4'-P energy: -107.354 tors. eta vs tors. theta energy: -158.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1784.781431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.781431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.781431 (E_RNA) where: Base-Base interactions energy: -1043.241 where: short stacking energy: -582.316 Base-Backbone interact. energy: 3.093 local terms energy: -744.633339 where: bonds (distance) C4'-P energy: -163.749 bonds (distance) P-C4' energy: -155.362 flat angles C4'-P-C4' energy: -174.835 flat angles P-C4'-P energy: -94.124 tors. eta vs tors. theta energy: -156.563 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: 1 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1486.361772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.361772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.361772 (E_RNA) where: Base-Base interactions energy: -852.332 where: short stacking energy: -508.074 Base-Backbone interact. energy: -0.330 local terms energy: -633.699191 where: bonds (distance) C4'-P energy: -136.604 bonds (distance) P-C4' energy: -158.643 flat angles C4'-P-C4' energy: -148.876 flat angles P-C4'-P energy: -89.310 tors. eta vs tors. theta energy: -100.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1472.236911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.236911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.236911 (E_RNA) where: Base-Base interactions energy: -828.171 where: short stacking energy: -468.476 Base-Backbone interact. energy: 1.451 local terms energy: -645.516957 where: bonds (distance) C4'-P energy: -157.827 bonds (distance) P-C4' energy: -148.065 flat angles C4'-P-C4' energy: -145.669 flat angles P-C4'-P energy: -85.351 tors. eta vs tors. theta energy: -108.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1334.901856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.901856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.901856 (E_RNA) where: Base-Base interactions energy: -728.462 where: short stacking energy: -411.680 Base-Backbone interact. energy: 1.165 local terms energy: -607.604406 where: bonds (distance) C4'-P energy: -144.155 bonds (distance) P-C4' energy: -145.479 flat angles C4'-P-C4' energy: -156.181 flat angles P-C4'-P energy: -101.977 tors. eta vs tors. theta energy: -59.813 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: 15 Temperature: 1.150000 Total energy: -1113.145838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.145838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.145838 (E_RNA) where: Base-Base interactions energy: -553.905 where: short stacking energy: -338.123 Base-Backbone interact. energy: 1.890 local terms energy: -561.131302 where: bonds (distance) C4'-P energy: -130.675 bonds (distance) P-C4' energy: -159.888 flat angles C4'-P-C4' energy: -147.860 flat angles P-C4'-P energy: -80.711 tors. eta vs tors. theta energy: -41.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -849.207382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.207382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.207382 (E_RNA) where: Base-Base interactions energy: -362.575 where: short stacking energy: -255.909 Base-Backbone interact. energy: -2.649 local terms energy: -483.983115 where: bonds (distance) C4'-P energy: -134.161 bonds (distance) P-C4' energy: -146.483 flat angles C4'-P-C4' energy: -130.237 flat angles P-C4'-P energy: -78.798 tors. eta vs tors. theta energy: 5.696 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: 8, replica: 8 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -1004.432947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.432947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.432947 (E_RNA) where: Base-Base interactions energy: -500.372 where: short stacking energy: -298.277 Base-Backbone interact. energy: -0.441 local terms energy: -503.620081 where: bonds (distance) C4'-P energy: -149.383 bonds (distance) P-C4' energy: -147.858 flat angles C4'-P-C4' energy: -118.135 flat angles P-C4'-P energy: -76.537 tors. eta vs tors. theta energy: -11.707 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: 9, replica: 7 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -630.810521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.810521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.810521 (E_RNA) where: Base-Base interactions energy: -203.183 where: short stacking energy: -179.840 Base-Backbone interact. energy: 5.362 local terms energy: -432.988952 where: bonds (distance) C4'-P energy: -137.309 bonds (distance) P-C4' energy: -153.747 flat angles C4'-P-C4' energy: -106.693 flat angles P-C4'-P energy: -51.964 tors. eta vs tors. theta energy: 16.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -629.597583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.597583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.597583 (E_RNA) where: Base-Base interactions energy: -212.160 where: short stacking energy: -183.579 Base-Backbone interact. energy: 0.532 local terms energy: -417.969521 where: bonds (distance) C4'-P energy: -136.161 bonds (distance) P-C4' energy: -134.215 flat angles C4'-P-C4' energy: -110.858 flat angles P-C4'-P energy: -62.504 tors. eta vs tors. theta energy: 25.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -2068.462737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.462737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.462737 (E_RNA) where: Base-Base interactions energy: -1298.995 where: short stacking energy: -651.731 Base-Backbone interact. energy: -1.330 local terms energy: -768.137640 where: bonds (distance) C4'-P energy: -159.103 bonds (distance) P-C4' energy: -158.027 flat angles C4'-P-C4' energy: -161.613 flat angles P-C4'-P energy: -123.615 tors. eta vs tors. theta energy: -165.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1755.394697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.394697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.394697 (E_RNA) where: Base-Base interactions energy: -1012.097 where: short stacking energy: -563.498 Base-Backbone interact. energy: -2.575 local terms energy: -740.723244 where: bonds (distance) C4'-P energy: -153.962 bonds (distance) P-C4' energy: -168.075 flat angles C4'-P-C4' energy: -169.854 flat angles P-C4'-P energy: -108.865 tors. eta vs tors. theta energy: -139.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1655.535671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.535671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.535671 (E_RNA) where: Base-Base interactions energy: -980.462 where: short stacking energy: -508.581 Base-Backbone interact. energy: 1.076 local terms energy: -676.149839 where: bonds (distance) C4'-P energy: -155.561 bonds (distance) P-C4' energy: -161.136 flat angles C4'-P-C4' energy: -157.542 flat angles P-C4'-P energy: -98.331 tors. eta vs tors. theta energy: -103.580 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: 1 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1374.667043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.667043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.667043 (E_RNA) where: Base-Base interactions energy: -709.542 where: short stacking energy: -433.082 Base-Backbone interact. energy: -0.052 local terms energy: -665.072928 where: bonds (distance) C4'-P energy: -133.773 bonds (distance) P-C4' energy: -174.570 flat angles C4'-P-C4' energy: -166.092 flat angles P-C4'-P energy: -99.370 tors. eta vs tors. theta energy: -91.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1366.140839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.140839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.140839 (E_RNA) where: Base-Base interactions energy: -762.325 where: short stacking energy: -403.235 Base-Backbone interact. energy: 1.156 local terms energy: -604.972511 where: bonds (distance) C4'-P energy: -145.296 bonds (distance) P-C4' energy: -155.076 flat angles C4'-P-C4' energy: -138.186 flat angles P-C4'-P energy: -90.135 tors. eta vs tors. theta energy: -76.279 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: 6, replica: 5 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -1102.779039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.779039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.779039 (E_RNA) where: Base-Base interactions energy: -569.612 where: short stacking energy: -391.176 Base-Backbone interact. energy: 5.806 local terms energy: -538.973279 where: bonds (distance) C4'-P energy: -140.180 bonds (distance) P-C4' energy: -149.384 flat angles C4'-P-C4' energy: -143.003 flat angles P-C4'-P energy: -54.820 tors. eta vs tors. theta energy: -51.586 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: 7, replica: 8 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -1140.000256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.000256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.000256 (E_RNA) where: Base-Base interactions energy: -635.013 where: short stacking energy: -322.737 Base-Backbone interact. energy: 0.312 local terms energy: -505.298515 where: bonds (distance) C4'-P energy: -135.313 bonds (distance) P-C4' energy: -132.547 flat angles C4'-P-C4' energy: -122.688 flat angles P-C4'-P energy: -77.619 tors. eta vs tors. theta energy: -37.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -856.305014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.305014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.305014 (E_RNA) where: Base-Base interactions energy: -356.596 where: short stacking energy: -243.100 Base-Backbone interact. energy: 1.092 local terms energy: -500.801564 where: bonds (distance) C4'-P energy: -154.260 bonds (distance) P-C4' energy: -142.622 flat angles C4'-P-C4' energy: -112.974 flat angles P-C4'-P energy: -83.267 tors. eta vs tors. theta energy: -7.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -651.855016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.855016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.855016 (E_RNA) where: Base-Base interactions energy: -259.084 where: short stacking energy: -198.324 Base-Backbone interact. energy: -0.158 local terms energy: -392.612960 where: bonds (distance) C4'-P energy: -111.582 bonds (distance) P-C4' energy: -130.544 flat angles C4'-P-C4' energy: -104.231 flat angles P-C4'-P energy: -61.874 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: 10, replica: 7 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -636.165344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.165344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.165344 (E_RNA) where: Base-Base interactions energy: -260.829 where: short stacking energy: -151.766 Base-Backbone interact. energy: -3.803 local terms energy: -371.533179 where: bonds (distance) C4'-P energy: -138.983 bonds (distance) P-C4' energy: -127.874 flat angles C4'-P-C4' energy: -101.691 flat angles P-C4'-P energy: -52.062 tors. eta vs tors. theta energy: 49.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -2041.562219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.562219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.562219 (E_RNA) where: Base-Base interactions energy: -1269.969 where: short stacking energy: -626.624 Base-Backbone interact. energy: -1.913 local terms energy: -769.679665 where: bonds (distance) C4'-P energy: -154.719 bonds (distance) P-C4' energy: -170.711 flat angles C4'-P-C4' energy: -169.671 flat angles P-C4'-P energy: -111.189 tors. eta vs tors. theta energy: -163.390 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: 2, replica: 3 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1772.029872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.029872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.029872 (E_RNA) where: Base-Base interactions energy: -1023.346 where: short stacking energy: -632.385 Base-Backbone interact. energy: 0.036 local terms energy: -748.720556 where: bonds (distance) C4'-P energy: -158.489 bonds (distance) P-C4' energy: -161.066 flat angles C4'-P-C4' energy: -160.239 flat angles P-C4'-P energy: -102.698 tors. eta vs tors. theta energy: -166.229 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: 3, replica: 4 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1723.964679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.964679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.964679 (E_RNA) where: Base-Base interactions energy: -1038.359 where: short stacking energy: -528.698 Base-Backbone interact. energy: -0.835 local terms energy: -684.770806 where: bonds (distance) C4'-P energy: -143.538 bonds (distance) P-C4' energy: -145.946 flat angles C4'-P-C4' energy: -159.681 flat angles P-C4'-P energy: -97.156 tors. eta vs tors. theta energy: -138.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1402.691950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.691950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.691950 (E_RNA) where: Base-Base interactions energy: -754.183 where: short stacking energy: -433.028 Base-Backbone interact. energy: 6.851 local terms energy: -655.359768 where: bonds (distance) C4'-P energy: -154.134 bonds (distance) P-C4' energy: -157.853 flat angles C4'-P-C4' energy: -144.079 flat angles P-C4'-P energy: -109.539 tors. eta vs tors. theta energy: -89.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1368.518600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.518600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.518600 (E_RNA) where: Base-Base interactions energy: -787.071 where: short stacking energy: -432.257 Base-Backbone interact. energy: 1.237 local terms energy: -582.684360 where: bonds (distance) C4'-P energy: -135.046 bonds (distance) P-C4' energy: -145.894 flat angles C4'-P-C4' energy: -130.661 flat angles P-C4'-P energy: -92.987 tors. eta vs tors. theta energy: -78.096 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: 8 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -1314.194310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.194310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.194310 (E_RNA) where: Base-Base interactions energy: -729.386 where: short stacking energy: -350.473 Base-Backbone interact. energy: -5.032 local terms energy: -579.776084 where: bonds (distance) C4'-P energy: -137.376 bonds (distance) P-C4' energy: -152.114 flat angles C4'-P-C4' energy: -143.805 flat angles P-C4'-P energy: -95.536 tors. eta vs tors. theta energy: -50.945 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: 7, replica: 5 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -1060.386063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.386063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.386063 (E_RNA) where: Base-Base interactions energy: -509.377 where: short stacking energy: -312.985 Base-Backbone interact. energy: -5.810 local terms energy: -545.198927 where: bonds (distance) C4'-P energy: -138.766 bonds (distance) P-C4' energy: -146.997 flat angles C4'-P-C4' energy: -142.074 flat angles P-C4'-P energy: -83.502 tors. eta vs tors. theta energy: -33.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -887.373367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.373367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.373367 (E_RNA) where: Base-Base interactions energy: -390.020 where: short stacking energy: -265.923 Base-Backbone interact. energy: 0.325 local terms energy: -497.678474 where: bonds (distance) C4'-P energy: -133.739 bonds (distance) P-C4' energy: -149.934 flat angles C4'-P-C4' energy: -119.753 flat angles P-C4'-P energy: -76.254 tors. eta vs tors. theta energy: -17.998 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: 9, replica: 9 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -706.010977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.010977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.010977 (E_RNA) where: Base-Base interactions energy: -254.814 where: short stacking energy: -187.923 Base-Backbone interact. energy: -1.017 local terms energy: -450.180111 where: bonds (distance) C4'-P energy: -126.477 bonds (distance) P-C4' energy: -148.089 flat angles C4'-P-C4' energy: -123.361 flat angles P-C4'-P energy: -63.398 tors. eta vs tors. theta energy: 11.144 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: 7 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -655.658676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.658676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.658676 (E_RNA) where: Base-Base interactions energy: -257.895 where: short stacking energy: -181.488 Base-Backbone interact. energy: -0.799 local terms energy: -396.963851 where: bonds (distance) C4'-P energy: -129.395 bonds (distance) P-C4' energy: -134.983 flat angles C4'-P-C4' energy: -102.584 flat angles P-C4'-P energy: -68.386 tors. eta vs tors. theta energy: 38.386 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: 1, replica: 10 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -2063.044808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.044808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.044808 (E_RNA) where: Base-Base interactions energy: -1307.334 where: short stacking energy: -634.017 Base-Backbone interact. energy: 2.012 local terms energy: -757.723285 where: bonds (distance) C4'-P energy: -166.076 bonds (distance) P-C4' energy: -170.189 flat angles C4'-P-C4' energy: -160.922 flat angles P-C4'-P energy: -108.427 tors. eta vs tors. theta energy: -152.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1726.065632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.065632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.065632 (E_RNA) where: Base-Base interactions energy: -964.605 where: short stacking energy: -568.945 Base-Backbone interact. energy: -4.399 local terms energy: -757.061393 where: bonds (distance) C4'-P energy: -171.525 bonds (distance) P-C4' energy: -176.612 flat angles C4'-P-C4' energy: -159.144 flat angles P-C4'-P energy: -106.771 tors. eta vs tors. theta energy: -143.009 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: 3, replica: 4 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1794.486324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.486324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.486324 (E_RNA) where: Base-Base interactions energy: -1081.618 where: short stacking energy: -550.880 Base-Backbone interact. energy: -3.901 local terms energy: -708.967401 where: bonds (distance) C4'-P energy: -140.016 bonds (distance) P-C4' energy: -160.603 flat angles C4'-P-C4' energy: -155.354 flat angles P-C4'-P energy: -103.408 tors. eta vs tors. theta energy: -149.586 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: 1 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1379.471946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.471946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.471946 (E_RNA) where: Base-Base interactions energy: -737.964 where: short stacking energy: -414.844 Base-Backbone interact. energy: -1.847 local terms energy: -639.660881 where: bonds (distance) C4'-P energy: -137.502 bonds (distance) P-C4' energy: -158.110 flat angles C4'-P-C4' energy: -155.430 flat angles P-C4'-P energy: -95.805 tors. eta vs tors. theta energy: -92.814 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: 8 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1427.582362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.582362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.582362 (E_RNA) where: Base-Base interactions energy: -831.687 where: short stacking energy: -426.859 Base-Backbone interact. energy: 4.560 local terms energy: -600.455100 where: bonds (distance) C4'-P energy: -137.107 bonds (distance) P-C4' energy: -148.675 flat angles C4'-P-C4' energy: -139.471 flat angles P-C4'-P energy: -89.710 tors. eta vs tors. theta energy: -85.492 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: 2 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1244.776989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.776989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.776989 (E_RNA) where: Base-Base interactions energy: -678.675 where: short stacking energy: -377.774 Base-Backbone interact. energy: 2.925 local terms energy: -569.026924 where: bonds (distance) C4'-P energy: -117.309 bonds (distance) P-C4' energy: -162.855 flat angles C4'-P-C4' energy: -136.931 flat angles P-C4'-P energy: -77.223 tors. eta vs tors. theta energy: -74.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -1014.393039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.393039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.393039 (E_RNA) where: Base-Base interactions energy: -528.777 where: short stacking energy: -309.470 Base-Backbone interact. energy: 2.947 local terms energy: -488.563331 where: bonds (distance) C4'-P energy: -136.143 bonds (distance) P-C4' energy: -111.138 flat angles C4'-P-C4' energy: -136.158 flat angles P-C4'-P energy: -72.877 tors. eta vs tors. theta energy: -32.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -897.242479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.242479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.242479 (E_RNA) where: Base-Base interactions energy: -394.107 where: short stacking energy: -271.430 Base-Backbone interact. energy: 0.669 local terms energy: -503.804112 where: bonds (distance) C4'-P energy: -139.946 bonds (distance) P-C4' energy: -144.596 flat angles C4'-P-C4' energy: -131.145 flat angles P-C4'-P energy: -93.196 tors. eta vs tors. theta energy: 5.078 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: 9 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -776.367265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.367265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.367265 (E_RNA) where: Base-Base interactions energy: -277.993 where: short stacking energy: -222.615 Base-Backbone interact. energy: 1.902 local terms energy: -500.276639 where: bonds (distance) C4'-P energy: -144.728 bonds (distance) P-C4' energy: -145.843 flat angles C4'-P-C4' energy: -129.896 flat angles P-C4'-P energy: -80.434 tors. eta vs tors. theta energy: 0.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -658.044107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.044107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.044107 (E_RNA) where: Base-Base interactions energy: -256.479 where: short stacking energy: -168.929 Base-Backbone interact. energy: -3.236 local terms energy: -398.329427 where: bonds (distance) C4'-P energy: -127.733 bonds (distance) P-C4' energy: -137.550 flat angles C4'-P-C4' energy: -110.926 flat angles P-C4'-P energy: -49.901 tors. eta vs tors. theta energy: 27.781 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: 1, replica: 10 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -2160.990150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.990150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.990150 (E_RNA) where: Base-Base interactions energy: -1372.772 where: short stacking energy: -683.435 Base-Backbone interact. energy: 1.464 local terms energy: -789.681341 where: bonds (distance) C4'-P energy: -168.362 bonds (distance) P-C4' energy: -162.440 flat angles C4'-P-C4' energy: -179.958 flat angles P-C4'-P energy: -100.641 tors. eta vs tors. theta energy: -178.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1811.881512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.881512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.881512 (E_RNA) where: Base-Base interactions energy: -1071.467 where: short stacking energy: -587.488 Base-Backbone interact. energy: -0.107 local terms energy: -740.307607 where: bonds (distance) C4'-P energy: -142.762 bonds (distance) P-C4' energy: -158.962 flat angles C4'-P-C4' energy: -181.746 flat angles P-C4'-P energy: -104.168 tors. eta vs tors. theta energy: -152.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1801.949354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.949354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.949354 (E_RNA) where: Base-Base interactions energy: -1108.658 where: short stacking energy: -516.542 Base-Backbone interact. energy: -1.669 local terms energy: -691.622183 where: bonds (distance) C4'-P energy: -144.020 bonds (distance) P-C4' energy: -162.813 flat angles C4'-P-C4' energy: -161.158 flat angles P-C4'-P energy: -99.435 tors. eta vs tors. theta energy: -124.197 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: 8 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1591.893090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.893090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.893090 (E_RNA) where: Base-Base interactions energy: -946.901 where: short stacking energy: -502.798 Base-Backbone interact. energy: -1.726 local terms energy: -643.266177 where: bonds (distance) C4'-P energy: -147.160 bonds (distance) P-C4' energy: -163.511 flat angles C4'-P-C4' energy: -144.137 flat angles P-C4'-P energy: -85.914 tors. eta vs tors. theta energy: -102.544 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: 5, replica: 1 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1307.105068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.105068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.105068 (E_RNA) where: Base-Base interactions energy: -683.457 where: short stacking energy: -422.219 Base-Backbone interact. energy: -2.752 local terms energy: -620.896955 where: bonds (distance) C4'-P energy: -144.157 bonds (distance) P-C4' energy: -157.667 flat angles C4'-P-C4' energy: -155.308 flat angles P-C4'-P energy: -103.809 tors. eta vs tors. theta energy: -59.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1260.849567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.849567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.849567 (E_RNA) where: Base-Base interactions energy: -695.002 where: short stacking energy: -363.113 Base-Backbone interact. energy: -2.645 local terms energy: -563.202433 where: bonds (distance) C4'-P energy: -141.519 bonds (distance) P-C4' energy: -129.307 flat angles C4'-P-C4' energy: -149.928 flat angles P-C4'-P energy: -76.109 tors. eta vs tors. theta energy: -66.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -1021.531236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.531236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.531236 (E_RNA) where: Base-Base interactions energy: -529.929 where: short stacking energy: -308.604 Base-Backbone interact. energy: -4.467 local terms energy: -487.134626 where: bonds (distance) C4'-P energy: -146.883 bonds (distance) P-C4' energy: -132.076 flat angles C4'-P-C4' energy: -120.432 flat angles P-C4'-P energy: -71.059 tors. eta vs tors. theta energy: -16.685 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: 8, replica: 6 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -803.285393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.285393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.285393 (E_RNA) where: Base-Base interactions energy: -364.832 where: short stacking energy: -231.652 Base-Backbone interact. energy: -1.585 local terms energy: -436.868554 where: bonds (distance) C4'-P energy: -145.682 bonds (distance) P-C4' energy: -141.048 flat angles C4'-P-C4' energy: -108.273 flat angles P-C4'-P energy: -46.803 tors. eta vs tors. theta energy: 4.938 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: 9, replica: 9 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -742.525315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.525315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.525315 (E_RNA) where: Base-Base interactions energy: -315.751 where: short stacking energy: -215.822 Base-Backbone interact. energy: -0.482 local terms energy: -426.292620 where: bonds (distance) C4'-P energy: -117.799 bonds (distance) P-C4' energy: -151.807 flat angles C4'-P-C4' energy: -98.647 flat angles P-C4'-P energy: -45.113 tors. eta vs tors. theta energy: -12.927 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: 10, replica: 7 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -605.449133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.449133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.449133 (E_RNA) where: Base-Base interactions energy: -205.785 where: short stacking energy: -186.181 Base-Backbone interact. energy: 5.709 local terms energy: -405.373734 where: bonds (distance) C4'-P energy: -125.594 bonds (distance) P-C4' energy: -128.515 flat angles C4'-P-C4' energy: -101.036 flat angles P-C4'-P energy: -63.330 tors. eta vs tors. theta energy: 13.101 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: 10 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -2137.829391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.829391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.829391 (E_RNA) where: Base-Base interactions energy: -1367.935 where: short stacking energy: -643.932 Base-Backbone interact. energy: -0.320 local terms energy: -769.573572 where: bonds (distance) C4'-P energy: -164.557 bonds (distance) P-C4' energy: -164.963 flat angles C4'-P-C4' energy: -168.751 flat angles P-C4'-P energy: -112.676 tors. eta vs tors. theta energy: -158.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1839.137999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.137999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.137999 (E_RNA) where: Base-Base interactions energy: -1119.704 where: short stacking energy: -601.453 Base-Backbone interact. energy: -2.856 local terms energy: -716.578606 where: bonds (distance) C4'-P energy: -145.823 bonds (distance) P-C4' energy: -163.443 flat angles C4'-P-C4' energy: -168.869 flat angles P-C4'-P energy: -85.920 tors. eta vs tors. theta energy: -152.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1862.692995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.692995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.692995 (E_RNA) where: Base-Base interactions energy: -1158.571 where: short stacking energy: -540.821 Base-Backbone interact. energy: -2.343 local terms energy: -701.779273 where: bonds (distance) C4'-P energy: -155.068 bonds (distance) P-C4' energy: -157.216 flat angles C4'-P-C4' energy: -153.385 flat angles P-C4'-P energy: -101.763 tors. eta vs tors. theta energy: -134.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1728.024453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.024453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.024453 (E_RNA) where: Base-Base interactions energy: -1080.081 where: short stacking energy: -496.799 Base-Backbone interact. energy: -2.305 local terms energy: -645.638605 where: bonds (distance) C4'-P energy: -139.164 bonds (distance) P-C4' energy: -146.387 flat angles C4'-P-C4' energy: -153.701 flat angles P-C4'-P energy: -97.809 tors. eta vs tors. theta energy: -108.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1350.419514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.419514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.419514 (E_RNA) where: Base-Base interactions energy: -736.776 where: short stacking energy: -409.319 Base-Backbone interact. energy: -2.114 local terms energy: -611.529969 where: bonds (distance) C4'-P energy: -152.897 bonds (distance) P-C4' energy: -151.129 flat angles C4'-P-C4' energy: -132.614 flat angles P-C4'-P energy: -99.430 tors. eta vs tors. theta energy: -75.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1178.847374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.847374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.847374 (E_RNA) where: Base-Base interactions energy: -630.765 where: short stacking energy: -356.307 Base-Backbone interact. energy: -1.155 local terms energy: -546.927012 where: bonds (distance) C4'-P energy: -137.466 bonds (distance) P-C4' energy: -143.850 flat angles C4'-P-C4' energy: -141.629 flat angles P-C4'-P energy: -78.290 tors. eta vs tors. theta energy: -45.692 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: 5 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -1116.070366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.070366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.070366 (E_RNA) where: Base-Base interactions energy: -607.903 where: short stacking energy: -363.649 Base-Backbone interact. energy: 3.459 local terms energy: -511.626388 where: bonds (distance) C4'-P energy: -120.598 bonds (distance) P-C4' energy: -148.246 flat angles C4'-P-C4' energy: -131.321 flat angles P-C4'-P energy: -57.163 tors. eta vs tors. theta energy: -54.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -861.569531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.569531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.569531 (E_RNA) where: Base-Base interactions energy: -382.432 where: short stacking energy: -231.179 Base-Backbone interact. energy: -0.652 local terms energy: -478.485304 where: bonds (distance) C4'-P energy: -139.103 bonds (distance) P-C4' energy: -149.448 flat angles C4'-P-C4' energy: -98.484 flat angles P-C4'-P energy: -83.469 tors. eta vs tors. theta energy: -7.981 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: 9, replica: 9 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -636.281007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.281007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.281007 (E_RNA) where: Base-Base interactions energy: -205.614 where: short stacking energy: -145.417 Base-Backbone interact. energy: -1.994 local terms energy: -428.673558 where: bonds (distance) C4'-P energy: -134.177 bonds (distance) P-C4' energy: -151.038 flat angles C4'-P-C4' energy: -106.764 flat angles P-C4'-P energy: -78.648 tors. eta vs tors. theta energy: 41.954 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: 7 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -621.375640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.375640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.375640 (E_RNA) where: Base-Base interactions energy: -221.945 where: short stacking energy: -164.964 Base-Backbone interact. energy: -1.862 local terms energy: -397.568858 where: bonds (distance) C4'-P energy: -122.914 bonds (distance) P-C4' energy: -124.756 flat angles C4'-P-C4' energy: -97.973 flat angles P-C4'-P energy: -72.131 tors. eta vs tors. theta energy: 20.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -2159.285357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.285357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.285357 (E_RNA) where: Base-Base interactions energy: -1390.554 where: short stacking energy: -635.745 Base-Backbone interact. energy: 0.585 local terms energy: -769.316430 where: bonds (distance) C4'-P energy: -168.992 bonds (distance) P-C4' energy: -175.484 flat angles C4'-P-C4' energy: -172.441 flat angles P-C4'-P energy: -94.302 tors. eta vs tors. theta energy: -158.097 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: 3 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1861.924110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.924110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.924110 (E_RNA) where: Base-Base interactions energy: -1120.099 where: short stacking energy: -591.906 Base-Backbone interact. energy: -4.291 local terms energy: -737.534114 where: bonds (distance) C4'-P energy: -151.566 bonds (distance) P-C4' energy: -153.444 flat angles C4'-P-C4' energy: -163.149 flat angles P-C4'-P energy: -107.647 tors. eta vs tors. theta energy: -161.728 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: 21 Temperature: 1.000000 Total energy: -1932.614868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.614868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.614868 (E_RNA) where: Base-Base interactions energy: -1246.018 where: short stacking energy: -586.247 Base-Backbone interact. energy: -1.770 local terms energy: -684.826666 where: bonds (distance) C4'-P energy: -137.967 bonds (distance) P-C4' energy: -135.138 flat angles C4'-P-C4' energy: -157.048 flat angles P-C4'-P energy: -113.967 tors. eta vs tors. theta energy: -140.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1764.299743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.299743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.299743 (E_RNA) where: Base-Base interactions energy: -1103.761 where: short stacking energy: -501.055 Base-Backbone interact. energy: -2.363 local terms energy: -658.174916 where: bonds (distance) C4'-P energy: -154.522 bonds (distance) P-C4' energy: -148.529 flat angles C4'-P-C4' energy: -151.030 flat angles P-C4'-P energy: -95.595 tors. eta vs tors. theta energy: -108.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1352.698502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.698502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.698502 (E_RNA) where: Base-Base interactions energy: -763.594 where: short stacking energy: -410.362 Base-Backbone interact. energy: 0.933 local terms energy: -590.037327 where: bonds (distance) C4'-P energy: -149.213 bonds (distance) P-C4' energy: -137.154 flat angles C4'-P-C4' energy: -136.027 flat angles P-C4'-P energy: -112.094 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: 6, replica: 1 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1198.040437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.040437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.040437 (E_RNA) where: Base-Base interactions energy: -665.353 where: short stacking energy: -354.678 Base-Backbone interact. energy: -0.358 local terms energy: -532.329273 where: bonds (distance) C4'-P energy: -125.333 bonds (distance) P-C4' energy: -140.441 flat angles C4'-P-C4' energy: -133.096 flat angles P-C4'-P energy: -87.169 tors. eta vs tors. theta energy: -46.290 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: 7, replica: 5 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -1194.348399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.348399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.348399 (E_RNA) where: Base-Base interactions energy: -652.835 where: short stacking energy: -354.955 Base-Backbone interact. energy: 0.837 local terms energy: -542.350241 where: bonds (distance) C4'-P energy: -125.806 bonds (distance) P-C4' energy: -143.532 flat angles C4'-P-C4' energy: -139.614 flat angles P-C4'-P energy: -92.947 tors. eta vs tors. theta energy: -40.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -988.744060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.744060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.744060 (E_RNA) where: Base-Base interactions energy: -507.390 where: short stacking energy: -272.303 Base-Backbone interact. energy: -2.131 local terms energy: -479.223088 where: bonds (distance) C4'-P energy: -146.383 bonds (distance) P-C4' energy: -139.595 flat angles C4'-P-C4' energy: -129.157 flat angles P-C4'-P energy: -55.002 tors. eta vs tors. theta energy: -9.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -638.751036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.751036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.751036 (E_RNA) where: Base-Base interactions energy: -204.486 where: short stacking energy: -177.435 Base-Backbone interact. energy: 1.464 local terms energy: -435.729170 where: bonds (distance) C4'-P energy: -136.933 bonds (distance) P-C4' energy: -134.548 flat angles C4'-P-C4' energy: -128.161 flat angles P-C4'-P energy: -60.153 tors. eta vs tors. theta energy: 24.066 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: 10, replica: 7 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -694.411170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.411170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.411170 (E_RNA) where: Base-Base interactions energy: -296.472 where: short stacking energy: -153.900 Base-Backbone interact. energy: 3.324 local terms energy: -401.263445 where: bonds (distance) C4'-P energy: -147.909 bonds (distance) P-C4' energy: -121.764 flat angles C4'-P-C4' energy: -105.835 flat angles P-C4'-P energy: -60.414 tors. eta vs tors. theta energy: 34.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -2209.456005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.456005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.456005 (E_RNA) where: Base-Base interactions energy: -1455.497 where: short stacking energy: -648.428 Base-Backbone interact. energy: -4.768 local terms energy: -749.190830 where: bonds (distance) C4'-P energy: -155.610 bonds (distance) P-C4' energy: -166.964 flat angles C4'-P-C4' energy: -157.700 flat angles P-C4'-P energy: -101.607 tors. eta vs tors. theta energy: -167.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1967.364548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.364548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.364548 (E_RNA) where: Base-Base interactions energy: -1187.783 where: short stacking energy: -642.102 Base-Backbone interact. energy: 1.329 local terms energy: -780.910329 where: bonds (distance) C4'-P energy: -156.780 bonds (distance) P-C4' energy: -163.181 flat angles C4'-P-C4' energy: -180.090 flat angles P-C4'-P energy: -116.633 tors. eta vs tors. theta energy: -164.226 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: 4 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -2040.733204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.733204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.733204 (E_RNA) where: Base-Base interactions energy: -1307.458 where: short stacking energy: -595.676 Base-Backbone interact. energy: -6.473 local terms energy: -726.802615 where: bonds (distance) C4'-P energy: -134.839 bonds (distance) P-C4' energy: -167.364 flat angles C4'-P-C4' energy: -172.895 flat angles P-C4'-P energy: -86.045 tors. eta vs tors. theta energy: -165.660 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: 4, replica: 8 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1780.556389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.556389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.556389 (E_RNA) where: Base-Base interactions energy: -1114.083 where: short stacking energy: -512.768 Base-Backbone interact. energy: -4.314 local terms energy: -662.159323 where: bonds (distance) C4'-P energy: -148.141 bonds (distance) P-C4' energy: -144.710 flat angles C4'-P-C4' energy: -150.316 flat angles P-C4'-P energy: -109.307 tors. eta vs tors. theta energy: -109.685 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: 2 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1389.257895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.257895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.257895 (E_RNA) where: Base-Base interactions energy: -768.473 where: short stacking energy: -425.985 Base-Backbone interact. energy: 0.782 local terms energy: -621.566816 where: bonds (distance) C4'-P energy: -147.947 bonds (distance) P-C4' energy: -157.037 flat angles C4'-P-C4' energy: -152.104 flat angles P-C4'-P energy: -79.901 tors. eta vs tors. theta energy: -84.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1368.110825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.110825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.110825 (E_RNA) where: Base-Base interactions energy: -769.195 where: short stacking energy: -397.491 Base-Backbone interact. energy: -4.810 local terms energy: -594.105564 where: bonds (distance) C4'-P energy: -137.277 bonds (distance) P-C4' energy: -149.921 flat angles C4'-P-C4' energy: -153.503 flat angles P-C4'-P energy: -88.782 tors. eta vs tors. theta energy: -64.622 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: 5 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -1257.460593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.460593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.460593 (E_RNA) where: Base-Base interactions energy: -731.118 where: short stacking energy: -365.973 Base-Backbone interact. energy: -0.503 local terms energy: -525.839873 where: bonds (distance) C4'-P energy: -125.449 bonds (distance) P-C4' energy: -155.177 flat angles C4'-P-C4' energy: -137.586 flat angles P-C4'-P energy: -59.528 tors. eta vs tors. theta energy: -48.099 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: 8, replica: 6 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -1008.918641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.918641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.918641 (E_RNA) where: Base-Base interactions energy: -520.263 where: short stacking energy: -286.835 Base-Backbone interact. energy: -2.004 local terms energy: -486.651168 where: bonds (distance) C4'-P energy: -131.008 bonds (distance) P-C4' energy: -137.959 flat angles C4'-P-C4' energy: -138.185 flat angles P-C4'-P energy: -70.640 tors. eta vs tors. theta energy: -8.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -662.430789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.430789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.430789 (E_RNA) where: Base-Base interactions energy: -236.382 where: short stacking energy: -194.710 Base-Backbone interact. energy: 0.724 local terms energy: -426.772786 where: bonds (distance) C4'-P energy: -112.780 bonds (distance) P-C4' energy: -143.609 flat angles C4'-P-C4' energy: -108.880 flat angles P-C4'-P energy: -84.415 tors. eta vs tors. theta energy: 22.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -705.592663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.592663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.592663 (E_RNA) where: Base-Base interactions energy: -283.358 where: short stacking energy: -193.142 Base-Backbone interact. energy: 1.607 local terms energy: -423.841666 where: bonds (distance) C4'-P energy: -123.491 bonds (distance) P-C4' energy: -140.626 flat angles C4'-P-C4' energy: -117.623 flat angles P-C4'-P energy: -75.192 tors. eta vs tors. theta energy: 33.090 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: 10 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -2238.660949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.660949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.660949 (E_RNA) where: Base-Base interactions energy: -1492.514 where: short stacking energy: -656.318 Base-Backbone interact. energy: -3.940 local terms energy: -742.207728 where: bonds (distance) C4'-P energy: -146.282 bonds (distance) P-C4' energy: -156.921 flat angles C4'-P-C4' energy: -167.779 flat angles P-C4'-P energy: -99.650 tors. eta vs tors. theta energy: -171.575 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: 2, replica: 4 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -2129.735033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.735033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.735033 (E_RNA) where: Base-Base interactions energy: -1343.658 where: short stacking energy: -619.986 Base-Backbone interact. energy: -4.362 local terms energy: -781.715779 where: bonds (distance) C4'-P energy: -163.947 bonds (distance) P-C4' energy: -176.121 flat angles C4'-P-C4' energy: -182.415 flat angles P-C4'-P energy: -94.992 tors. eta vs tors. theta energy: -164.240 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: 3, replica: 3 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1908.164406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.164406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.164406 (E_RNA) where: Base-Base interactions energy: -1166.945 where: short stacking energy: -601.862 Base-Backbone interact. energy: -0.225 local terms energy: -740.994258 where: bonds (distance) C4'-P energy: -138.373 bonds (distance) P-C4' energy: -172.300 flat angles C4'-P-C4' energy: -167.110 flat angles P-C4'-P energy: -101.917 tors. eta vs tors. theta energy: -161.293 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: 8 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1844.729573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.729573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.729573 (E_RNA) where: Base-Base interactions energy: -1166.645 where: short stacking energy: -551.842 Base-Backbone interact. energy: -0.046 local terms energy: -678.038781 where: bonds (distance) C4'-P energy: -148.245 bonds (distance) P-C4' energy: -129.735 flat angles C4'-P-C4' energy: -166.941 flat angles P-C4'-P energy: -109.766 tors. eta vs tors. theta energy: -123.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1403.809154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.809154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.809154 (E_RNA) where: Base-Base interactions energy: -802.209 where: short stacking energy: -428.823 Base-Backbone interact. energy: -3.048 local terms energy: -598.552145 where: bonds (distance) C4'-P energy: -143.642 bonds (distance) P-C4' energy: -165.019 flat angles C4'-P-C4' energy: -138.297 flat angles P-C4'-P energy: -75.814 tors. eta vs tors. theta energy: -75.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1386.954038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.954038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.954038 (E_RNA) where: Base-Base interactions energy: -811.848 where: short stacking energy: -400.093 Base-Backbone interact. energy: -0.983 local terms energy: -574.122314 where: bonds (distance) C4'-P energy: -142.836 bonds (distance) P-C4' energy: -145.576 flat angles C4'-P-C4' energy: -132.360 flat angles P-C4'-P energy: -84.377 tors. eta vs tors. theta energy: -68.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -1214.037298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.037298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.037298 (E_RNA) where: Base-Base interactions energy: -670.531 where: short stacking energy: -321.795 Base-Backbone interact. energy: -0.375 local terms energy: -543.130893 where: bonds (distance) C4'-P energy: -134.434 bonds (distance) P-C4' energy: -148.626 flat angles C4'-P-C4' energy: -138.205 flat angles P-C4'-P energy: -78.775 tors. eta vs tors. theta energy: -43.091 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: 6 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -1067.166103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.166103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.166103 (E_RNA) where: Base-Base interactions energy: -594.670 where: short stacking energy: -312.315 Base-Backbone interact. energy: -3.135 local terms energy: -469.361312 where: bonds (distance) C4'-P energy: -112.915 bonds (distance) P-C4' energy: -135.399 flat angles C4'-P-C4' energy: -124.405 flat angles P-C4'-P energy: -64.248 tors. eta vs tors. theta energy: -32.394 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: 9, replica: 9 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -677.940111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.940111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.940111 (E_RNA) where: Base-Base interactions energy: -243.822 where: short stacking energy: -194.317 Base-Backbone interact. energy: -2.817 local terms energy: -431.301850 where: bonds (distance) C4'-P energy: -128.928 bonds (distance) P-C4' energy: -134.629 flat angles C4'-P-C4' energy: -120.987 flat angles P-C4'-P energy: -69.121 tors. eta vs tors. theta energy: 22.362 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: 7 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -677.808509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.808509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.808509 (E_RNA) where: Base-Base interactions energy: -310.375 where: short stacking energy: -211.325 Base-Backbone interact. energy: 6.420 local terms energy: -373.853017 where: bonds (distance) C4'-P energy: -119.231 bonds (distance) P-C4' energy: -130.520 flat angles C4'-P-C4' energy: -100.316 flat angles P-C4'-P energy: -38.586 tors. eta vs tors. theta energy: 14.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -2220.936194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.936194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.936194 (E_RNA) where: Base-Base interactions energy: -1436.992 where: short stacking energy: -686.365 Base-Backbone interact. energy: 2.010 local terms energy: -785.954293 where: bonds (distance) C4'-P energy: -146.568 bonds (distance) P-C4' energy: -175.546 flat angles C4'-P-C4' energy: -176.058 flat angles P-C4'-P energy: -116.086 tors. eta vs tors. theta energy: -171.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -2090.300598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.300598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.300598 (E_RNA) where: Base-Base interactions energy: -1309.712 where: short stacking energy: -612.042 Base-Backbone interact. energy: -0.196 local terms energy: -780.393088 where: bonds (distance) C4'-P energy: -162.524 bonds (distance) P-C4' energy: -166.078 flat angles C4'-P-C4' energy: -191.220 flat angles P-C4'-P energy: -94.724 tors. eta vs tors. theta energy: -165.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1857.546425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.546425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.546425 (E_RNA) where: Base-Base interactions energy: -1137.913 where: short stacking energy: -594.623 Base-Backbone interact. energy: 2.178 local terms energy: -721.812145 where: bonds (distance) C4'-P energy: -151.577 bonds (distance) P-C4' energy: -162.020 flat angles C4'-P-C4' energy: -146.363 flat angles P-C4'-P energy: -111.081 tors. eta vs tors. theta energy: -150.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1892.525320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.525320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.525320 (E_RNA) where: Base-Base interactions energy: -1186.087 where: short stacking energy: -554.620 Base-Backbone interact. energy: -4.243 local terms energy: -702.195715 where: bonds (distance) C4'-P energy: -141.846 bonds (distance) P-C4' energy: -164.645 flat angles C4'-P-C4' energy: -157.857 flat angles P-C4'-P energy: -96.050 tors. eta vs tors. theta energy: -141.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1417.088555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.088555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.088555 (E_RNA) where: Base-Base interactions energy: -779.401 where: short stacking energy: -424.925 Base-Backbone interact. energy: -2.399 local terms energy: -635.288240 where: bonds (distance) C4'-P energy: -153.447 bonds (distance) P-C4' energy: -147.427 flat angles C4'-P-C4' energy: -152.372 flat angles P-C4'-P energy: -101.039 tors. eta vs tors. theta energy: -81.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1370.997324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.997324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.997324 (E_RNA) where: Base-Base interactions energy: -783.362 where: short stacking energy: -387.902 Base-Backbone interact. energy: 0.737 local terms energy: -588.372468 where: bonds (distance) C4'-P energy: -141.681 bonds (distance) P-C4' energy: -136.966 flat angles C4'-P-C4' energy: -161.500 flat angles P-C4'-P energy: -91.131 tors. eta vs tors. theta energy: -57.095 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: 5 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -1158.429885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.429885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.429885 (E_RNA) where: Base-Base interactions energy: -667.828 where: short stacking energy: -362.673 Base-Backbone interact. energy: -1.077 local terms energy: -489.524221 where: bonds (distance) C4'-P energy: -133.865 bonds (distance) P-C4' energy: -112.854 flat angles C4'-P-C4' energy: -114.225 flat angles P-C4'-P energy: -80.131 tors. eta vs tors. theta energy: -48.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -1031.664164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.664164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.664164 (E_RNA) where: Base-Base interactions energy: -532.971 where: short stacking energy: -264.026 Base-Backbone interact. energy: 1.977 local terms energy: -500.670089 where: bonds (distance) C4'-P energy: -132.744 bonds (distance) P-C4' energy: -148.434 flat angles C4'-P-C4' energy: -134.997 flat angles P-C4'-P energy: -75.823 tors. eta vs tors. theta energy: -8.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -742.035753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.035753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.035753 (E_RNA) where: Base-Base interactions energy: -314.582 where: short stacking energy: -225.293 Base-Backbone interact. energy: 1.493 local terms energy: -428.946572 where: bonds (distance) C4'-P energy: -133.328 bonds (distance) P-C4' energy: -145.887 flat angles C4'-P-C4' energy: -99.069 flat angles P-C4'-P energy: -58.871 tors. eta vs tors. theta energy: 8.207 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: 10, replica: 9 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -665.167273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.167273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.167273 (E_RNA) where: Base-Base interactions energy: -266.494 where: short stacking energy: -192.062 Base-Backbone interact. energy: 4.905 local terms energy: -403.578334 where: bonds (distance) C4'-P energy: -131.828 bonds (distance) P-C4' energy: -120.119 flat angles C4'-P-C4' energy: -115.270 flat angles P-C4'-P energy: -49.602 tors. eta vs tors. theta energy: 13.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -2249.194537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.194537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.194537 (E_RNA) where: Base-Base interactions energy: -1485.511 where: short stacking energy: -675.346 Base-Backbone interact. energy: -4.480 local terms energy: -759.203999 where: bonds (distance) C4'-P energy: -164.729 bonds (distance) P-C4' energy: -163.601 flat angles C4'-P-C4' energy: -169.137 flat angles P-C4'-P energy: -94.996 tors. eta vs tors. theta energy: -166.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -2158.262640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.262640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.262640 (E_RNA) where: Base-Base interactions energy: -1354.073 where: short stacking energy: -596.598 Base-Backbone interact. energy: -5.205 local terms energy: -798.983864 where: bonds (distance) C4'-P energy: -158.474 bonds (distance) P-C4' energy: -179.301 flat angles C4'-P-C4' energy: -180.382 flat angles P-C4'-P energy: -113.800 tors. eta vs tors. theta energy: -167.026 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: 3 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1864.736550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.736550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.736550 (E_RNA) where: Base-Base interactions energy: -1148.725 where: short stacking energy: -573.014 Base-Backbone interact. energy: -1.558 local terms energy: -714.454003 where: bonds (distance) C4'-P energy: -159.925 bonds (distance) P-C4' energy: -153.681 flat angles C4'-P-C4' energy: -153.494 flat angles P-C4'-P energy: -95.778 tors. eta vs tors. theta energy: -151.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1956.351400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.351400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.351400 (E_RNA) where: Base-Base interactions energy: -1235.707 where: short stacking energy: -559.319 Base-Backbone interact. energy: 0.236 local terms energy: -720.880460 where: bonds (distance) C4'-P energy: -145.898 bonds (distance) P-C4' energy: -154.411 flat angles C4'-P-C4' energy: -161.469 flat angles P-C4'-P energy: -115.192 tors. eta vs tors. theta energy: -143.911 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: 5, replica: 2 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1468.996471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.996471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.996471 (E_RNA) where: Base-Base interactions energy: -871.012 where: short stacking energy: -424.718 Base-Backbone interact. energy: -0.987 local terms energy: -596.996899 where: bonds (distance) C4'-P energy: -146.515 bonds (distance) P-C4' energy: -133.748 flat angles C4'-P-C4' energy: -151.944 flat angles P-C4'-P energy: -83.753 tors. eta vs tors. theta energy: -81.037 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: 1 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1355.369396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.369396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.369396 (E_RNA) where: Base-Base interactions energy: -757.699 where: short stacking energy: -388.718 Base-Backbone interact. energy: -0.377 local terms energy: -597.293546 where: bonds (distance) C4'-P energy: -153.156 bonds (distance) P-C4' energy: -139.235 flat angles C4'-P-C4' energy: -137.620 flat angles P-C4'-P energy: -77.632 tors. eta vs tors. theta energy: -89.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -1247.592406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.592406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.592406 (E_RNA) where: Base-Base interactions energy: -712.313 where: short stacking energy: -360.467 Base-Backbone interact. energy: 1.322 local terms energy: -536.600955 where: bonds (distance) C4'-P energy: -150.166 bonds (distance) P-C4' energy: -132.736 flat angles C4'-P-C4' energy: -125.788 flat angles P-C4'-P energy: -71.600 tors. eta vs tors. theta energy: -56.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -1058.217583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.217583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.217583 (E_RNA) where: Base-Base interactions energy: -567.635 where: short stacking energy: -286.049 Base-Backbone interact. energy: 4.685 local terms energy: -495.267559 where: bonds (distance) C4'-P energy: -126.978 bonds (distance) P-C4' energy: -134.169 flat angles C4'-P-C4' energy: -128.857 flat angles P-C4'-P energy: -80.903 tors. eta vs tors. theta energy: -24.360 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: 7 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -821.955680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.955680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.955680 (E_RNA) where: Base-Base interactions energy: -399.200 where: short stacking energy: -242.021 Base-Backbone interact. energy: 6.943 local terms energy: -429.698763 where: bonds (distance) C4'-P energy: -114.805 bonds (distance) P-C4' energy: -154.793 flat angles C4'-P-C4' energy: -118.245 flat angles P-C4'-P energy: -45.337 tors. eta vs tors. theta energy: 3.481 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: 9 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -611.444019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.444019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.444019 (E_RNA) where: Base-Base interactions energy: -212.068 where: short stacking energy: -190.324 Base-Backbone interact. energy: 2.623 local terms energy: -401.999389 where: bonds (distance) C4'-P energy: -129.588 bonds (distance) P-C4' energy: -145.042 flat angles C4'-P-C4' energy: -107.018 flat angles P-C4'-P energy: -54.355 tors. eta vs tors. theta energy: 34.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -2277.110630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.110630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.110630 (E_RNA) where: Base-Base interactions energy: -1511.732 where: short stacking energy: -678.123 Base-Backbone interact. energy: -2.899 local terms energy: -762.480035 where: bonds (distance) C4'-P energy: -153.670 bonds (distance) P-C4' energy: -164.076 flat angles C4'-P-C4' energy: -174.108 flat angles P-C4'-P energy: -106.470 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: 2, replica: 4 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -2188.345668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.345668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.345668 (E_RNA) where: Base-Base interactions energy: -1409.750 where: short stacking energy: -634.321 Base-Backbone interact. energy: -2.392 local terms energy: -776.203622 where: bonds (distance) C4'-P energy: -149.709 bonds (distance) P-C4' energy: -167.289 flat angles C4'-P-C4' energy: -172.118 flat angles P-C4'-P energy: -120.148 tors. eta vs tors. theta energy: -166.940 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: 3, replica: 8 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -2012.834515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.834515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.834515 (E_RNA) where: Base-Base interactions energy: -1269.284 where: short stacking energy: -606.133 Base-Backbone interact. energy: -0.385 local terms energy: -743.165283 where: bonds (distance) C4'-P energy: -166.167 bonds (distance) P-C4' energy: -149.470 flat angles C4'-P-C4' energy: -161.276 flat angles P-C4'-P energy: -110.917 tors. eta vs tors. theta energy: -155.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1817.043340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.043340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.043340 (E_RNA) where: Base-Base interactions energy: -1150.437 where: short stacking energy: -554.105 Base-Backbone interact. energy: -0.274 local terms energy: -666.332411 where: bonds (distance) C4'-P energy: -135.577 bonds (distance) P-C4' energy: -152.513 flat angles C4'-P-C4' energy: -148.451 flat angles P-C4'-P energy: -96.168 tors. eta vs tors. theta energy: -133.624 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: 5, replica: 2 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1472.770046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.770046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.770046 (E_RNA) where: Base-Base interactions energy: -820.270 where: short stacking energy: -423.141 Base-Backbone interact. energy: -1.070 local terms energy: -651.430819 where: bonds (distance) C4'-P energy: -157.792 bonds (distance) P-C4' energy: -156.693 flat angles C4'-P-C4' energy: -162.632 flat angles P-C4'-P energy: -79.131 tors. eta vs tors. theta energy: -95.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1386.992845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.992845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.992845 (E_RNA) where: Base-Base interactions energy: -793.414 where: short stacking energy: -422.462 Base-Backbone interact. energy: 2.278 local terms energy: -595.856678 where: bonds (distance) C4'-P energy: -143.325 bonds (distance) P-C4' energy: -148.105 flat angles C4'-P-C4' energy: -133.890 flat angles P-C4'-P energy: -92.552 tors. eta vs tors. theta energy: -77.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -1237.394122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.394122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.394122 (E_RNA) where: Base-Base interactions energy: -713.321 where: short stacking energy: -377.090 Base-Backbone interact. energy: -2.402 local terms energy: -521.670992 where: bonds (distance) C4'-P energy: -119.994 bonds (distance) P-C4' energy: -144.973 flat angles C4'-P-C4' energy: -123.344 flat angles P-C4'-P energy: -80.057 tors. eta vs tors. theta energy: -53.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -1034.804833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.804833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.804833 (E_RNA) where: Base-Base interactions energy: -539.820 where: short stacking energy: -305.847 Base-Backbone interact. energy: 4.062 local terms energy: -499.046490 where: bonds (distance) C4'-P energy: -122.855 bonds (distance) P-C4' energy: -144.857 flat angles C4'-P-C4' energy: -120.502 flat angles P-C4'-P energy: -64.799 tors. eta vs tors. theta energy: -46.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -822.360370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.360370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.360370 (E_RNA) where: Base-Base interactions energy: -400.550 where: short stacking energy: -243.953 Base-Backbone interact. energy: 8.036 local terms energy: -429.846454 where: bonds (distance) C4'-P energy: -123.658 bonds (distance) P-C4' energy: -141.643 flat angles C4'-P-C4' energy: -111.171 flat angles P-C4'-P energy: -68.459 tors. eta vs tors. theta energy: 15.084 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: 10, replica: 9 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -595.777109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.777109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.777109 (E_RNA) where: Base-Base interactions energy: -186.034 where: short stacking energy: -158.979 Base-Backbone interact. energy: 3.412 local terms energy: -413.155393 where: bonds (distance) C4'-P energy: -116.304 bonds (distance) P-C4' energy: -154.292 flat angles C4'-P-C4' energy: -107.744 flat angles P-C4'-P energy: -78.486 tors. eta vs tors. theta energy: 43.671 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: 10 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -2236.890169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.890169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.890169 (E_RNA) where: Base-Base interactions energy: -1467.835 where: short stacking energy: -657.261 Base-Backbone interact. energy: 3.037 local terms energy: -772.092097 where: bonds (distance) C4'-P energy: -151.376 bonds (distance) P-C4' energy: -169.515 flat angles C4'-P-C4' energy: -170.854 flat angles P-C4'-P energy: -114.172 tors. eta vs tors. theta energy: -166.175 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: 4 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -2209.544011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.544011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.544011 (E_RNA) where: Base-Base interactions energy: -1442.831 where: short stacking energy: -626.417 Base-Backbone interact. energy: -6.735 local terms energy: -759.978658 where: bonds (distance) C4'-P energy: -144.140 bonds (distance) P-C4' energy: -175.573 flat angles C4'-P-C4' energy: -163.008 flat angles P-C4'-P energy: -114.315 tors. eta vs tors. theta energy: -162.943 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: 3, replica: 8 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -2008.198063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.198063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.198063 (E_RNA) where: Base-Base interactions energy: -1280.855 where: short stacking energy: -610.518 Base-Backbone interact. energy: -1.227 local terms energy: -726.116721 where: bonds (distance) C4'-P energy: -152.008 bonds (distance) P-C4' energy: -161.570 flat angles C4'-P-C4' energy: -161.690 flat angles P-C4'-P energy: -106.238 tors. eta vs tors. theta energy: -144.611 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: 4, replica: 3 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1826.676435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.676435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.676435 (E_RNA) where: Base-Base interactions energy: -1133.559 where: short stacking energy: -543.307 Base-Backbone interact. energy: 3.958 local terms energy: -697.075092 where: bonds (distance) C4'-P energy: -153.999 bonds (distance) P-C4' energy: -146.356 flat angles C4'-P-C4' energy: -149.690 flat angles P-C4'-P energy: -89.418 tors. eta vs tors. theta energy: -157.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1597.952234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.952234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.952234 (E_RNA) where: Base-Base interactions energy: -982.987 where: short stacking energy: -502.947 Base-Backbone interact. energy: 1.916 local terms energy: -616.881554 where: bonds (distance) C4'-P energy: -126.417 bonds (distance) P-C4' energy: -134.676 flat angles C4'-P-C4' energy: -141.986 flat angles P-C4'-P energy: -95.508 tors. eta vs tors. theta energy: -118.295 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: 6, replica: 1 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1473.859255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.859255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.859255 (E_RNA) where: Base-Base interactions energy: -867.707 where: short stacking energy: -421.783 Base-Backbone interact. energy: -0.627 local terms energy: -605.524948 where: bonds (distance) C4'-P energy: -148.754 bonds (distance) P-C4' energy: -144.210 flat angles C4'-P-C4' energy: -141.540 flat angles P-C4'-P energy: -80.190 tors. eta vs tors. theta energy: -90.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -1191.702529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.702529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.702529 (E_RNA) where: Base-Base interactions energy: -676.005 where: short stacking energy: -351.395 Base-Backbone interact. energy: 1.333 local terms energy: -517.030360 where: bonds (distance) C4'-P energy: -126.644 bonds (distance) P-C4' energy: -153.479 flat angles C4'-P-C4' energy: -128.369 flat angles P-C4'-P energy: -69.110 tors. eta vs tors. theta energy: -39.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -1071.214640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.214640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.214640 (E_RNA) where: Base-Base interactions energy: -563.307 where: short stacking energy: -292.197 Base-Backbone interact. energy: -1.292 local terms energy: -506.615670 where: bonds (distance) C4'-P energy: -141.813 bonds (distance) P-C4' energy: -153.090 flat angles C4'-P-C4' energy: -118.525 flat angles P-C4'-P energy: -80.323 tors. eta vs tors. theta energy: -12.865 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: 7 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -799.031730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.031730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.031730 (E_RNA) where: Base-Base interactions energy: -365.651 where: short stacking energy: -211.771 Base-Backbone interact. energy: -3.564 local terms energy: -429.816236 where: bonds (distance) C4'-P energy: -142.579 bonds (distance) P-C4' energy: -118.231 flat angles C4'-P-C4' energy: -111.963 flat angles P-C4'-P energy: -68.582 tors. eta vs tors. theta energy: 11.538 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: 9 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -586.050658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.050658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.050658 (E_RNA) where: Base-Base interactions energy: -224.392 where: short stacking energy: -186.022 Base-Backbone interact. energy: 1.309 local terms energy: -362.967798 where: bonds (distance) C4'-P energy: -135.426 bonds (distance) P-C4' energy: -111.531 flat angles C4'-P-C4' energy: -99.671 flat angles P-C4'-P energy: -37.292 tors. eta vs tors. theta energy: 20.953 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: 1, replica: 10 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -2255.668678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.668678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.668678 (E_RNA) where: Base-Base interactions energy: -1464.106 where: short stacking energy: -686.988 Base-Backbone interact. energy: -3.761 local terms energy: -787.801977 where: bonds (distance) C4'-P energy: -164.747 bonds (distance) P-C4' energy: -160.437 flat angles C4'-P-C4' energy: -171.466 flat angles P-C4'-P energy: -111.984 tors. eta vs tors. theta energy: -179.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -2189.755146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.755146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.755146 (E_RNA) where: Base-Base interactions energy: -1428.180 where: short stacking energy: -625.807 Base-Backbone interact. energy: -3.151 local terms energy: -758.424067 where: bonds (distance) C4'-P energy: -163.663 bonds (distance) P-C4' energy: -160.625 flat angles C4'-P-C4' energy: -169.792 flat angles P-C4'-P energy: -100.873 tors. eta vs tors. theta energy: -163.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -2068.779360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.779360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.779360 (E_RNA) where: Base-Base interactions energy: -1336.611 where: short stacking energy: -615.533 Base-Backbone interact. energy: -1.540 local terms energy: -730.627836 where: bonds (distance) C4'-P energy: -147.363 bonds (distance) P-C4' energy: -151.148 flat angles C4'-P-C4' energy: -169.009 flat angles P-C4'-P energy: -112.015 tors. eta vs tors. theta energy: -151.093 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: 4, replica: 3 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1820.783700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.783700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.783700 (E_RNA) where: Base-Base interactions energy: -1119.415 where: short stacking energy: -541.429 Base-Backbone interact. energy: 3.368 local terms energy: -704.736745 where: bonds (distance) C4'-P energy: -129.353 bonds (distance) P-C4' energy: -155.888 flat angles C4'-P-C4' energy: -169.204 flat angles P-C4'-P energy: -121.779 tors. eta vs tors. theta energy: -128.512 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: 2 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1561.645869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.645869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.645869 (E_RNA) where: Base-Base interactions energy: -933.157 where: short stacking energy: -445.809 Base-Backbone interact. energy: -2.462 local terms energy: -626.026276 where: bonds (distance) C4'-P energy: -124.259 bonds (distance) P-C4' energy: -153.841 flat angles C4'-P-C4' energy: -146.924 flat angles P-C4'-P energy: -102.253 tors. eta vs tors. theta energy: -98.749 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: 6, replica: 1 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1537.671678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.671678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.671678 (E_RNA) where: Base-Base interactions energy: -935.614 where: short stacking energy: -456.914 Base-Backbone interact. energy: 2.515 local terms energy: -604.573584 where: bonds (distance) C4'-P energy: -135.419 bonds (distance) P-C4' energy: -143.885 flat angles C4'-P-C4' energy: -146.511 flat angles P-C4'-P energy: -78.743 tors. eta vs tors. theta energy: -100.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -1190.693112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.693112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.693112 (E_RNA) where: Base-Base interactions energy: -634.356 where: short stacking energy: -298.291 Base-Backbone interact. energy: -2.525 local terms energy: -553.812130 where: bonds (distance) C4'-P energy: -152.034 bonds (distance) P-C4' energy: -165.200 flat angles C4'-P-C4' energy: -132.316 flat angles P-C4'-P energy: -74.481 tors. eta vs tors. theta energy: -29.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -1107.348211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.348211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.348211 (E_RNA) where: Base-Base interactions energy: -614.083 where: short stacking energy: -308.471 Base-Backbone interact. energy: 2.091 local terms energy: -495.356569 where: bonds (distance) C4'-P energy: -121.191 bonds (distance) P-C4' energy: -148.121 flat angles C4'-P-C4' energy: -132.398 flat angles P-C4'-P energy: -62.937 tors. eta vs tors. theta energy: -30.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -673.125591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.125591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.125591 (E_RNA) where: Base-Base interactions energy: -270.701 where: short stacking energy: -193.551 Base-Backbone interact. energy: 2.250 local terms energy: -404.674393 where: bonds (distance) C4'-P energy: -132.426 bonds (distance) P-C4' energy: -141.332 flat angles C4'-P-C4' energy: -109.258 flat angles P-C4'-P energy: -70.742 tors. eta vs tors. theta energy: 49.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -685.820128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.820128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.820128 (E_RNA) where: Base-Base interactions energy: -278.099 where: short stacking energy: -177.856 Base-Backbone interact. energy: 11.380 local terms energy: -419.100607 where: bonds (distance) C4'-P energy: -105.987 bonds (distance) P-C4' energy: -145.880 flat angles C4'-P-C4' energy: -115.287 flat angles P-C4'-P energy: -64.153 tors. eta vs tors. theta energy: 12.207 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: 10 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -2270.650631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.650631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.650631 (E_RNA) where: Base-Base interactions energy: -1467.523 where: short stacking energy: -699.359 Base-Backbone interact. energy: -3.203 local terms energy: -799.923866 where: bonds (distance) C4'-P energy: -159.887 bonds (distance) P-C4' energy: -167.312 flat angles C4'-P-C4' energy: -178.953 flat angles P-C4'-P energy: -105.016 tors. eta vs tors. theta energy: -188.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -2220.760841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.760841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.760841 (E_RNA) where: Base-Base interactions energy: -1434.091 where: short stacking energy: -659.362 Base-Backbone interact. energy: -4.664 local terms energy: -782.005898 where: bonds (distance) C4'-P energy: -148.607 bonds (distance) P-C4' energy: -164.087 flat angles C4'-P-C4' energy: -184.422 flat angles P-C4'-P energy: -112.220 tors. eta vs tors. theta energy: -172.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -2061.228563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.228563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.228563 (E_RNA) where: Base-Base interactions energy: -1324.564 where: short stacking energy: -592.921 Base-Backbone interact. energy: -1.605 local terms energy: -735.059458 where: bonds (distance) C4'-P energy: -151.970 bonds (distance) P-C4' energy: -152.101 flat angles C4'-P-C4' energy: -176.791 flat angles P-C4'-P energy: -99.673 tors. eta vs tors. theta energy: -154.525 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: 3 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1793.782151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.782151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.782151 (E_RNA) where: Base-Base interactions energy: -1142.089 where: short stacking energy: -567.208 Base-Backbone interact. energy: 0.361 local terms energy: -652.054395 where: bonds (distance) C4'-P energy: -127.490 bonds (distance) P-C4' energy: -135.905 flat angles C4'-P-C4' energy: -159.569 flat angles P-C4'-P energy: -97.509 tors. eta vs tors. theta energy: -131.581 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: 5, replica: 2 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1565.881387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.881387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.881387 (E_RNA) where: Base-Base interactions energy: -919.218 where: short stacking energy: -445.161 Base-Backbone interact. energy: -0.352 local terms energy: -646.312062 where: bonds (distance) C4'-P energy: -153.070 bonds (distance) P-C4' energy: -145.075 flat angles C4'-P-C4' energy: -141.753 flat angles P-C4'-P energy: -98.219 tors. eta vs tors. theta energy: -108.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1580.597521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.597521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.597521 (E_RNA) where: Base-Base interactions energy: -995.380 where: short stacking energy: -464.751 Base-Backbone interact. energy: -2.244 local terms energy: -582.974117 where: bonds (distance) C4'-P energy: -138.137 bonds (distance) P-C4' energy: -133.465 flat angles C4'-P-C4' energy: -151.490 flat angles P-C4'-P energy: -66.549 tors. eta vs tors. theta energy: -93.333 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: 5 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -1235.825252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.825252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.825252 (E_RNA) where: Base-Base interactions energy: -655.503 where: short stacking energy: -353.656 Base-Backbone interact. energy: -3.278 local terms energy: -577.044183 where: bonds (distance) C4'-P energy: -130.380 bonds (distance) P-C4' energy: -158.017 flat angles C4'-P-C4' energy: -136.955 flat angles P-C4'-P energy: -105.054 tors. eta vs tors. theta energy: -46.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -1161.499722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.499722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.499722 (E_RNA) where: Base-Base interactions energy: -635.889 where: short stacking energy: -290.835 Base-Backbone interact. energy: -4.432 local terms energy: -521.179361 where: bonds (distance) C4'-P energy: -154.735 bonds (distance) P-C4' energy: -133.114 flat angles C4'-P-C4' energy: -141.429 flat angles P-C4'-P energy: -79.967 tors. eta vs tors. theta energy: -11.933 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: 9, replica: 9 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -701.055313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.055313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.055313 (E_RNA) where: Base-Base interactions energy: -278.842 where: short stacking energy: -207.195 Base-Backbone interact. energy: 0.159 local terms energy: -422.371535 where: bonds (distance) C4'-P energy: -116.488 bonds (distance) P-C4' energy: -129.899 flat angles C4'-P-C4' energy: -133.861 flat angles P-C4'-P energy: -47.004 tors. eta vs tors. theta energy: 4.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -697.639733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.639733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.639733 (E_RNA) where: Base-Base interactions energy: -287.248 where: short stacking energy: -182.936 Base-Backbone interact. energy: 1.700 local terms energy: -412.091324 where: bonds (distance) C4'-P energy: -128.545 bonds (distance) P-C4' energy: -122.421 flat angles C4'-P-C4' energy: -130.438 flat angles P-C4'-P energy: -47.264 tors. eta vs tors. theta energy: 16.576 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: 10 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -2258.684679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.684679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.684679 (E_RNA) where: Base-Base interactions energy: -1461.267 where: short stacking energy: -692.991 Base-Backbone interact. energy: 0.756 local terms energy: -798.173056 where: bonds (distance) C4'-P energy: -153.810 bonds (distance) P-C4' energy: -163.871 flat angles C4'-P-C4' energy: -183.779 flat angles P-C4'-P energy: -106.374 tors. eta vs tors. theta energy: -190.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -2246.889938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.889938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.889938 (E_RNA) where: Base-Base interactions energy: -1485.896 where: short stacking energy: -650.381 Base-Backbone interact. energy: 0.829 local terms energy: -761.822967 where: bonds (distance) C4'-P energy: -144.854 bonds (distance) P-C4' energy: -157.585 flat angles C4'-P-C4' energy: -156.161 flat angles P-C4'-P energy: -124.862 tors. eta vs tors. theta energy: -178.361 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: 8 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -2054.947682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.947682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.947682 (E_RNA) where: Base-Base interactions energy: -1311.415 where: short stacking energy: -620.547 Base-Backbone interact. energy: -5.156 local terms energy: -738.376466 where: bonds (distance) C4'-P energy: -152.138 bonds (distance) P-C4' energy: -156.966 flat angles C4'-P-C4' energy: -159.980 flat angles P-C4'-P energy: -109.587 tors. eta vs tors. theta energy: -159.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1762.029807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.029807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.029807 (E_RNA) where: Base-Base interactions energy: -1110.909 where: short stacking energy: -524.969 Base-Backbone interact. energy: -0.166 local terms energy: -650.953945 where: bonds (distance) C4'-P energy: -139.387 bonds (distance) P-C4' energy: -144.328 flat angles C4'-P-C4' energy: -145.756 flat angles P-C4'-P energy: -86.132 tors. eta vs tors. theta energy: -135.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1620.950898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.950898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.950898 (E_RNA) where: Base-Base interactions energy: -994.015 where: short stacking energy: -462.080 Base-Backbone interact. energy: 1.103 local terms energy: -628.038849 where: bonds (distance) C4'-P energy: -143.875 bonds (distance) P-C4' energy: -154.464 flat angles C4'-P-C4' energy: -144.055 flat angles P-C4'-P energy: -93.676 tors. eta vs tors. theta energy: -91.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1615.041350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.041350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.041350 (E_RNA) where: Base-Base interactions energy: -1006.057 where: short stacking energy: -492.456 Base-Backbone interact. energy: -0.768 local terms energy: -608.216771 where: bonds (distance) C4'-P energy: -134.060 bonds (distance) P-C4' energy: -131.263 flat angles C4'-P-C4' energy: -150.750 flat angles P-C4'-P energy: -82.113 tors. eta vs tors. theta energy: -110.031 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: 30 Temperature: 1.200000 Total energy: -1196.535882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.535882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.535882 (E_RNA) where: Base-Base interactions energy: -639.056 where: short stacking energy: -336.983 Base-Backbone interact. energy: -1.906 local terms energy: -555.573932 where: bonds (distance) C4'-P energy: -138.851 bonds (distance) P-C4' energy: -124.561 flat angles C4'-P-C4' energy: -143.514 flat angles P-C4'-P energy: -82.030 tors. eta vs tors. theta energy: -66.617 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: 8, replica: 5 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -1148.189245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.189245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.189245 (E_RNA) where: Base-Base interactions energy: -649.419 where: short stacking energy: -341.056 Base-Backbone interact. energy: 6.080 local terms energy: -504.850495 where: bonds (distance) C4'-P energy: -126.757 bonds (distance) P-C4' energy: -146.692 flat angles C4'-P-C4' energy: -101.216 flat angles P-C4'-P energy: -86.429 tors. eta vs tors. theta energy: -43.757 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: 9 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -739.462416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.462416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.462416 (E_RNA) where: Base-Base interactions energy: -295.856 where: short stacking energy: -220.466 Base-Backbone interact. energy: 1.512 local terms energy: -445.118066 where: bonds (distance) C4'-P energy: -117.311 bonds (distance) P-C4' energy: -133.178 flat angles C4'-P-C4' energy: -124.141 flat angles P-C4'-P energy: -68.497 tors. eta vs tors. theta energy: -1.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -713.355791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.355791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.355791 (E_RNA) where: Base-Base interactions energy: -275.303 where: short stacking energy: -195.312 Base-Backbone interact. energy: 4.985 local terms energy: -443.037231 where: bonds (distance) C4'-P energy: -126.156 bonds (distance) P-C4' energy: -150.943 flat angles C4'-P-C4' energy: -116.340 flat angles P-C4'-P energy: -83.125 tors. eta vs tors. theta energy: 33.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -2275.650092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.650092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.650092 (E_RNA) where: Base-Base interactions energy: -1478.066 where: short stacking energy: -711.952 Base-Backbone interact. energy: 0.325 local terms energy: -797.908196 where: bonds (distance) C4'-P energy: -161.249 bonds (distance) P-C4' energy: -165.348 flat angles C4'-P-C4' energy: -173.348 flat angles P-C4'-P energy: -107.838 tors. eta vs tors. theta energy: -190.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -2242.640904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.640904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.640904 (E_RNA) where: Base-Base interactions energy: -1480.526 where: short stacking energy: -666.064 Base-Backbone interact. energy: -6.731 local terms energy: -755.383611 where: bonds (distance) C4'-P energy: -144.481 bonds (distance) P-C4' energy: -156.809 flat angles C4'-P-C4' energy: -159.710 flat angles P-C4'-P energy: -114.450 tors. eta vs tors. theta energy: -179.934 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: 8 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -2045.775032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.775032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.775032 (E_RNA) where: Base-Base interactions energy: -1302.986 where: short stacking energy: -605.796 Base-Backbone interact. energy: -4.149 local terms energy: -738.639603 where: bonds (distance) C4'-P energy: -137.928 bonds (distance) P-C4' energy: -173.035 flat angles C4'-P-C4' energy: -161.724 flat angles P-C4'-P energy: -106.897 tors. eta vs tors. theta energy: -159.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1816.487165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.487165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.487165 (E_RNA) where: Base-Base interactions energy: -1130.448 where: short stacking energy: -540.808 Base-Backbone interact. energy: 0.244 local terms energy: -686.283661 where: bonds (distance) C4'-P energy: -155.506 bonds (distance) P-C4' energy: -150.184 flat angles C4'-P-C4' energy: -145.949 flat angles P-C4'-P energy: -106.217 tors. eta vs tors. theta energy: -128.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1648.347325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.347325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.347325 (E_RNA) where: Base-Base interactions energy: -1019.517 where: short stacking energy: -495.117 Base-Backbone interact. energy: -1.574 local terms energy: -627.256643 where: bonds (distance) C4'-P energy: -149.228 bonds (distance) P-C4' energy: -149.147 flat angles C4'-P-C4' energy: -153.154 flat angles P-C4'-P energy: -69.602 tors. eta vs tors. theta energy: -106.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1624.742781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.742781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.742781 (E_RNA) where: Base-Base interactions energy: -1022.526 where: short stacking energy: -479.088 Base-Backbone interact. energy: 1.005 local terms energy: -603.222388 where: bonds (distance) C4'-P energy: -130.435 bonds (distance) P-C4' energy: -127.433 flat angles C4'-P-C4' energy: -132.812 flat angles P-C4'-P energy: -92.094 tors. eta vs tors. theta energy: -120.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1267.955406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.955406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.955406 (E_RNA) where: Base-Base interactions energy: -687.188 where: short stacking energy: -378.880 Base-Backbone interact. energy: -0.585 local terms energy: -580.181801 where: bonds (distance) C4'-P energy: -132.744 bonds (distance) P-C4' energy: -128.118 flat angles C4'-P-C4' energy: -159.797 flat angles P-C4'-P energy: -93.403 tors. eta vs tors. theta energy: -66.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -1115.334486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.334486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.334486 (E_RNA) where: Base-Base interactions energy: -601.121 where: short stacking energy: -336.618 Base-Backbone interact. energy: 0.855 local terms energy: -515.068345 where: bonds (distance) C4'-P energy: -122.836 bonds (distance) P-C4' energy: -135.305 flat angles C4'-P-C4' energy: -130.211 flat angles P-C4'-P energy: -80.301 tors. eta vs tors. theta energy: -46.415 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: 9, replica: 9 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -805.950810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.950810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.950810 (E_RNA) where: Base-Base interactions energy: -353.537 where: short stacking energy: -248.750 Base-Backbone interact. energy: 2.718 local terms energy: -455.131811 where: bonds (distance) C4'-P energy: -128.434 bonds (distance) P-C4' energy: -130.668 flat angles C4'-P-C4' energy: -117.026 flat angles P-C4'-P energy: -65.887 tors. eta vs tors. theta energy: -13.115 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: 10, replica: 7 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -626.767874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.767874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.767874 (E_RNA) where: Base-Base interactions energy: -212.808 where: short stacking energy: -165.162 Base-Backbone interact. energy: -0.665 local terms energy: -413.294936 where: bonds (distance) C4'-P energy: -128.980 bonds (distance) P-C4' energy: -133.092 flat angles C4'-P-C4' energy: -103.723 flat angles P-C4'-P energy: -71.831 tors. eta vs tors. theta energy: 24.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -2242.862009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.862009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.862009 (E_RNA) where: Base-Base interactions energy: -1451.392 where: short stacking energy: -681.219 Base-Backbone interact. energy: -2.021 local terms energy: -789.448510 where: bonds (distance) C4'-P energy: -161.664 bonds (distance) P-C4' energy: -155.640 flat angles C4'-P-C4' energy: -172.649 flat angles P-C4'-P energy: -112.356 tors. eta vs tors. theta energy: -187.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -2293.093640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.093640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.093640 (E_RNA) where: Base-Base interactions energy: -1493.744 where: short stacking energy: -689.509 Base-Backbone interact. energy: -4.864 local terms energy: -794.485805 where: bonds (distance) C4'-P energy: -156.411 bonds (distance) P-C4' energy: -165.775 flat angles C4'-P-C4' energy: -182.274 flat angles P-C4'-P energy: -116.917 tors. eta vs tors. theta energy: -173.108 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: 32 Temperature: 1.000000 Total energy: -2034.317198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.317198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.317198 (E_RNA) where: Base-Base interactions energy: -1329.227 where: short stacking energy: -603.690 Base-Backbone interact. energy: -2.804 local terms energy: -702.286355 where: bonds (distance) C4'-P energy: -172.038 bonds (distance) P-C4' energy: -148.545 flat angles C4'-P-C4' energy: -154.147 flat angles P-C4'-P energy: -86.431 tors. eta vs tors. theta energy: -141.125 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: 4, replica: 3 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1764.731526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.731526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.731526 (E_RNA) where: Base-Base interactions energy: -1114.064 where: short stacking energy: -542.461 Base-Backbone interact. energy: -3.305 local terms energy: -647.361570 where: bonds (distance) C4'-P energy: -142.283 bonds (distance) P-C4' energy: -130.061 flat angles C4'-P-C4' energy: -142.715 flat angles P-C4'-P energy: -98.683 tors. eta vs tors. theta energy: -133.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1650.013593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.013593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.013593 (E_RNA) where: Base-Base interactions energy: -995.359 where: short stacking energy: -512.273 Base-Backbone interact. energy: 6.756 local terms energy: -661.410754 where: bonds (distance) C4'-P energy: -162.178 bonds (distance) P-C4' energy: -151.916 flat angles C4'-P-C4' energy: -143.656 flat angles P-C4'-P energy: -92.740 tors. eta vs tors. theta energy: -110.921 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: 1 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1576.968829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.968829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.968829 (E_RNA) where: Base-Base interactions energy: -972.499 where: short stacking energy: -477.014 Base-Backbone interact. energy: -0.227 local terms energy: -604.242999 where: bonds (distance) C4'-P energy: -124.698 bonds (distance) P-C4' energy: -157.419 flat angles C4'-P-C4' energy: -158.995 flat angles P-C4'-P energy: -68.559 tors. eta vs tors. theta energy: -94.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -1221.674342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.674342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.674342 (E_RNA) where: Base-Base interactions energy: -675.201 where: short stacking energy: -326.617 Base-Backbone interact. energy: -2.999 local terms energy: -543.474460 where: bonds (distance) C4'-P energy: -121.631 bonds (distance) P-C4' energy: -165.643 flat angles C4'-P-C4' energy: -150.626 flat angles P-C4'-P energy: -68.015 tors. eta vs tors. theta energy: -37.559 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: 8, replica: 5 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -1152.324630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.324630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.324630 (E_RNA) where: Base-Base interactions energy: -632.231 where: short stacking energy: -348.562 Base-Backbone interact. energy: -1.776 local terms energy: -518.317222 where: bonds (distance) C4'-P energy: -128.597 bonds (distance) P-C4' energy: -139.410 flat angles C4'-P-C4' energy: -131.210 flat angles P-C4'-P energy: -68.718 tors. eta vs tors. theta energy: -50.382 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: 9 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -762.721728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.721728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.721728 (E_RNA) where: Base-Base interactions energy: -336.251 where: short stacking energy: -202.495 Base-Backbone interact. energy: 3.310 local terms energy: -429.780922 where: bonds (distance) C4'-P energy: -139.276 bonds (distance) P-C4' energy: -147.392 flat angles C4'-P-C4' energy: -108.823 flat angles P-C4'-P energy: -55.337 tors. eta vs tors. theta energy: 21.046 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: 7 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -623.613742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.613742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.613742 (E_RNA) where: Base-Base interactions energy: -244.581 where: short stacking energy: -210.848 Base-Backbone interact. energy: 1.638 local terms energy: -380.671122 where: bonds (distance) C4'-P energy: -116.187 bonds (distance) P-C4' energy: -114.946 flat angles C4'-P-C4' energy: -119.173 flat angles P-C4'-P energy: -52.090 tors. eta vs tors. theta energy: 21.726 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: 10 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -2292.627639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.627639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.627639 (E_RNA) where: Base-Base interactions energy: -1515.482 where: short stacking energy: -704.201 Base-Backbone interact. energy: 0.481 local terms energy: -777.626571 where: bonds (distance) C4'-P energy: -140.026 bonds (distance) P-C4' energy: -157.297 flat angles C4'-P-C4' energy: -176.353 flat angles P-C4'-P energy: -115.260 tors. eta vs tors. theta energy: -188.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -2251.516934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.516934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.516934 (E_RNA) where: Base-Base interactions energy: -1510.976 where: short stacking energy: -656.513 Base-Backbone interact. energy: 3.315 local terms energy: -743.855551 where: bonds (distance) C4'-P energy: -159.458 bonds (distance) P-C4' energy: -155.211 flat angles C4'-P-C4' energy: -150.487 flat angles P-C4'-P energy: -107.898 tors. eta vs tors. theta energy: -170.801 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: 8 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -2121.538542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.538542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.538542 (E_RNA) where: Base-Base interactions energy: -1373.428 where: short stacking energy: -603.571 Base-Backbone interact. energy: -1.784 local terms energy: -746.325708 where: bonds (distance) C4'-P energy: -152.294 bonds (distance) P-C4' energy: -140.934 flat angles C4'-P-C4' energy: -161.677 flat angles P-C4'-P energy: -125.273 tors. eta vs tors. theta energy: -166.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1855.835142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.835142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.835142 (E_RNA) where: Base-Base interactions energy: -1159.739 where: short stacking energy: -571.723 Base-Backbone interact. energy: -3.080 local terms energy: -693.016107 where: bonds (distance) C4'-P energy: -157.640 bonds (distance) P-C4' energy: -143.543 flat angles C4'-P-C4' energy: -147.929 flat angles P-C4'-P energy: -113.992 tors. eta vs tors. theta energy: -129.912 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: 5, replica: 2 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1681.513693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.513693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.513693 (E_RNA) where: Base-Base interactions energy: -1029.249 where: short stacking energy: -500.552 Base-Backbone interact. energy: 3.064 local terms energy: -655.328707 where: bonds (distance) C4'-P energy: -141.846 bonds (distance) P-C4' energy: -130.940 flat angles C4'-P-C4' energy: -149.535 flat angles P-C4'-P energy: -103.057 tors. eta vs tors. theta energy: -129.950 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: 6, replica: 1 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1557.323744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.323744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.323744 (E_RNA) where: Base-Base interactions energy: -924.050 where: short stacking energy: -443.105 Base-Backbone interact. energy: 6.819 local terms energy: -640.093265 where: bonds (distance) C4'-P energy: -146.648 bonds (distance) P-C4' energy: -158.736 flat angles C4'-P-C4' energy: -127.501 flat angles P-C4'-P energy: -106.145 tors. eta vs tors. theta energy: -101.064 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: 6 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1227.299339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.299339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.299339 (E_RNA) where: Base-Base interactions energy: -701.306 where: short stacking energy: -360.864 Base-Backbone interact. energy: 3.976 local terms energy: -529.969885 where: bonds (distance) C4'-P energy: -142.764 bonds (distance) P-C4' energy: -153.084 flat angles C4'-P-C4' energy: -114.608 flat angles P-C4'-P energy: -67.731 tors. eta vs tors. theta energy: -51.782 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: 5 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -1150.498419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.498419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.498419 (E_RNA) where: Base-Base interactions energy: -648.506 where: short stacking energy: -374.823 Base-Backbone interact. energy: -3.296 local terms energy: -498.696214 where: bonds (distance) C4'-P energy: -123.139 bonds (distance) P-C4' energy: -127.444 flat angles C4'-P-C4' energy: -130.089 flat angles P-C4'-P energy: -56.813 tors. eta vs tors. theta energy: -61.212 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: 9, replica: 9 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -758.605154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.605154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.605154 (E_RNA) where: Base-Base interactions energy: -338.616 where: short stacking energy: -223.359 Base-Backbone interact. energy: 3.504 local terms energy: -423.492758 where: bonds (distance) C4'-P energy: -136.972 bonds (distance) P-C4' energy: -124.284 flat angles C4'-P-C4' energy: -105.266 flat angles P-C4'-P energy: -66.424 tors. eta vs tors. theta energy: 9.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -599.155178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.155178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.155178 (E_RNA) where: Base-Base interactions energy: -199.701 where: short stacking energy: -185.245 Base-Backbone interact. energy: -0.339 local terms energy: -399.114532 where: bonds (distance) C4'-P energy: -114.985 bonds (distance) P-C4' energy: -133.110 flat angles C4'-P-C4' energy: -108.889 flat angles P-C4'-P energy: -67.397 tors. eta vs tors. theta energy: 25.266 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: 10 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -2284.460028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.460028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.460028 (E_RNA) where: Base-Base interactions energy: -1504.952 where: short stacking energy: -690.270 Base-Backbone interact. energy: -2.806 local terms energy: -776.702146 where: bonds (distance) C4'-P energy: -163.320 bonds (distance) P-C4' energy: -168.168 flat angles C4'-P-C4' energy: -166.193 flat angles P-C4'-P energy: -100.357 tors. eta vs tors. theta energy: -178.665 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: 4 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -2286.913043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.913043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.913043 (E_RNA) where: Base-Base interactions energy: -1526.510 where: short stacking energy: -657.655 Base-Backbone interact. energy: -3.131 local terms energy: -757.272600 where: bonds (distance) C4'-P energy: -154.142 bonds (distance) P-C4' energy: -163.701 flat angles C4'-P-C4' energy: -174.374 flat angles P-C4'-P energy: -104.963 tors. eta vs tors. theta energy: -160.093 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: 3, replica: 8 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -2024.290450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.290450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.290450 (E_RNA) where: Base-Base interactions energy: -1328.588 where: short stacking energy: -590.306 Base-Backbone interact. energy: 0.150 local terms energy: -695.852709 where: bonds (distance) C4'-P energy: -163.616 bonds (distance) P-C4' energy: -154.655 flat angles C4'-P-C4' energy: -158.163 flat angles P-C4'-P energy: -97.382 tors. eta vs tors. theta energy: -122.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1794.885348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.885348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.885348 (E_RNA) where: Base-Base interactions energy: -1132.509 where: short stacking energy: -540.582 Base-Backbone interact. energy: -2.068 local terms energy: -660.309165 where: bonds (distance) C4'-P energy: -142.401 bonds (distance) P-C4' energy: -145.071 flat angles C4'-P-C4' energy: -138.657 flat angles P-C4'-P energy: -105.980 tors. eta vs tors. theta energy: -128.199 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: 5, replica: 2 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1684.425179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.425179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.425179 (E_RNA) where: Base-Base interactions energy: -1042.553 where: short stacking energy: -459.810 Base-Backbone interact. energy: -1.115 local terms energy: -640.756702 where: bonds (distance) C4'-P energy: -153.542 bonds (distance) P-C4' energy: -158.085 flat angles C4'-P-C4' energy: -167.577 flat angles P-C4'-P energy: -82.489 tors. eta vs tors. theta energy: -79.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1447.791096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.791096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.791096 (E_RNA) where: Base-Base interactions energy: -839.757 where: short stacking energy: -451.775 Base-Backbone interact. energy: -1.511 local terms energy: -606.522766 where: bonds (distance) C4'-P energy: -124.997 bonds (distance) P-C4' energy: -147.760 flat angles C4'-P-C4' energy: -159.382 flat angles P-C4'-P energy: -85.862 tors. eta vs tors. theta energy: -88.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1226.145253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.145253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.145253 (E_RNA) where: Base-Base interactions energy: -682.585 where: short stacking energy: -362.771 Base-Backbone interact. energy: 2.458 local terms energy: -546.017958 where: bonds (distance) C4'-P energy: -125.103 bonds (distance) P-C4' energy: -141.508 flat angles C4'-P-C4' energy: -138.164 flat angles P-C4'-P energy: -78.811 tors. eta vs tors. theta energy: -62.432 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: 8, replica: 5 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -1124.984069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.984069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.984069 (E_RNA) where: Base-Base interactions energy: -617.642 where: short stacking energy: -342.959 Base-Backbone interact. energy: 0.674 local terms energy: -508.015823 where: bonds (distance) C4'-P energy: -119.075 bonds (distance) P-C4' energy: -155.776 flat angles C4'-P-C4' energy: -120.977 flat angles P-C4'-P energy: -70.495 tors. eta vs tors. theta energy: -41.692 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: 7 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -694.723740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.723740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.723740 (E_RNA) where: Base-Base interactions energy: -262.341 where: short stacking energy: -171.572 Base-Backbone interact. energy: 1.733 local terms energy: -434.115182 where: bonds (distance) C4'-P energy: -102.481 bonds (distance) P-C4' energy: -136.817 flat angles C4'-P-C4' energy: -131.836 flat angles P-C4'-P energy: -87.271 tors. eta vs tors. theta energy: 24.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -663.741492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.741492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.741492 (E_RNA) where: Base-Base interactions energy: -244.213 where: short stacking energy: -170.880 Base-Backbone interact. energy: 3.642 local terms energy: -423.170854 where: bonds (distance) C4'-P energy: -139.751 bonds (distance) P-C4' energy: -131.519 flat angles C4'-P-C4' energy: -108.466 flat angles P-C4'-P energy: -70.849 tors. eta vs tors. theta energy: 27.414 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: 10 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -2293.365452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.365452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.365452 (E_RNA) where: Base-Base interactions energy: -1499.415 where: short stacking energy: -707.707 Base-Backbone interact. energy: -4.418 local terms energy: -789.532496 where: bonds (distance) C4'-P energy: -147.974 bonds (distance) P-C4' energy: -168.384 flat angles C4'-P-C4' energy: -184.705 flat angles P-C4'-P energy: -112.634 tors. eta vs tors. theta energy: -175.837 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: 2, replica: 4 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -2288.501725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.501725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.501725 (E_RNA) where: Base-Base interactions energy: -1556.952 where: short stacking energy: -656.748 Base-Backbone interact. energy: 7.547 local terms energy: -739.097044 where: bonds (distance) C4'-P energy: -157.985 bonds (distance) P-C4' energy: -154.175 flat angles C4'-P-C4' energy: -170.845 flat angles P-C4'-P energy: -92.325 tors. eta vs tors. theta energy: -163.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -2067.625596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.625596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.625596 (E_RNA) where: Base-Base interactions energy: -1335.314 where: short stacking energy: -612.395 Base-Backbone interact. energy: -3.639 local terms energy: -728.672967 where: bonds (distance) C4'-P energy: -147.984 bonds (distance) P-C4' energy: -146.549 flat angles C4'-P-C4' energy: -168.865 flat angles P-C4'-P energy: -109.774 tors. eta vs tors. theta energy: -155.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1884.045496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.045496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.045496 (E_RNA) where: Base-Base interactions energy: -1190.686 where: short stacking energy: -555.332 Base-Backbone interact. energy: -2.803 local terms energy: -690.556827 where: bonds (distance) C4'-P energy: -146.032 bonds (distance) P-C4' energy: -151.761 flat angles C4'-P-C4' energy: -160.525 flat angles P-C4'-P energy: -86.183 tors. eta vs tors. theta energy: -146.055 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: 2 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1693.568166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.568166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.568166 (E_RNA) where: Base-Base interactions energy: -1048.565 where: short stacking energy: -517.553 Base-Backbone interact. energy: 1.179 local terms energy: -646.181548 where: bonds (distance) C4'-P energy: -140.432 bonds (distance) P-C4' energy: -149.496 flat angles C4'-P-C4' energy: -154.724 flat angles P-C4'-P energy: -94.166 tors. eta vs tors. theta energy: -107.363 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: 6, replica: 1 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1519.534416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.534416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.534416 (E_RNA) where: Base-Base interactions energy: -927.855 where: short stacking energy: -443.148 Base-Backbone interact. energy: 0.897 local terms energy: -592.575852 where: bonds (distance) C4'-P energy: -139.123 bonds (distance) P-C4' energy: -153.678 flat angles C4'-P-C4' energy: -138.719 flat angles P-C4'-P energy: -70.441 tors. eta vs tors. theta energy: -90.614 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: 6 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1254.948158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.948158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.948158 (E_RNA) where: Base-Base interactions energy: -676.152 where: short stacking energy: -369.530 Base-Backbone interact. energy: -0.461 local terms energy: -578.334432 where: bonds (distance) C4'-P energy: -141.308 bonds (distance) P-C4' energy: -141.667 flat angles C4'-P-C4' energy: -148.877 flat angles P-C4'-P energy: -91.394 tors. eta vs tors. theta energy: -55.088 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: 8, replica: 5 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -1012.939000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.939000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.939000 (E_RNA) where: Base-Base interactions energy: -539.416 where: short stacking energy: -266.872 Base-Backbone interact. energy: 4.551 local terms energy: -478.073977 where: bonds (distance) C4'-P energy: -133.389 bonds (distance) P-C4' energy: -115.893 flat angles C4'-P-C4' energy: -116.436 flat angles P-C4'-P energy: -91.850 tors. eta vs tors. theta energy: -20.506 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: 7 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -802.233472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.233472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.233472 (E_RNA) where: Base-Base interactions energy: -341.371 where: short stacking energy: -235.442 Base-Backbone interact. energy: -2.685 local terms energy: -458.177068 where: bonds (distance) C4'-P energy: -129.905 bonds (distance) P-C4' energy: -158.831 flat angles C4'-P-C4' energy: -110.932 flat angles P-C4'-P energy: -70.377 tors. eta vs tors. theta energy: 11.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -633.956193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.956193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.956193 (E_RNA) where: Base-Base interactions energy: -241.273 where: short stacking energy: -138.363 Base-Backbone interact. energy: 0.951 local terms energy: -393.634690 where: bonds (distance) C4'-P energy: -126.782 bonds (distance) P-C4' energy: -147.262 flat angles C4'-P-C4' energy: -101.424 flat angles P-C4'-P energy: -41.681 tors. eta vs tors. theta energy: 23.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -2330.328521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.328521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.328521 (E_RNA) where: Base-Base interactions energy: -1540.920 where: short stacking energy: -664.774 Base-Backbone interact. energy: -5.533 local terms energy: -783.874886 where: bonds (distance) C4'-P energy: -152.580 bonds (distance) P-C4' energy: -154.860 flat angles C4'-P-C4' energy: -184.345 flat angles P-C4'-P energy: -107.572 tors. eta vs tors. theta energy: -184.517 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: 2, replica: 10 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -2218.968479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.968479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.968479 (E_RNA) where: Base-Base interactions energy: -1451.101 where: short stacking energy: -636.532 Base-Backbone interact. energy: -6.395 local terms energy: -761.473191 where: bonds (distance) C4'-P energy: -156.489 bonds (distance) P-C4' energy: -170.759 flat angles C4'-P-C4' energy: -149.144 flat angles P-C4'-P energy: -111.766 tors. eta vs tors. theta energy: -173.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -2047.264762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.264762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.264762 (E_RNA) where: Base-Base interactions energy: -1322.262 where: short stacking energy: -611.378 Base-Backbone interact. energy: 1.071 local terms energy: -726.074222 where: bonds (distance) C4'-P energy: -153.978 bonds (distance) P-C4' energy: -165.702 flat angles C4'-P-C4' energy: -161.077 flat angles P-C4'-P energy: -98.064 tors. eta vs tors. theta energy: -147.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1885.625179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.625179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.625179 (E_RNA) where: Base-Base interactions energy: -1171.879 where: short stacking energy: -557.433 Base-Backbone interact. energy: 0.043 local terms energy: -713.788980 where: bonds (distance) C4'-P energy: -139.633 bonds (distance) P-C4' energy: -139.404 flat angles C4'-P-C4' energy: -175.087 flat angles P-C4'-P energy: -103.858 tors. eta vs tors. theta energy: -155.807 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: 2 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1725.254719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.254719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.254719 (E_RNA) where: Base-Base interactions energy: -1054.847 where: short stacking energy: -514.055 Base-Backbone interact. energy: -0.880 local terms energy: -669.527534 where: bonds (distance) C4'-P energy: -160.529 bonds (distance) P-C4' energy: -154.486 flat angles C4'-P-C4' energy: -131.955 flat angles P-C4'-P energy: -95.588 tors. eta vs tors. theta energy: -126.969 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: 1 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1587.205110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.205110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.205110 (E_RNA) where: Base-Base interactions energy: -976.508 where: short stacking energy: -461.837 Base-Backbone interact. energy: -1.806 local terms energy: -608.890883 where: bonds (distance) C4'-P energy: -141.352 bonds (distance) P-C4' energy: -151.002 flat angles C4'-P-C4' energy: -136.289 flat angles P-C4'-P energy: -76.682 tors. eta vs tors. theta energy: -103.566 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: 6 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1194.591320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.591320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.591320 (E_RNA) where: Base-Base interactions energy: -661.367 where: short stacking energy: -366.709 Base-Backbone interact. energy: 1.405 local terms energy: -534.628958 where: bonds (distance) C4'-P energy: -154.382 bonds (distance) P-C4' energy: -142.800 flat angles C4'-P-C4' energy: -119.087 flat angles P-C4'-P energy: -71.968 tors. eta vs tors. theta energy: -46.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -983.089207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.089207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.089207 (E_RNA) where: Base-Base interactions energy: -514.424 where: short stacking energy: -300.788 Base-Backbone interact. energy: 1.978 local terms energy: -470.642507 where: bonds (distance) C4'-P energy: -144.386 bonds (distance) P-C4' energy: -136.041 flat angles C4'-P-C4' energy: -108.044 flat angles P-C4'-P energy: -56.323 tors. eta vs tors. theta energy: -25.848 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: 9 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -719.171348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.171348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.171348 (E_RNA) where: Base-Base interactions energy: -305.189 where: short stacking energy: -178.823 Base-Backbone interact. energy: 1.657 local terms energy: -415.640202 where: bonds (distance) C4'-P energy: -143.121 bonds (distance) P-C4' energy: -131.664 flat angles C4'-P-C4' energy: -126.926 flat angles P-C4'-P energy: -50.415 tors. eta vs tors. theta energy: 36.486 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: 7 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -689.620616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.620616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.620616 (E_RNA) where: Base-Base interactions energy: -255.251 where: short stacking energy: -192.104 Base-Backbone interact. energy: -1.567 local terms energy: -432.803184 where: bonds (distance) C4'-P energy: -116.351 bonds (distance) P-C4' energy: -149.954 flat angles C4'-P-C4' energy: -118.189 flat angles P-C4'-P energy: -50.550 tors. eta vs tors. theta energy: 2.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -2326.946785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.946785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.946785 (E_RNA) where: Base-Base interactions energy: -1532.629 where: short stacking energy: -670.226 Base-Backbone interact. energy: -5.515 local terms energy: -788.802914 where: bonds (distance) C4'-P energy: -160.664 bonds (distance) P-C4' energy: -153.869 flat angles C4'-P-C4' energy: -185.280 flat angles P-C4'-P energy: -111.315 tors. eta vs tors. theta energy: -177.674 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: 2, replica: 10 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -2188.764872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.764872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.764872 (E_RNA) where: Base-Base interactions energy: -1428.332 where: short stacking energy: -616.392 Base-Backbone interact. energy: -7.773 local terms energy: -752.659812 where: bonds (distance) C4'-P energy: -158.151 bonds (distance) P-C4' energy: -162.628 flat angles C4'-P-C4' energy: -168.427 flat angles P-C4'-P energy: -96.486 tors. eta vs tors. theta energy: -166.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -2040.427823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.427823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.427823 (E_RNA) where: Base-Base interactions energy: -1312.831 where: short stacking energy: -588.120 Base-Backbone interact. energy: -3.797 local terms energy: -723.799948 where: bonds (distance) C4'-P energy: -144.305 bonds (distance) P-C4' energy: -156.715 flat angles C4'-P-C4' energy: -170.026 flat angles P-C4'-P energy: -104.554 tors. eta vs tors. theta energy: -148.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1889.304381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.304381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.304381 (E_RNA) where: Base-Base interactions energy: -1178.574 where: short stacking energy: -531.407 Base-Backbone interact. energy: -3.905 local terms energy: -706.825024 where: bonds (distance) C4'-P energy: -139.247 bonds (distance) P-C4' energy: -152.175 flat angles C4'-P-C4' energy: -174.555 flat angles P-C4'-P energy: -98.163 tors. eta vs tors. theta energy: -142.685 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: 2 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1724.632173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.632173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.632173 (E_RNA) where: Base-Base interactions energy: -1079.764 where: short stacking energy: -525.175 Base-Backbone interact. energy: -1.458 local terms energy: -643.410922 where: bonds (distance) C4'-P energy: -153.248 bonds (distance) P-C4' energy: -134.328 flat angles C4'-P-C4' energy: -142.360 flat angles P-C4'-P energy: -102.517 tors. eta vs tors. theta energy: -110.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1611.133165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.133165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.133165 (E_RNA) where: Base-Base interactions energy: -993.050 where: short stacking energy: -467.644 Base-Backbone interact. energy: -0.345 local terms energy: -617.737865 where: bonds (distance) C4'-P energy: -138.252 bonds (distance) P-C4' energy: -152.851 flat angles C4'-P-C4' energy: -138.664 flat angles P-C4'-P energy: -75.892 tors. eta vs tors. theta energy: -112.079 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: 6 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1240.376043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.376043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.376043 (E_RNA) where: Base-Base interactions energy: -693.511 where: short stacking energy: -336.923 Base-Backbone interact. energy: -0.108 local terms energy: -546.757425 where: bonds (distance) C4'-P energy: -143.866 bonds (distance) P-C4' energy: -141.873 flat angles C4'-P-C4' energy: -119.077 flat angles P-C4'-P energy: -99.111 tors. eta vs tors. theta energy: -42.831 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: 5 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -932.202521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.202521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.202521 (E_RNA) where: Base-Base interactions energy: -432.489 where: short stacking energy: -239.936 Base-Backbone interact. energy: 5.588 local terms energy: -505.302003 where: bonds (distance) C4'-P energy: -150.869 bonds (distance) P-C4' energy: -137.678 flat angles C4'-P-C4' energy: -133.590 flat angles P-C4'-P energy: -79.388 tors. eta vs tors. theta energy: -3.777 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: 9 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -771.577569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.577569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.577569 (E_RNA) where: Base-Base interactions energy: -337.871 where: short stacking energy: -223.896 Base-Backbone interact. energy: 2.874 local terms energy: -436.580436 where: bonds (distance) C4'-P energy: -133.198 bonds (distance) P-C4' energy: -133.754 flat angles C4'-P-C4' energy: -119.921 flat angles P-C4'-P energy: -56.737 tors. eta vs tors. theta energy: 7.029 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: 10, replica: 7 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -688.676771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.676771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.676771 (E_RNA) where: Base-Base interactions energy: -290.161 where: short stacking energy: -202.599 Base-Backbone interact. energy: 2.883 local terms energy: -401.399179 where: bonds (distance) C4'-P energy: -125.208 bonds (distance) P-C4' energy: -124.524 flat angles C4'-P-C4' energy: -116.419 flat angles P-C4'-P energy: -42.520 tors. eta vs tors. theta energy: 7.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -2298.445003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.445003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.445003 (E_RNA) where: Base-Base interactions energy: -1502.804 where: short stacking energy: -689.058 Base-Backbone interact. energy: -1.454 local terms energy: -794.187093 where: bonds (distance) C4'-P energy: -162.452 bonds (distance) P-C4' energy: -167.627 flat angles C4'-P-C4' energy: -169.635 flat angles P-C4'-P energy: -110.467 tors. eta vs tors. theta energy: -184.006 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: 2, replica: 10 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -2257.468705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.468705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.468705 (E_RNA) where: Base-Base interactions energy: -1497.486 where: short stacking energy: -666.818 Base-Backbone interact. energy: 3.012 local terms energy: -762.994732 where: bonds (distance) C4'-P energy: -158.170 bonds (distance) P-C4' energy: -160.955 flat angles C4'-P-C4' energy: -165.701 flat angles P-C4'-P energy: -107.380 tors. eta vs tors. theta energy: -170.790 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: 3, replica: 8 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -2064.180531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.180531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.180531 (E_RNA) where: Base-Base interactions energy: -1327.107 where: short stacking energy: -623.120 Base-Backbone interact. energy: -1.681 local terms energy: -735.392341 where: bonds (distance) C4'-P energy: -150.986 bonds (distance) P-C4' energy: -165.772 flat angles C4'-P-C4' energy: -161.146 flat angles P-C4'-P energy: -101.176 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: 4, replica: 3 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1912.702295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.702295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.702295 (E_RNA) where: Base-Base interactions energy: -1190.691 where: short stacking energy: -546.811 Base-Backbone interact. energy: -1.206 local terms energy: -720.805254 where: bonds (distance) C4'-P energy: -139.187 bonds (distance) P-C4' energy: -167.666 flat angles C4'-P-C4' energy: -170.046 flat angles P-C4'-P energy: -101.649 tors. eta vs tors. theta energy: -142.259 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: 5, replica: 2 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1730.967158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.967158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.967158 (E_RNA) where: Base-Base interactions energy: -1051.917 where: short stacking energy: -494.371 Base-Backbone interact. energy: 1.296 local terms energy: -680.346644 where: bonds (distance) C4'-P energy: -146.680 bonds (distance) P-C4' energy: -156.648 flat angles C4'-P-C4' energy: -149.502 flat angles P-C4'-P energy: -110.534 tors. eta vs tors. theta energy: -116.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1591.895413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.895413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.895413 (E_RNA) where: Base-Base interactions energy: -997.747 where: short stacking energy: -446.201 Base-Backbone interact. energy: 0.343 local terms energy: -594.491323 where: bonds (distance) C4'-P energy: -127.040 bonds (distance) P-C4' energy: -128.368 flat angles C4'-P-C4' energy: -166.132 flat angles P-C4'-P energy: -85.494 tors. eta vs tors. theta energy: -87.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1317.139512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.139512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.139512 (E_RNA) where: Base-Base interactions energy: -738.502 where: short stacking energy: -391.144 Base-Backbone interact. energy: 1.587 local terms energy: -580.224589 where: bonds (distance) C4'-P energy: -133.415 bonds (distance) P-C4' energy: -148.637 flat angles C4'-P-C4' energy: -139.393 flat angles P-C4'-P energy: -96.623 tors. eta vs tors. theta energy: -62.156 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: 5 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -933.860613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.860613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.860613 (E_RNA) where: Base-Base interactions energy: -432.154 where: short stacking energy: -270.877 Base-Backbone interact. energy: 2.340 local terms energy: -504.046628 where: bonds (distance) C4'-P energy: -122.802 bonds (distance) P-C4' energy: -146.204 flat angles C4'-P-C4' energy: -122.531 flat angles P-C4'-P energy: -83.390 tors. eta vs tors. theta energy: -29.119 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: 9, replica: 9 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -769.558790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.558790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.558790 (E_RNA) where: Base-Base interactions energy: -348.116 where: short stacking energy: -224.180 Base-Backbone interact. energy: 2.277 local terms energy: -423.720377 where: bonds (distance) C4'-P energy: -132.500 bonds (distance) P-C4' energy: -128.362 flat angles C4'-P-C4' energy: -122.699 flat angles P-C4'-P energy: -63.085 tors. eta vs tors. theta energy: 22.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -623.271793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.271793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.271793 (E_RNA) where: Base-Base interactions energy: -226.788 where: short stacking energy: -166.650 Base-Backbone interact. energy: -5.295 local terms energy: -391.188044 where: bonds (distance) C4'-P energy: -126.258 bonds (distance) P-C4' energy: -128.600 flat angles C4'-P-C4' energy: -93.682 flat angles P-C4'-P energy: -74.845 tors. eta vs tors. theta energy: 32.197 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: 4 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -2362.182969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.182969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.182969 (E_RNA) where: Base-Base interactions energy: -1552.304 where: short stacking energy: -691.159 Base-Backbone interact. energy: -4.837 local terms energy: -805.041821 where: bonds (distance) C4'-P energy: -154.641 bonds (distance) P-C4' energy: -167.988 flat angles C4'-P-C4' energy: -179.861 flat angles P-C4'-P energy: -116.661 tors. eta vs tors. theta energy: -185.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -2228.514132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.514132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.514132 (E_RNA) where: Base-Base interactions energy: -1483.258 where: short stacking energy: -666.884 Base-Backbone interact. energy: -4.457 local terms energy: -740.799108 where: bonds (distance) C4'-P energy: -140.978 bonds (distance) P-C4' energy: -154.207 flat angles C4'-P-C4' energy: -159.759 flat angles P-C4'-P energy: -103.445 tors. eta vs tors. theta energy: -182.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -2087.548687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.548687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.548687 (E_RNA) where: Base-Base interactions energy: -1343.363 where: short stacking energy: -615.634 Base-Backbone interact. energy: -3.397 local terms energy: -740.788076 where: bonds (distance) C4'-P energy: -142.842 bonds (distance) P-C4' energy: -163.333 flat angles C4'-P-C4' energy: -169.306 flat angles P-C4'-P energy: -107.793 tors. eta vs tors. theta energy: -157.514 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: 3 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1903.127970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.127970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.127970 (E_RNA) where: Base-Base interactions energy: -1208.911 where: short stacking energy: -558.136 Base-Backbone interact. energy: 2.050 local terms energy: -696.267587 where: bonds (distance) C4'-P energy: -147.090 bonds (distance) P-C4' energy: -148.726 flat angles C4'-P-C4' energy: -167.251 flat angles P-C4'-P energy: -102.771 tors. eta vs tors. theta energy: -130.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1745.709673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.709673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.709673 (E_RNA) where: Base-Base interactions energy: -1079.751 where: short stacking energy: -528.553 Base-Backbone interact. energy: -1.369 local terms energy: -664.589487 where: bonds (distance) C4'-P energy: -140.848 bonds (distance) P-C4' energy: -158.367 flat angles C4'-P-C4' energy: -162.482 flat angles P-C4'-P energy: -91.503 tors. eta vs tors. theta energy: -111.389 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: 6, replica: 1 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1569.361989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.361989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.361989 (E_RNA) where: Base-Base interactions energy: -937.585 where: short stacking energy: -437.067 Base-Backbone interact. energy: 3.666 local terms energy: -635.443548 where: bonds (distance) C4'-P energy: -138.122 bonds (distance) P-C4' energy: -158.930 flat angles C4'-P-C4' energy: -141.449 flat angles P-C4'-P energy: -87.655 tors. eta vs tors. theta energy: -109.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1339.068089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.068089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.068089 (E_RNA) where: Base-Base interactions energy: -796.604 where: short stacking energy: -412.671 Base-Backbone interact. energy: 12.476 local terms energy: -554.939767 where: bonds (distance) C4'-P energy: -123.310 bonds (distance) P-C4' energy: -140.173 flat angles C4'-P-C4' energy: -131.657 flat angles P-C4'-P energy: -88.404 tors. eta vs tors. theta energy: -71.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -990.584630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.584630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.584630 (E_RNA) where: Base-Base interactions energy: -486.785 where: short stacking energy: -294.074 Base-Backbone interact. energy: -1.235 local terms energy: -502.564440 where: bonds (distance) C4'-P energy: -123.239 bonds (distance) P-C4' energy: -151.400 flat angles C4'-P-C4' energy: -112.536 flat angles P-C4'-P energy: -87.109 tors. eta vs tors. theta energy: -28.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -862.163405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.163405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.163405 (E_RNA) where: Base-Base interactions energy: -423.377 where: short stacking energy: -250.031 Base-Backbone interact. energy: -1.491 local terms energy: -437.296289 where: bonds (distance) C4'-P energy: -121.221 bonds (distance) P-C4' energy: -138.243 flat angles C4'-P-C4' energy: -114.973 flat angles P-C4'-P energy: -57.474 tors. eta vs tors. theta energy: -5.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -600.985193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.985193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.985193 (E_RNA) where: Base-Base interactions energy: -165.965 where: short stacking energy: -135.042 Base-Backbone interact. energy: -1.885 local terms energy: -433.134503 where: bonds (distance) C4'-P energy: -126.546 bonds (distance) P-C4' energy: -147.987 flat angles C4'-P-C4' energy: -121.599 flat angles P-C4'-P energy: -80.987 tors. eta vs tors. theta energy: 43.985 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: 1, replica: 4 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -2342.100011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.100011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.100011 (E_RNA) where: Base-Base interactions energy: -1540.505 where: short stacking energy: -693.559 Base-Backbone interact. energy: -4.481 local terms energy: -797.114770 where: bonds (distance) C4'-P energy: -162.374 bonds (distance) P-C4' energy: -164.885 flat angles C4'-P-C4' energy: -173.198 flat angles P-C4'-P energy: -116.380 tors. eta vs tors. theta energy: -180.279 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: 10 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -2193.618159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.618159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.618159 (E_RNA) where: Base-Base interactions energy: -1475.211 where: short stacking energy: -633.476 Base-Backbone interact. energy: 0.765 local terms energy: -719.172019 where: bonds (distance) C4'-P energy: -145.017 bonds (distance) P-C4' energy: -161.288 flat angles C4'-P-C4' energy: -155.970 flat angles P-C4'-P energy: -92.448 tors. eta vs tors. theta energy: -164.449 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: 8 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -2079.870939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.870939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.870939 (E_RNA) where: Base-Base interactions energy: -1370.984 where: short stacking energy: -587.343 Base-Backbone interact. energy: -1.074 local terms energy: -707.813181 where: bonds (distance) C4'-P energy: -144.565 bonds (distance) P-C4' energy: -135.402 flat angles C4'-P-C4' energy: -171.281 flat angles P-C4'-P energy: -123.821 tors. eta vs tors. theta energy: -132.744 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: 3 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1930.834917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.834917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.834917 (E_RNA) where: Base-Base interactions energy: -1233.141 where: short stacking energy: -527.089 Base-Backbone interact. energy: -1.645 local terms energy: -696.049337 where: bonds (distance) C4'-P energy: -157.292 bonds (distance) P-C4' energy: -149.205 flat angles C4'-P-C4' energy: -153.298 flat angles P-C4'-P energy: -118.273 tors. eta vs tors. theta energy: -117.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1742.780285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.780285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.780285 (E_RNA) where: Base-Base interactions energy: -1099.091 where: short stacking energy: -518.387 Base-Backbone interact. energy: 0.622 local terms energy: -644.310917 where: bonds (distance) C4'-P energy: -136.576 bonds (distance) P-C4' energy: -141.347 flat angles C4'-P-C4' energy: -165.693 flat angles P-C4'-P energy: -88.195 tors. eta vs tors. theta energy: -112.499 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: 6, replica: 1 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1727.457717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.457717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.457717 (E_RNA) where: Base-Base interactions energy: -1113.498 where: short stacking energy: -490.730 Base-Backbone interact. energy: 0.063 local terms energy: -614.022303 where: bonds (distance) C4'-P energy: -135.928 bonds (distance) P-C4' energy: -145.588 flat angles C4'-P-C4' energy: -149.357 flat angles P-C4'-P energy: -75.874 tors. eta vs tors. theta energy: -107.275 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: 7, replica: 6 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1282.653164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.653164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.653164 (E_RNA) where: Base-Base interactions energy: -742.582 where: short stacking energy: -372.283 Base-Backbone interact. energy: -1.721 local terms energy: -538.350636 where: bonds (distance) C4'-P energy: -122.439 bonds (distance) P-C4' energy: -145.352 flat angles C4'-P-C4' energy: -135.849 flat angles P-C4'-P energy: -81.822 tors. eta vs tors. theta energy: -52.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -900.218832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.218832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.218832 (E_RNA) where: Base-Base interactions energy: -414.669 where: short stacking energy: -248.240 Base-Backbone interact. energy: -4.148 local terms energy: -481.401741 where: bonds (distance) C4'-P energy: -148.012 bonds (distance) P-C4' energy: -137.553 flat angles C4'-P-C4' energy: -109.774 flat angles P-C4'-P energy: -79.944 tors. eta vs tors. theta energy: -6.119 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: 9, replica: 5 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -839.375112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.375112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.375112 (E_RNA) where: Base-Base interactions energy: -411.709 where: short stacking energy: -256.585 Base-Backbone interact. energy: 3.780 local terms energy: -431.446069 where: bonds (distance) C4'-P energy: -122.857 bonds (distance) P-C4' energy: -124.943 flat angles C4'-P-C4' energy: -120.133 flat angles P-C4'-P energy: -53.520 tors. eta vs tors. theta energy: -9.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -609.050511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.050511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.050511 (E_RNA) where: Base-Base interactions energy: -229.374 where: short stacking energy: -181.094 Base-Backbone interact. energy: -3.989 local terms energy: -375.688195 where: bonds (distance) C4'-P energy: -128.609 bonds (distance) P-C4' energy: -123.626 flat angles C4'-P-C4' energy: -101.754 flat angles P-C4'-P energy: -53.009 tors. eta vs tors. theta energy: 31.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -2354.478700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.478700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.478700 (E_RNA) where: Base-Base interactions energy: -1552.569 where: short stacking energy: -688.027 Base-Backbone interact. energy: -4.261 local terms energy: -797.648116 where: bonds (distance) C4'-P energy: -153.814 bonds (distance) P-C4' energy: -160.617 flat angles C4'-P-C4' energy: -180.739 flat angles P-C4'-P energy: -122.210 tors. eta vs tors. theta energy: -180.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -2206.363084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.363084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.363084 (E_RNA) where: Base-Base interactions energy: -1453.672 where: short stacking energy: -662.938 Base-Backbone interact. energy: -3.514 local terms energy: -749.177524 where: bonds (distance) C4'-P energy: -156.724 bonds (distance) P-C4' energy: -159.659 flat angles C4'-P-C4' energy: -164.179 flat angles P-C4'-P energy: -96.222 tors. eta vs tors. theta energy: -172.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -2103.956797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.956797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.956797 (E_RNA) where: Base-Base interactions energy: -1403.624 where: short stacking energy: -619.520 Base-Backbone interact. energy: 1.221 local terms energy: -701.554652 where: bonds (distance) C4'-P energy: -159.893 bonds (distance) P-C4' energy: -142.725 flat angles C4'-P-C4' energy: -155.343 flat angles P-C4'-P energy: -93.197 tors. eta vs tors. theta energy: -150.396 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: 2 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1876.258591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.258591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.258591 (E_RNA) where: Base-Base interactions energy: -1182.812 where: short stacking energy: -535.835 Base-Backbone interact. energy: -2.792 local terms energy: -690.654558 where: bonds (distance) C4'-P energy: -142.417 bonds (distance) P-C4' energy: -161.479 flat angles C4'-P-C4' energy: -158.725 flat angles P-C4'-P energy: -95.565 tors. eta vs tors. theta energy: -132.469 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: 3 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1861.440933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.440933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.440933 (E_RNA) where: Base-Base interactions energy: -1187.930 where: short stacking energy: -531.197 Base-Backbone interact. energy: -4.711 local terms energy: -668.800198 where: bonds (distance) C4'-P energy: -132.193 bonds (distance) P-C4' energy: -164.152 flat angles C4'-P-C4' energy: -155.422 flat angles P-C4'-P energy: -94.255 tors. eta vs tors. theta energy: -122.778 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: 6, replica: 1 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1655.419689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.419689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.419689 (E_RNA) where: Base-Base interactions energy: -1037.516 where: short stacking energy: -466.212 Base-Backbone interact. energy: 0.011 local terms energy: -617.914717 where: bonds (distance) C4'-P energy: -139.906 bonds (distance) P-C4' energy: -157.525 flat angles C4'-P-C4' energy: -134.875 flat angles P-C4'-P energy: -80.803 tors. eta vs tors. theta energy: -104.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1287.244412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.244412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.244412 (E_RNA) where: Base-Base interactions energy: -756.385 where: short stacking energy: -384.566 Base-Backbone interact. energy: -3.071 local terms energy: -527.787947 where: bonds (distance) C4'-P energy: -118.722 bonds (distance) P-C4' energy: -150.441 flat angles C4'-P-C4' energy: -133.212 flat angles P-C4'-P energy: -58.023 tors. eta vs tors. theta energy: -67.390 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: 9 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -853.885262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.885262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.885262 (E_RNA) where: Base-Base interactions energy: -362.825 where: short stacking energy: -256.558 Base-Backbone interact. energy: -0.189 local terms energy: -490.871737 where: bonds (distance) C4'-P energy: -118.106 bonds (distance) P-C4' energy: -152.038 flat angles C4'-P-C4' energy: -122.989 flat angles P-C4'-P energy: -87.768 tors. eta vs tors. theta energy: -9.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -829.007041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.007041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.007041 (E_RNA) where: Base-Base interactions energy: -332.916 where: short stacking energy: -197.978 Base-Backbone interact. energy: -0.848 local terms energy: -495.243121 where: bonds (distance) C4'-P energy: -141.763 bonds (distance) P-C4' energy: -155.730 flat angles C4'-P-C4' energy: -129.013 flat angles P-C4'-P energy: -83.337 tors. eta vs tors. theta energy: 14.600 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: 10, replica: 7 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -605.925780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.925780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.925780 (E_RNA) where: Base-Base interactions energy: -219.397 where: short stacking energy: -170.139 Base-Backbone interact. energy: -1.587 local terms energy: -384.941511 where: bonds (distance) C4'-P energy: -113.208 bonds (distance) P-C4' energy: -127.718 flat angles C4'-P-C4' energy: -115.634 flat angles P-C4'-P energy: -53.141 tors. eta vs tors. theta energy: 24.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -2326.810393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.810393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.810393 (E_RNA) where: Base-Base interactions energy: -1544.665 where: short stacking energy: -699.165 Base-Backbone interact. energy: -3.298 local terms energy: -778.847794 where: bonds (distance) C4'-P energy: -147.166 bonds (distance) P-C4' energy: -152.801 flat angles C4'-P-C4' energy: -181.858 flat angles P-C4'-P energy: -105.996 tors. eta vs tors. theta energy: -191.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -2180.459323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.459323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.459323 (E_RNA) where: Base-Base interactions energy: -1431.907 where: short stacking energy: -639.634 Base-Backbone interact. energy: 1.180 local terms energy: -749.732789 where: bonds (distance) C4'-P energy: -150.364 bonds (distance) P-C4' energy: -157.161 flat angles C4'-P-C4' energy: -172.378 flat angles P-C4'-P energy: -113.532 tors. eta vs tors. theta energy: -156.297 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: 8 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -2095.747332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.747332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.747332 (E_RNA) where: Base-Base interactions energy: -1341.660 where: short stacking energy: -602.603 Base-Backbone interact. energy: -5.278 local terms energy: -748.809027 where: bonds (distance) C4'-P energy: -137.823 bonds (distance) P-C4' energy: -163.630 flat angles C4'-P-C4' energy: -165.773 flat angles P-C4'-P energy: -124.802 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: 4, replica: 2 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1890.657947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.657947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.657947 (E_RNA) where: Base-Base interactions energy: -1158.987 where: short stacking energy: -594.896 Base-Backbone interact. energy: -2.670 local terms energy: -729.000546 where: bonds (distance) C4'-P energy: -139.313 bonds (distance) P-C4' energy: -152.676 flat angles C4'-P-C4' energy: -166.060 flat angles P-C4'-P energy: -102.183 tors. eta vs tors. theta energy: -168.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1794.608533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.608533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.608533 (E_RNA) where: Base-Base interactions energy: -1143.762 where: short stacking energy: -514.587 Base-Backbone interact. energy: 1.078 local terms energy: -651.924415 where: bonds (distance) C4'-P energy: -142.531 bonds (distance) P-C4' energy: -158.100 flat angles C4'-P-C4' energy: -154.196 flat angles P-C4'-P energy: -74.155 tors. eta vs tors. theta energy: -122.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1701.733656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.733656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.733656 (E_RNA) where: Base-Base interactions energy: -1071.530 where: short stacking energy: -509.134 Base-Backbone interact. energy: -3.475 local terms energy: -626.728644 where: bonds (distance) C4'-P energy: -123.543 bonds (distance) P-C4' energy: -144.294 flat angles C4'-P-C4' energy: -155.245 flat angles P-C4'-P energy: -82.442 tors. eta vs tors. theta energy: -121.204 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: 6 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1272.117999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.117999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.117999 (E_RNA) where: Base-Base interactions energy: -716.012 where: short stacking energy: -337.092 Base-Backbone interact. energy: 6.332 local terms energy: -562.437677 where: bonds (distance) C4'-P energy: -125.915 bonds (distance) P-C4' energy: -132.454 flat angles C4'-P-C4' energy: -147.062 flat angles P-C4'-P energy: -97.343 tors. eta vs tors. theta energy: -59.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -840.113237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.113237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.113237 (E_RNA) where: Base-Base interactions energy: -406.428 where: short stacking energy: -226.579 Base-Backbone interact. energy: 5.218 local terms energy: -438.903894 where: bonds (distance) C4'-P energy: -138.565 bonds (distance) P-C4' energy: -134.492 flat angles C4'-P-C4' energy: -111.826 flat angles P-C4'-P energy: -52.358 tors. eta vs tors. theta energy: -1.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -857.993401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.993401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.993401 (E_RNA) where: Base-Base interactions energy: -441.553 where: short stacking energy: -246.918 Base-Backbone interact. energy: -1.945 local terms energy: -414.495251 where: bonds (distance) C4'-P energy: -141.258 bonds (distance) P-C4' energy: -124.101 flat angles C4'-P-C4' energy: -103.289 flat angles P-C4'-P energy: -50.639 tors. eta vs tors. theta energy: 4.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -590.706404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.706404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.706404 (E_RNA) where: Base-Base interactions energy: -190.457 where: short stacking energy: -141.204 Base-Backbone interact. energy: 4.021 local terms energy: -404.270046 where: bonds (distance) C4'-P energy: -123.863 bonds (distance) P-C4' energy: -133.030 flat angles C4'-P-C4' energy: -132.383 flat angles P-C4'-P energy: -71.975 tors. eta vs tors. theta energy: 56.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -2338.693773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.693773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.693773 (E_RNA) where: Base-Base interactions energy: -1554.530 where: short stacking energy: -659.777 Base-Backbone interact. energy: -5.646 local terms energy: -778.517703 where: bonds (distance) C4'-P energy: -162.736 bonds (distance) P-C4' energy: -158.740 flat angles C4'-P-C4' energy: -164.468 flat angles P-C4'-P energy: -109.773 tors. eta vs tors. theta energy: -182.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -2214.418686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.418686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.418686 (E_RNA) where: Base-Base interactions energy: -1480.428 where: short stacking energy: -599.348 Base-Backbone interact. energy: -6.173 local terms energy: -727.818079 where: bonds (distance) C4'-P energy: -133.645 bonds (distance) P-C4' energy: -157.760 flat angles C4'-P-C4' energy: -163.784 flat angles P-C4'-P energy: -116.900 tors. eta vs tors. theta energy: -155.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -2137.422310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.422310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.422310 (E_RNA) where: Base-Base interactions energy: -1406.273 where: short stacking energy: -617.030 Base-Backbone interact. energy: 1.858 local terms energy: -733.006641 where: bonds (distance) C4'-P energy: -149.881 bonds (distance) P-C4' energy: -153.717 flat angles C4'-P-C4' energy: -161.033 flat angles P-C4'-P energy: -107.714 tors. eta vs tors. theta energy: -160.662 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: 4, replica: 2 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1909.833391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.833391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.833391 (E_RNA) where: Base-Base interactions energy: -1181.022 where: short stacking energy: -577.794 Base-Backbone interact. energy: 2.050 local terms energy: -730.861320 where: bonds (distance) C4'-P energy: -146.534 bonds (distance) P-C4' energy: -169.136 flat angles C4'-P-C4' energy: -156.107 flat angles P-C4'-P energy: -110.307 tors. eta vs tors. theta energy: -148.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1840.480832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.480832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.480832 (E_RNA) where: Base-Base interactions energy: -1164.580 where: short stacking energy: -546.395 Base-Backbone interact. energy: -4.950 local terms energy: -670.950028 where: bonds (distance) C4'-P energy: -139.142 bonds (distance) P-C4' energy: -164.183 flat angles C4'-P-C4' energy: -155.739 flat angles P-C4'-P energy: -90.090 tors. eta vs tors. theta energy: -121.795 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: 1 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1744.679130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.679130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.679130 (E_RNA) where: Base-Base interactions energy: -1080.026 where: short stacking energy: -494.866 Base-Backbone interact. energy: -2.139 local terms energy: -662.514685 where: bonds (distance) C4'-P energy: -152.680 bonds (distance) P-C4' energy: -127.250 flat angles C4'-P-C4' energy: -156.549 flat angles P-C4'-P energy: -84.489 tors. eta vs tors. theta energy: -141.547 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: 7, replica: 6 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1301.040257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.040257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.040257 (E_RNA) where: Base-Base interactions energy: -752.624 where: short stacking energy: -374.294 Base-Backbone interact. energy: -2.610 local terms energy: -545.805805 where: bonds (distance) C4'-P energy: -119.605 bonds (distance) P-C4' energy: -162.454 flat angles C4'-P-C4' energy: -125.843 flat angles P-C4'-P energy: -87.713 tors. eta vs tors. theta energy: -50.190 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: 8, replica: 5 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -929.844068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.844068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.844068 (E_RNA) where: Base-Base interactions energy: -414.437 where: short stacking energy: -261.597 Base-Backbone interact. energy: -0.085 local terms energy: -515.322140 where: bonds (distance) C4'-P energy: -134.592 bonds (distance) P-C4' energy: -151.453 flat angles C4'-P-C4' energy: -125.454 flat angles P-C4'-P energy: -87.104 tors. eta vs tors. theta energy: -16.719 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: 9 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -791.073445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.073445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.073445 (E_RNA) where: Base-Base interactions energy: -356.644 where: short stacking energy: -199.187 Base-Backbone interact. energy: -2.120 local terms energy: -432.308872 where: bonds (distance) C4'-P energy: -116.791 bonds (distance) P-C4' energy: -154.912 flat angles C4'-P-C4' energy: -123.324 flat angles P-C4'-P energy: -58.385 tors. eta vs tors. theta energy: 21.103 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: 7 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -629.864886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.864886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.864886 (E_RNA) where: Base-Base interactions energy: -235.581 where: short stacking energy: -152.113 Base-Backbone interact. energy: 3.879 local terms energy: -398.162138 where: bonds (distance) C4'-P energy: -115.094 bonds (distance) P-C4' energy: -143.741 flat angles C4'-P-C4' energy: -100.887 flat angles P-C4'-P energy: -69.069 tors. eta vs tors. theta energy: 30.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -2380.379296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.379296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.379296 (E_RNA) where: Base-Base interactions energy: -1568.453 where: short stacking energy: -705.560 Base-Backbone interact. energy: -3.861 local terms energy: -808.065412 where: bonds (distance) C4'-P energy: -157.669 bonds (distance) P-C4' energy: -163.776 flat angles C4'-P-C4' energy: -180.415 flat angles P-C4'-P energy: -111.590 tors. eta vs tors. theta energy: -194.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -2234.508276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.508276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.508276 (E_RNA) where: Base-Base interactions energy: -1505.258 where: short stacking energy: -664.473 Base-Backbone interact. energy: -0.384 local terms energy: -728.866445 where: bonds (distance) C4'-P energy: -151.782 bonds (distance) P-C4' energy: -159.037 flat angles C4'-P-C4' energy: -153.095 flat angles P-C4'-P energy: -100.306 tors. eta vs tors. theta energy: -164.646 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: 3, replica: 8 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -2111.489469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.489469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.489469 (E_RNA) where: Base-Base interactions energy: -1382.949 where: short stacking energy: -634.819 Base-Backbone interact. energy: -3.058 local terms energy: -725.482592 where: bonds (distance) C4'-P energy: -139.816 bonds (distance) P-C4' energy: -156.060 flat angles C4'-P-C4' energy: -168.263 flat angles P-C4'-P energy: -122.141 tors. eta vs tors. theta energy: -139.203 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: 2 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1897.361815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.361815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.361815 (E_RNA) where: Base-Base interactions energy: -1214.879 where: short stacking energy: -559.468 Base-Backbone interact. energy: -3.822 local terms energy: -678.661265 where: bonds (distance) C4'-P energy: -131.138 bonds (distance) P-C4' energy: -134.868 flat angles C4'-P-C4' energy: -157.391 flat angles P-C4'-P energy: -111.311 tors. eta vs tors. theta energy: -143.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1893.157144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.157144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.157144 (E_RNA) where: Base-Base interactions energy: -1235.529 where: short stacking energy: -553.515 Base-Backbone interact. energy: 1.397 local terms energy: -659.024794 where: bonds (distance) C4'-P energy: -108.230 bonds (distance) P-C4' energy: -151.646 flat angles C4'-P-C4' energy: -142.170 flat angles P-C4'-P energy: -107.722 tors. eta vs tors. theta energy: -149.256 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: 6, replica: 3 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1700.421298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.421298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.421298 (E_RNA) where: Base-Base interactions energy: -1065.150 where: short stacking energy: -461.307 Base-Backbone interact. energy: -3.249 local terms energy: -632.022002 where: bonds (distance) C4'-P energy: -144.747 bonds (distance) P-C4' energy: -157.033 flat angles C4'-P-C4' energy: -151.744 flat angles P-C4'-P energy: -94.180 tors. eta vs tors. theta energy: -84.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1287.338907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.338907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.338907 (E_RNA) where: Base-Base interactions energy: -720.311 where: short stacking energy: -393.787 Base-Backbone interact. energy: -0.223 local terms energy: -566.804848 where: bonds (distance) C4'-P energy: -125.138 bonds (distance) P-C4' energy: -146.440 flat angles C4'-P-C4' energy: -151.869 flat angles P-C4'-P energy: -82.033 tors. eta vs tors. theta energy: -61.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -890.862257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.862257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.862257 (E_RNA) where: Base-Base interactions energy: -428.041 where: short stacking energy: -253.525 Base-Backbone interact. energy: -2.421 local terms energy: -460.400415 where: bonds (distance) C4'-P energy: -129.179 bonds (distance) P-C4' energy: -149.957 flat angles C4'-P-C4' energy: -111.390 flat angles P-C4'-P energy: -70.115 tors. eta vs tors. theta energy: 0.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -785.646827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.646827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.646827 (E_RNA) where: Base-Base interactions energy: -378.422 where: short stacking energy: -236.572 Base-Backbone interact. energy: 2.705 local terms energy: -409.929546 where: bonds (distance) C4'-P energy: -119.729 bonds (distance) P-C4' energy: -147.185 flat angles C4'-P-C4' energy: -89.363 flat angles P-C4'-P energy: -67.090 tors. eta vs tors. theta energy: 13.437 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: 7 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -580.275892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.275892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.275892 (E_RNA) where: Base-Base interactions energy: -201.985 where: short stacking energy: -153.372 Base-Backbone interact. energy: 0.766 local terms energy: -379.056220 where: bonds (distance) C4'-P energy: -112.948 bonds (distance) P-C4' energy: -121.654 flat angles C4'-P-C4' energy: -114.065 flat angles P-C4'-P energy: -66.613 tors. eta vs tors. theta energy: 36.224 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: 4 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -2389.591915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.591915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.591915 (E_RNA) where: Base-Base interactions energy: -1597.583 where: short stacking energy: -657.923 Base-Backbone interact. energy: -3.264 local terms energy: -788.745255 where: bonds (distance) C4'-P energy: -151.353 bonds (distance) P-C4' energy: -174.099 flat angles C4'-P-C4' energy: -164.574 flat angles P-C4'-P energy: -117.929 tors. eta vs tors. theta energy: -180.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -2274.081419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.081419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.081419 (E_RNA) where: Base-Base interactions energy: -1474.550 where: short stacking energy: -691.539 Base-Backbone interact. energy: -3.949 local terms energy: -795.582548 where: bonds (distance) C4'-P energy: -159.610 bonds (distance) P-C4' energy: -158.115 flat angles C4'-P-C4' energy: -178.845 flat angles P-C4'-P energy: -100.570 tors. eta vs tors. theta energy: -198.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -2142.424497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.424497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.424497 (E_RNA) where: Base-Base interactions energy: -1415.287 where: short stacking energy: -605.858 Base-Backbone interact. energy: -1.150 local terms energy: -725.987891 where: bonds (distance) C4'-P energy: -132.593 bonds (distance) P-C4' energy: -151.949 flat angles C4'-P-C4' energy: -162.905 flat angles P-C4'-P energy: -107.565 tors. eta vs tors. theta energy: -170.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -2006.827535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.827535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.827535 (E_RNA) where: Base-Base interactions energy: -1290.928 where: short stacking energy: -587.931 Base-Backbone interact. energy: -2.098 local terms energy: -713.801534 where: bonds (distance) C4'-P energy: -144.688 bonds (distance) P-C4' energy: -154.192 flat angles C4'-P-C4' energy: -180.123 flat angles P-C4'-P energy: -88.387 tors. eta vs tors. theta energy: -146.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1815.717939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.717939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.717939 (E_RNA) where: Base-Base interactions energy: -1168.139 where: short stacking energy: -572.258 Base-Backbone interact. energy: -1.140 local terms energy: -646.438927 where: bonds (distance) C4'-P energy: -130.805 bonds (distance) P-C4' energy: -143.268 flat angles C4'-P-C4' energy: -144.330 flat angles P-C4'-P energy: -92.643 tors. eta vs tors. theta energy: -135.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1539.612229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.612229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.612229 (E_RNA) where: Base-Base interactions energy: -947.234 where: short stacking energy: -465.784 Base-Backbone interact. energy: -3.340 local terms energy: -589.038309 where: bonds (distance) C4'-P energy: -124.276 bonds (distance) P-C4' energy: -151.484 flat angles C4'-P-C4' energy: -144.942 flat angles P-C4'-P energy: -79.480 tors. eta vs tors. theta energy: -88.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1245.939613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.939613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.939613 (E_RNA) where: Base-Base interactions energy: -723.015 where: short stacking energy: -359.074 Base-Backbone interact. energy: 0.345 local terms energy: -523.269769 where: bonds (distance) C4'-P energy: -139.759 bonds (distance) P-C4' energy: -120.498 flat angles C4'-P-C4' energy: -127.728 flat angles P-C4'-P energy: -87.540 tors. eta vs tors. theta energy: -47.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -1005.222637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.222637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.222637 (E_RNA) where: Base-Base interactions energy: -518.109 where: short stacking energy: -282.728 Base-Backbone interact. energy: 0.911 local terms energy: -488.024475 where: bonds (distance) C4'-P energy: -137.302 bonds (distance) P-C4' energy: -145.962 flat angles C4'-P-C4' energy: -126.386 flat angles P-C4'-P energy: -54.677 tors. eta vs tors. theta energy: -23.697 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: 45 Temperature: 1.300000 Total energy: -746.470571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.470571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.470571 (E_RNA) where: Base-Base interactions energy: -300.322 where: short stacking energy: -195.859 Base-Backbone interact. energy: -3.066 local terms energy: -443.082431 where: bonds (distance) C4'-P energy: -127.597 bonds (distance) P-C4' energy: -125.792 flat angles C4'-P-C4' energy: -133.314 flat angles P-C4'-P energy: -63.808 tors. eta vs tors. theta energy: 7.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -617.608683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.608683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.608683 (E_RNA) where: Base-Base interactions energy: -219.648 where: short stacking energy: -165.812 Base-Backbone interact. energy: 11.160 local terms energy: -409.121474 where: bonds (distance) C4'-P energy: -133.628 bonds (distance) P-C4' energy: -139.971 flat angles C4'-P-C4' energy: -117.610 flat angles P-C4'-P energy: -69.869 tors. eta vs tors. theta energy: 51.957 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: 1, replica: 4 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -2420.517958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.517958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.517958 (E_RNA) where: Base-Base interactions energy: -1604.202 where: short stacking energy: -667.503 Base-Backbone interact. energy: -5.263 local terms energy: -811.052422 where: bonds (distance) C4'-P energy: -170.603 bonds (distance) P-C4' energy: -166.731 flat angles C4'-P-C4' energy: -176.738 flat angles P-C4'-P energy: -104.174 tors. eta vs tors. theta energy: -192.807 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: 10 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -2268.954898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.954898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.954898 (E_RNA) where: Base-Base interactions energy: -1497.480 where: short stacking energy: -699.979 Base-Backbone interact. energy: -0.562 local terms energy: -770.912791 where: bonds (distance) C4'-P energy: -138.028 bonds (distance) P-C4' energy: -175.160 flat angles C4'-P-C4' energy: -171.299 flat angles P-C4'-P energy: -95.962 tors. eta vs tors. theta energy: -190.464 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: 3, replica: 8 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -2163.370281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.370281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.370281 (E_RNA) where: Base-Base interactions energy: -1439.616 where: short stacking energy: -627.742 Base-Backbone interact. energy: 2.483 local terms energy: -726.236857 where: bonds (distance) C4'-P energy: -132.711 bonds (distance) P-C4' energy: -164.727 flat angles C4'-P-C4' energy: -165.067 flat angles P-C4'-P energy: -104.032 tors. eta vs tors. theta energy: -159.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -2083.584660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.584660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.584660 (E_RNA) where: Base-Base interactions energy: -1382.807 where: short stacking energy: -617.598 Base-Backbone interact. energy: 0.072 local terms energy: -700.849594 where: bonds (distance) C4'-P energy: -144.777 bonds (distance) P-C4' energy: -136.183 flat angles C4'-P-C4' energy: -170.837 flat angles P-C4'-P energy: -95.460 tors. eta vs tors. theta energy: -153.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1778.348400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.348400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.348400 (E_RNA) where: Base-Base interactions energy: -1136.117 where: short stacking energy: -529.095 Base-Backbone interact. energy: -2.503 local terms energy: -639.728508 where: bonds (distance) C4'-P energy: -143.223 bonds (distance) P-C4' energy: -135.187 flat angles C4'-P-C4' energy: -157.027 flat angles P-C4'-P energy: -91.877 tors. eta vs tors. theta energy: -112.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1545.538726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.538726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.538726 (E_RNA) where: Base-Base interactions energy: -932.254 where: short stacking energy: -423.327 Base-Backbone interact. energy: -2.260 local terms energy: -611.024256 where: bonds (distance) C4'-P energy: -135.000 bonds (distance) P-C4' energy: -153.329 flat angles C4'-P-C4' energy: -155.776 flat angles P-C4'-P energy: -83.362 tors. eta vs tors. theta energy: -83.558 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: 7, replica: 6 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1311.412493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.412493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.412493 (E_RNA) where: Base-Base interactions energy: -767.228 where: short stacking energy: -387.876 Base-Backbone interact. energy: 3.286 local terms energy: -547.470897 where: bonds (distance) C4'-P energy: -144.682 bonds (distance) P-C4' energy: -148.966 flat angles C4'-P-C4' energy: -139.628 flat angles P-C4'-P energy: -59.317 tors. eta vs tors. theta energy: -54.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -1001.469179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.469179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.469179 (E_RNA) where: Base-Base interactions energy: -500.142 where: short stacking energy: -299.675 Base-Backbone interact. energy: -1.382 local terms energy: -499.945735 where: bonds (distance) C4'-P energy: -138.272 bonds (distance) P-C4' energy: -137.633 flat angles C4'-P-C4' energy: -127.130 flat angles P-C4'-P energy: -81.468 tors. eta vs tors. theta energy: -15.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -710.446133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.446133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.446133 (E_RNA) where: Base-Base interactions energy: -249.383 where: short stacking energy: -199.828 Base-Backbone interact. energy: 3.228 local terms energy: -464.291150 where: bonds (distance) C4'-P energy: -151.100 bonds (distance) P-C4' energy: -139.230 flat angles C4'-P-C4' energy: -111.327 flat angles P-C4'-P energy: -73.519 tors. eta vs tors. theta energy: 10.885 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: 7 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -635.025631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.025631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.025631 (E_RNA) where: Base-Base interactions energy: -225.402 where: short stacking energy: -171.588 Base-Backbone interact. energy: 3.380 local terms energy: -413.003703 where: bonds (distance) C4'-P energy: -107.927 bonds (distance) P-C4' energy: -132.061 flat angles C4'-P-C4' energy: -124.458 flat angles P-C4'-P energy: -77.927 tors. eta vs tors. theta energy: 29.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -2362.631215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.631215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.631215 (E_RNA) where: Base-Base interactions energy: -1580.331 where: short stacking energy: -688.136 Base-Backbone interact. energy: -5.846 local terms energy: -776.454080 where: bonds (distance) C4'-P energy: -149.915 bonds (distance) P-C4' energy: -160.019 flat angles C4'-P-C4' energy: -179.503 flat angles P-C4'-P energy: -103.357 tors. eta vs tors. theta energy: -183.660 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: 47 Temperature: 0.950000 Total energy: -2301.265368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.265368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.265368 (E_RNA) where: Base-Base interactions energy: -1519.818 where: short stacking energy: -635.988 Base-Backbone interact. energy: -1.641 local terms energy: -779.807172 where: bonds (distance) C4'-P energy: -141.420 bonds (distance) P-C4' energy: -148.066 flat angles C4'-P-C4' energy: -192.406 flat angles P-C4'-P energy: -126.190 tors. eta vs tors. theta energy: -171.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -2167.186765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.186765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.186765 (E_RNA) where: Base-Base interactions energy: -1417.386 where: short stacking energy: -631.945 Base-Backbone interact. energy: -4.673 local terms energy: -745.127992 where: bonds (distance) C4'-P energy: -159.987 bonds (distance) P-C4' energy: -158.761 flat angles C4'-P-C4' energy: -169.229 flat angles P-C4'-P energy: -109.384 tors. eta vs tors. theta energy: -147.766 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: 1 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -2086.819900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.819900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.819900 (E_RNA) where: Base-Base interactions energy: -1371.054 where: short stacking energy: -579.933 Base-Backbone interact. energy: -1.686 local terms energy: -714.080383 where: bonds (distance) C4'-P energy: -141.237 bonds (distance) P-C4' energy: -148.294 flat angles C4'-P-C4' energy: -168.864 flat angles P-C4'-P energy: -100.719 tors. eta vs tors. theta energy: -154.966 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: 5, replica: 2 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1796.509986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.509986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.509986 (E_RNA) where: Base-Base interactions energy: -1117.592 where: short stacking energy: -556.470 Base-Backbone interact. energy: 2.883 local terms energy: -681.800475 where: bonds (distance) C4'-P energy: -115.224 bonds (distance) P-C4' energy: -162.309 flat angles C4'-P-C4' energy: -159.715 flat angles P-C4'-P energy: -108.452 tors. eta vs tors. theta energy: -136.100 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: 3 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1535.837605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.837605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.837605 (E_RNA) where: Base-Base interactions energy: -920.544 where: short stacking energy: -467.453 Base-Backbone interact. energy: 0.877 local terms energy: -616.170464 where: bonds (distance) C4'-P energy: -123.904 bonds (distance) P-C4' energy: -143.539 flat angles C4'-P-C4' energy: -158.752 flat angles P-C4'-P energy: -90.810 tors. eta vs tors. theta energy: -99.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1301.504397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.504397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.504397 (E_RNA) where: Base-Base interactions energy: -768.802 where: short stacking energy: -387.748 Base-Backbone interact. energy: 1.522 local terms energy: -534.224672 where: bonds (distance) C4'-P energy: -142.050 bonds (distance) P-C4' energy: -127.164 flat angles C4'-P-C4' energy: -149.491 flat angles P-C4'-P energy: -49.285 tors. eta vs tors. theta energy: -66.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -990.612826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.612826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.612826 (E_RNA) where: Base-Base interactions energy: -510.111 where: short stacking energy: -291.402 Base-Backbone interact. energy: 4.851 local terms energy: -485.352697 where: bonds (distance) C4'-P energy: -129.193 bonds (distance) P-C4' energy: -131.563 flat angles C4'-P-C4' energy: -126.153 flat angles P-C4'-P energy: -76.299 tors. eta vs tors. theta energy: -22.144 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: 9, replica: 9 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -680.729397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.729397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.729397 (E_RNA) where: Base-Base interactions energy: -248.461 where: short stacking energy: -200.241 Base-Backbone interact. energy: 1.994 local terms energy: -434.262949 where: bonds (distance) C4'-P energy: -152.906 bonds (distance) P-C4' energy: -125.162 flat angles C4'-P-C4' energy: -109.666 flat angles P-C4'-P energy: -65.163 tors. eta vs tors. theta energy: 18.635 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: 7 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -629.504309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.504309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.504309 (E_RNA) where: Base-Base interactions energy: -203.041 where: short stacking energy: -164.026 Base-Backbone interact. energy: 1.783 local terms energy: -428.246676 where: bonds (distance) C4'-P energy: -131.667 bonds (distance) P-C4' energy: -132.709 flat angles C4'-P-C4' energy: -112.065 flat angles P-C4'-P energy: -77.096 tors. eta vs tors. theta energy: 25.290 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: 4 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -2378.481793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.481793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.481793 (E_RNA) where: Base-Base interactions energy: -1583.066 where: short stacking energy: -664.812 Base-Backbone interact. energy: -3.660 local terms energy: -791.755205 where: bonds (distance) C4'-P energy: -142.045 bonds (distance) P-C4' energy: -165.829 flat angles C4'-P-C4' energy: -184.438 flat angles P-C4'-P energy: -106.019 tors. eta vs tors. theta energy: -193.423 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: 10 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -2299.082980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.082980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.082980 (E_RNA) where: Base-Base interactions energy: -1522.511 where: short stacking energy: -648.058 Base-Backbone interact. energy: -4.570 local terms energy: -772.001774 where: bonds (distance) C4'-P energy: -150.616 bonds (distance) P-C4' energy: -154.928 flat angles C4'-P-C4' energy: -179.226 flat angles P-C4'-P energy: -107.737 tors. eta vs tors. theta energy: -179.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -2095.997402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.997402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.997402 (E_RNA) where: Base-Base interactions energy: -1330.235 where: short stacking energy: -622.158 Base-Backbone interact. energy: -2.361 local terms energy: -763.400525 where: bonds (distance) C4'-P energy: -157.402 bonds (distance) P-C4' energy: -167.473 flat angles C4'-P-C4' energy: -164.992 flat angles P-C4'-P energy: -117.450 tors. eta vs tors. theta energy: -156.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -2045.173707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.173707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.173707 (E_RNA) where: Base-Base interactions energy: -1329.978 where: short stacking energy: -610.101 Base-Backbone interact. energy: -4.737 local terms energy: -710.459171 where: bonds (distance) C4'-P energy: -133.871 bonds (distance) P-C4' energy: -160.350 flat angles C4'-P-C4' energy: -164.156 flat angles P-C4'-P energy: -97.909 tors. eta vs tors. theta energy: -154.174 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: 2 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1829.026955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.026955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.026955 (E_RNA) where: Base-Base interactions energy: -1150.239 where: short stacking energy: -529.613 Base-Backbone interact. energy: -3.314 local terms energy: -675.474381 where: bonds (distance) C4'-P energy: -153.524 bonds (distance) P-C4' energy: -141.691 flat angles C4'-P-C4' energy: -152.040 flat angles P-C4'-P energy: -97.580 tors. eta vs tors. theta energy: -130.640 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: 3 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1593.050163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.050163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.050163 (E_RNA) where: Base-Base interactions energy: -994.053 where: short stacking energy: -488.962 Base-Backbone interact. energy: -0.605 local terms energy: -598.391820 where: bonds (distance) C4'-P energy: -129.894 bonds (distance) P-C4' energy: -123.602 flat angles C4'-P-C4' energy: -154.895 flat angles P-C4'-P energy: -96.098 tors. eta vs tors. theta energy: -93.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1345.850461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.850461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.850461 (E_RNA) where: Base-Base interactions energy: -795.054 where: short stacking energy: -387.949 Base-Backbone interact. energy: 2.129 local terms energy: -552.925393 where: bonds (distance) C4'-P energy: -121.246 bonds (distance) P-C4' energy: -138.512 flat angles C4'-P-C4' energy: -146.872 flat angles P-C4'-P energy: -68.773 tors. eta vs tors. theta energy: -77.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -914.229074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.229074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.229074 (E_RNA) where: Base-Base interactions energy: -425.294 where: short stacking energy: -239.824 Base-Backbone interact. energy: -2.823 local terms energy: -486.112075 where: bonds (distance) C4'-P energy: -152.574 bonds (distance) P-C4' energy: -133.219 flat angles C4'-P-C4' energy: -139.925 flat angles P-C4'-P energy: -62.175 tors. eta vs tors. theta energy: 1.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -678.706001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.706001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.706001 (E_RNA) where: Base-Base interactions energy: -301.062 where: short stacking energy: -199.126 Base-Backbone interact. energy: 0.773 local terms energy: -378.417329 where: bonds (distance) C4'-P energy: -123.227 bonds (distance) P-C4' energy: -141.755 flat angles C4'-P-C4' energy: -91.281 flat angles P-C4'-P energy: -44.075 tors. eta vs tors. theta energy: 21.919 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: 10, replica: 9 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -590.485927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.485927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.485927 (E_RNA) where: Base-Base interactions energy: -196.467 where: short stacking energy: -180.944 Base-Backbone interact. energy: 4.660 local terms energy: -398.679069 where: bonds (distance) C4'-P energy: -134.964 bonds (distance) P-C4' energy: -148.610 flat angles C4'-P-C4' energy: -101.145 flat angles P-C4'-P energy: -53.573 tors. eta vs tors. theta energy: 39.613 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: 1, replica: 4 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -2374.608455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.608455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.608455 (E_RNA) where: Base-Base interactions energy: -1578.414 where: short stacking energy: -708.039 Base-Backbone interact. energy: 0.959 local terms energy: -797.153064 where: bonds (distance) C4'-P energy: -163.524 bonds (distance) P-C4' energy: -177.985 flat angles C4'-P-C4' energy: -167.639 flat angles P-C4'-P energy: -100.501 tors. eta vs tors. theta energy: -187.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -2233.488010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.488010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.488010 (E_RNA) where: Base-Base interactions energy: -1500.425 where: short stacking energy: -646.781 Base-Backbone interact. energy: -2.626 local terms energy: -730.436593 where: bonds (distance) C4'-P energy: -150.818 bonds (distance) P-C4' energy: -147.964 flat angles C4'-P-C4' energy: -165.199 flat angles P-C4'-P energy: -107.821 tors. eta vs tors. theta energy: -158.635 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: 8 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -2081.182450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.182450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.182450 (E_RNA) where: Base-Base interactions energy: -1359.894 where: short stacking energy: -620.674 Base-Backbone interact. energy: -3.649 local terms energy: -717.640183 where: bonds (distance) C4'-P energy: -159.949 bonds (distance) P-C4' energy: -144.758 flat angles C4'-P-C4' energy: -161.911 flat angles P-C4'-P energy: -101.232 tors. eta vs tors. theta energy: -149.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -2096.915659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.915659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.915659 (E_RNA) where: Base-Base interactions energy: -1387.842 where: short stacking energy: -637.243 Base-Backbone interact. energy: -0.733 local terms energy: -708.339989 where: bonds (distance) C4'-P energy: -138.560 bonds (distance) P-C4' energy: -146.789 flat angles C4'-P-C4' energy: -169.262 flat angles P-C4'-P energy: -90.340 tors. eta vs tors. theta energy: -163.389 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: 2 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1831.180868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.180868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.180868 (E_RNA) where: Base-Base interactions energy: -1171.177 where: short stacking energy: -563.893 Base-Backbone interact. energy: -2.213 local terms energy: -657.791751 where: bonds (distance) C4'-P energy: -152.527 bonds (distance) P-C4' energy: -132.596 flat angles C4'-P-C4' energy: -147.842 flat angles P-C4'-P energy: -84.614 tors. eta vs tors. theta energy: -140.212 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: 3 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1626.250443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.250443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.250443 (E_RNA) where: Base-Base interactions energy: -988.373 where: short stacking energy: -468.046 Base-Backbone interact. energy: -0.336 local terms energy: -637.541612 where: bonds (distance) C4'-P energy: -148.726 bonds (distance) P-C4' energy: -145.338 flat angles C4'-P-C4' energy: -137.705 flat angles P-C4'-P energy: -90.114 tors. eta vs tors. theta energy: -115.658 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: 6 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1384.517912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.517912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.517912 (E_RNA) where: Base-Base interactions energy: -826.823 where: short stacking energy: -402.017 Base-Backbone interact. energy: -2.276 local terms energy: -555.419723 where: bonds (distance) C4'-P energy: -128.001 bonds (distance) P-C4' energy: -147.052 flat angles C4'-P-C4' energy: -120.246 flat angles P-C4'-P energy: -83.159 tors. eta vs tors. theta energy: -76.962 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: 5 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -877.561777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.561777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.561777 (E_RNA) where: Base-Base interactions energy: -412.188 where: short stacking energy: -262.549 Base-Backbone interact. energy: 2.685 local terms energy: -468.059077 where: bonds (distance) C4'-P energy: -122.112 bonds (distance) P-C4' energy: -138.412 flat angles C4'-P-C4' energy: -112.165 flat angles P-C4'-P energy: -79.862 tors. eta vs tors. theta energy: -15.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -726.536074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.536074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.536074 (E_RNA) where: Base-Base interactions energy: -309.362 where: short stacking energy: -210.114 Base-Backbone interact. energy: 0.086 local terms energy: -417.259854 where: bonds (distance) C4'-P energy: -119.534 bonds (distance) P-C4' energy: -134.532 flat angles C4'-P-C4' energy: -121.071 flat angles P-C4'-P energy: -59.168 tors. eta vs tors. theta energy: 17.044 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: 10, replica: 9 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -601.197170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.197170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.197170 (E_RNA) where: Base-Base interactions energy: -218.560 where: short stacking energy: -163.682 Base-Backbone interact. energy: -0.743 local terms energy: -381.894372 where: bonds (distance) C4'-P energy: -128.872 bonds (distance) P-C4' energy: -137.570 flat angles C4'-P-C4' energy: -91.765 flat angles P-C4'-P energy: -68.340 tors. eta vs tors. theta energy: 44.653 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: 4 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -2390.029543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.029543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.029543 (E_RNA) where: Base-Base interactions energy: -1589.135 where: short stacking energy: -690.062 Base-Backbone interact. energy: -0.891 local terms energy: -800.003829 where: bonds (distance) C4'-P energy: -152.153 bonds (distance) P-C4' energy: -177.195 flat angles C4'-P-C4' energy: -172.948 flat angles P-C4'-P energy: -117.239 tors. eta vs tors. theta energy: -180.469 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: 2, replica: 10 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -2255.398091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.398091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.398091 (E_RNA) where: Base-Base interactions energy: -1492.948 where: short stacking energy: -642.438 Base-Backbone interact. energy: -2.573 local terms energy: -759.877047 where: bonds (distance) C4'-P energy: -155.865 bonds (distance) P-C4' energy: -156.720 flat angles C4'-P-C4' energy: -164.424 flat angles P-C4'-P energy: -117.493 tors. eta vs tors. theta energy: -165.375 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: 8 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -2088.676469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.676469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.676469 (E_RNA) where: Base-Base interactions energy: -1335.864 where: short stacking energy: -614.166 Base-Backbone interact. energy: -2.766 local terms energy: -750.047208 where: bonds (distance) C4'-P energy: -154.437 bonds (distance) P-C4' energy: -139.812 flat angles C4'-P-C4' energy: -189.668 flat angles P-C4'-P energy: -104.170 tors. eta vs tors. theta energy: -161.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -2108.667348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.667348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.667348 (E_RNA) where: Base-Base interactions energy: -1377.448 where: short stacking energy: -595.747 Base-Backbone interact. energy: -0.812 local terms energy: -730.407443 where: bonds (distance) C4'-P energy: -143.234 bonds (distance) P-C4' energy: -170.667 flat angles C4'-P-C4' energy: -174.750 flat angles P-C4'-P energy: -86.711 tors. eta vs tors. theta energy: -155.045 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: 5, replica: 2 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1864.481928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.481928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.481928 (E_RNA) where: Base-Base interactions energy: -1192.919 where: short stacking energy: -534.974 Base-Backbone interact. energy: 0.711 local terms energy: -672.273516 where: bonds (distance) C4'-P energy: -131.405 bonds (distance) P-C4' energy: -149.518 flat angles C4'-P-C4' energy: -164.667 flat angles P-C4'-P energy: -92.921 tors. eta vs tors. theta energy: -133.762 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: 6, replica: 3 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1637.371086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.371086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.371086 (E_RNA) where: Base-Base interactions energy: -1022.830 where: short stacking energy: -493.489 Base-Backbone interact. energy: -3.348 local terms energy: -611.193306 where: bonds (distance) C4'-P energy: -132.884 bonds (distance) P-C4' energy: -150.672 flat angles C4'-P-C4' energy: -142.106 flat angles P-C4'-P energy: -82.596 tors. eta vs tors. theta energy: -102.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1382.258539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.258539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.258539 (E_RNA) where: Base-Base interactions energy: -788.131 where: short stacking energy: -397.141 Base-Backbone interact. energy: -1.582 local terms energy: -592.545793 where: bonds (distance) C4'-P energy: -124.889 bonds (distance) P-C4' energy: -148.788 flat angles C4'-P-C4' energy: -140.972 flat angles P-C4'-P energy: -96.045 tors. eta vs tors. theta energy: -81.852 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: 5 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -867.027129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.027129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.027129 (E_RNA) where: Base-Base interactions energy: -426.071 where: short stacking energy: -260.377 Base-Backbone interact. energy: -0.483 local terms energy: -440.473166 where: bonds (distance) C4'-P energy: -127.639 bonds (distance) P-C4' energy: -124.131 flat angles C4'-P-C4' energy: -107.409 flat angles P-C4'-P energy: -80.499 tors. eta vs tors. theta energy: -0.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -766.590728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.590728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.590728 (E_RNA) where: Base-Base interactions energy: -320.442 where: short stacking energy: -200.833 Base-Backbone interact. energy: 3.630 local terms energy: -449.779060 where: bonds (distance) C4'-P energy: -134.382 bonds (distance) P-C4' energy: -152.944 flat angles C4'-P-C4' energy: -109.481 flat angles P-C4'-P energy: -64.595 tors. eta vs tors. theta energy: 11.623 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: 10, replica: 9 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -591.897638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.897638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.897638 (E_RNA) where: Base-Base interactions energy: -227.366 where: short stacking energy: -199.719 Base-Backbone interact. energy: 5.198 local terms energy: -369.730234 where: bonds (distance) C4'-P energy: -101.028 bonds (distance) P-C4' energy: -127.945 flat angles C4'-P-C4' energy: -117.093 flat angles P-C4'-P energy: -43.729 tors. eta vs tors. theta energy: 20.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -2386.395378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.395378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.395378 (E_RNA) where: Base-Base interactions energy: -1599.959 where: short stacking energy: -681.103 Base-Backbone interact. energy: -2.823 local terms energy: -783.613736 where: bonds (distance) C4'-P energy: -153.344 bonds (distance) P-C4' energy: -149.119 flat angles C4'-P-C4' energy: -167.857 flat angles P-C4'-P energy: -115.328 tors. eta vs tors. theta energy: -197.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -2285.438708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.438708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.438708 (E_RNA) where: Base-Base interactions energy: -1509.394 where: short stacking energy: -645.323 Base-Backbone interact. energy: -5.899 local terms energy: -770.145153 where: bonds (distance) C4'-P energy: -154.140 bonds (distance) P-C4' energy: -169.561 flat angles C4'-P-C4' energy: -183.188 flat angles P-C4'-P energy: -97.546 tors. eta vs tors. theta energy: -165.710 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: 3, replica: 8 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -2148.612674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.612674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.612674 (E_RNA) where: Base-Base interactions energy: -1388.490 where: short stacking energy: -660.326 Base-Backbone interact. energy: -1.920 local terms energy: -758.202620 where: bonds (distance) C4'-P energy: -135.332 bonds (distance) P-C4' energy: -171.952 flat angles C4'-P-C4' energy: -166.978 flat angles P-C4'-P energy: -106.342 tors. eta vs tors. theta energy: -177.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -2119.450298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.450298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.450298 (E_RNA) where: Base-Base interactions energy: -1396.814 where: short stacking energy: -620.498 Base-Backbone interact. energy: -5.427 local terms energy: -717.209402 where: bonds (distance) C4'-P energy: -155.620 bonds (distance) P-C4' energy: -158.035 flat angles C4'-P-C4' energy: -151.452 flat angles P-C4'-P energy: -97.225 tors. eta vs tors. theta energy: -154.877 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: 5, replica: 2 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1885.840134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.840134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.840134 (E_RNA) where: Base-Base interactions energy: -1207.234 where: short stacking energy: -579.210 Base-Backbone interact. energy: 4.724 local terms energy: -683.329798 where: bonds (distance) C4'-P energy: -132.898 bonds (distance) P-C4' energy: -152.297 flat angles C4'-P-C4' energy: -149.424 flat angles P-C4'-P energy: -84.584 tors. eta vs tors. theta energy: -164.127 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: 3 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1584.244151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.244151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.244151 (E_RNA) where: Base-Base interactions energy: -954.899 where: short stacking energy: -473.549 Base-Backbone interact. energy: -1.547 local terms energy: -627.798108 where: bonds (distance) C4'-P energy: -149.847 bonds (distance) P-C4' energy: -142.442 flat angles C4'-P-C4' energy: -139.268 flat angles P-C4'-P energy: -92.581 tors. eta vs tors. theta energy: -103.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1349.324710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.324710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.324710 (E_RNA) where: Base-Base interactions energy: -771.452 where: short stacking energy: -379.696 Base-Backbone interact. energy: -0.982 local terms energy: -576.890630 where: bonds (distance) C4'-P energy: -131.143 bonds (distance) P-C4' energy: -145.489 flat angles C4'-P-C4' energy: -156.240 flat angles P-C4'-P energy: -92.543 tors. eta vs tors. theta energy: -51.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -845.084700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.084700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.084700 (E_RNA) where: Base-Base interactions energy: -399.721 where: short stacking energy: -238.953 Base-Backbone interact. energy: 8.331 local terms energy: -453.694452 where: bonds (distance) C4'-P energy: -128.058 bonds (distance) P-C4' energy: -137.818 flat angles C4'-P-C4' energy: -123.343 flat angles P-C4'-P energy: -65.607 tors. eta vs tors. theta energy: 1.131 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: 9, replica: 7 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -823.304367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.304367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.304367 (E_RNA) where: Base-Base interactions energy: -366.682 where: short stacking energy: -220.093 Base-Backbone interact. energy: 5.708 local terms energy: -462.330031 where: bonds (distance) C4'-P energy: -127.009 bonds (distance) P-C4' energy: -148.097 flat angles C4'-P-C4' energy: -139.591 flat angles P-C4'-P energy: -80.819 tors. eta vs tors. theta energy: 33.186 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: 10, replica: 9 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -632.074228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.074228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.074228 (E_RNA) where: Base-Base interactions energy: -218.733 where: short stacking energy: -183.010 Base-Backbone interact. energy: -0.537 local terms energy: -412.803806 where: bonds (distance) C4'-P energy: -142.695 bonds (distance) P-C4' energy: -129.863 flat angles C4'-P-C4' energy: -124.919 flat angles P-C4'-P energy: -49.503 tors. eta vs tors. theta energy: 34.176 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: 1, replica: 4 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -2375.204536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.204536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.204536 (E_RNA) where: Base-Base interactions energy: -1609.458 where: short stacking energy: -687.316 Base-Backbone interact. energy: -0.549 local terms energy: -765.196692 where: bonds (distance) C4'-P energy: -146.953 bonds (distance) P-C4' energy: -138.243 flat angles C4'-P-C4' energy: -177.994 flat angles P-C4'-P energy: -112.941 tors. eta vs tors. theta energy: -189.066 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: 2, replica: 10 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -2297.431489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.431489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.431489 (E_RNA) where: Base-Base interactions energy: -1548.326 where: short stacking energy: -663.161 Base-Backbone interact. energy: -1.975 local terms energy: -747.130717 where: bonds (distance) C4'-P energy: -133.481 bonds (distance) P-C4' energy: -164.097 flat angles C4'-P-C4' energy: -168.230 flat angles P-C4'-P energy: -104.330 tors. eta vs tors. theta energy: -176.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -2162.671592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.671592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.671592 (E_RNA) where: Base-Base interactions energy: -1427.924 where: short stacking energy: -648.488 Base-Backbone interact. energy: 3.627 local terms energy: -738.374786 where: bonds (distance) C4'-P energy: -132.412 bonds (distance) P-C4' energy: -166.109 flat angles C4'-P-C4' energy: -169.728 flat angles P-C4'-P energy: -92.536 tors. eta vs tors. theta energy: -177.588 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: 4, replica: 8 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -2041.689537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.689537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.689537 (E_RNA) where: Base-Base interactions energy: -1343.554 where: short stacking energy: -605.207 Base-Backbone interact. energy: -3.233 local terms energy: -694.902944 where: bonds (distance) C4'-P energy: -145.585 bonds (distance) P-C4' energy: -145.958 flat angles C4'-P-C4' energy: -156.538 flat angles P-C4'-P energy: -96.640 tors. eta vs tors. theta energy: -150.182 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: 2 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1881.990042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.990042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.990042 (E_RNA) where: Base-Base interactions energy: -1204.828 where: short stacking energy: -573.946 Base-Backbone interact. energy: -4.024 local terms energy: -673.137323 where: bonds (distance) C4'-P energy: -136.957 bonds (distance) P-C4' energy: -154.268 flat angles C4'-P-C4' energy: -137.329 flat angles P-C4'-P energy: -92.209 tors. eta vs tors. theta energy: -152.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1579.542457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.542457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.542457 (E_RNA) where: Base-Base interactions energy: -1003.236 where: short stacking energy: -439.292 Base-Backbone interact. energy: -4.823 local terms energy: -571.483609 where: bonds (distance) C4'-P energy: -143.557 bonds (distance) P-C4' energy: -120.200 flat angles C4'-P-C4' energy: -144.203 flat angles P-C4'-P energy: -72.821 tors. eta vs tors. theta energy: -90.703 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: 7, replica: 6 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1283.675003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.675003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.675003 (E_RNA) where: Base-Base interactions energy: -716.156 where: short stacking energy: -345.944 Base-Backbone interact. energy: -4.016 local terms energy: -563.503006 where: bonds (distance) C4'-P energy: -148.114 bonds (distance) P-C4' energy: -127.346 flat angles C4'-P-C4' energy: -138.538 flat angles P-C4'-P energy: -90.659 tors. eta vs tors. theta energy: -58.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -872.338229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.338229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.338229 (E_RNA) where: Base-Base interactions energy: -403.020 where: short stacking energy: -244.925 Base-Backbone interact. energy: -5.125 local terms energy: -464.193594 where: bonds (distance) C4'-P energy: -133.771 bonds (distance) P-C4' energy: -161.158 flat angles C4'-P-C4' energy: -115.384 flat angles P-C4'-P energy: -64.841 tors. eta vs tors. theta energy: 10.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -869.179289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.179289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.179289 (E_RNA) where: Base-Base interactions energy: -410.033 where: short stacking energy: -257.417 Base-Backbone interact. energy: 1.684 local terms energy: -460.830066 where: bonds (distance) C4'-P energy: -114.991 bonds (distance) P-C4' energy: -141.047 flat angles C4'-P-C4' energy: -125.780 flat angles P-C4'-P energy: -72.179 tors. eta vs tors. theta energy: -6.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -604.163579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.163579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.163579 (E_RNA) where: Base-Base interactions energy: -211.026 where: short stacking energy: -183.298 Base-Backbone interact. energy: 7.955 local terms energy: -401.092472 where: bonds (distance) C4'-P energy: -115.404 bonds (distance) P-C4' energy: -139.323 flat angles C4'-P-C4' energy: -103.491 flat angles P-C4'-P energy: -72.047 tors. eta vs tors. theta energy: 29.172 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: 4 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -2372.917818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.917818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.917818 (E_RNA) where: Base-Base interactions energy: -1592.066 where: short stacking energy: -689.690 Base-Backbone interact. energy: 0.003 local terms energy: -780.855197 where: bonds (distance) C4'-P energy: -149.371 bonds (distance) P-C4' energy: -166.460 flat angles C4'-P-C4' energy: -178.007 flat angles P-C4'-P energy: -106.134 tors. eta vs tors. theta energy: -180.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -2275.748088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.748088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.748088 (E_RNA) where: Base-Base interactions energy: -1536.702 where: short stacking energy: -649.874 Base-Backbone interact. energy: 3.542 local terms energy: -742.587879 where: bonds (distance) C4'-P energy: -142.436 bonds (distance) P-C4' energy: -160.584 flat angles C4'-P-C4' energy: -176.365 flat angles P-C4'-P energy: -103.873 tors. eta vs tors. theta energy: -159.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -2165.446650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.446650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.446650 (E_RNA) where: Base-Base interactions energy: -1417.857 where: short stacking energy: -623.556 Base-Backbone interact. energy: -0.989 local terms energy: -746.600704 where: bonds (distance) C4'-P energy: -142.101 bonds (distance) P-C4' energy: -169.354 flat angles C4'-P-C4' energy: -163.382 flat angles P-C4'-P energy: -99.986 tors. eta vs tors. theta energy: -171.777 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: 8 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -2033.828376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.828376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.828376 (E_RNA) where: Base-Base interactions energy: -1346.040 where: short stacking energy: -584.292 Base-Backbone interact. energy: -6.375 local terms energy: -681.413731 where: bonds (distance) C4'-P energy: -143.437 bonds (distance) P-C4' energy: -140.103 flat angles C4'-P-C4' energy: -163.219 flat angles P-C4'-P energy: -89.032 tors. eta vs tors. theta energy: -145.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1917.611277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.611277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.611277 (E_RNA) where: Base-Base interactions energy: -1219.924 where: short stacking energy: -596.273 Base-Backbone interact. energy: -3.169 local terms energy: -694.518728 where: bonds (distance) C4'-P energy: -141.921 bonds (distance) P-C4' energy: -143.148 flat angles C4'-P-C4' energy: -166.296 flat angles P-C4'-P energy: -94.725 tors. eta vs tors. theta energy: -148.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1602.060505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.060505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.060505 (E_RNA) where: Base-Base interactions energy: -992.427 where: short stacking energy: -486.069 Base-Backbone interact. energy: 1.721 local terms energy: -611.354014 where: bonds (distance) C4'-P energy: -137.537 bonds (distance) P-C4' energy: -149.684 flat angles C4'-P-C4' energy: -127.215 flat angles P-C4'-P energy: -93.138 tors. eta vs tors. theta energy: -103.779 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: 6 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1359.313026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.313026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.313026 (E_RNA) where: Base-Base interactions energy: -846.683 where: short stacking energy: -367.003 Base-Backbone interact. energy: 2.017 local terms energy: -514.646984 where: bonds (distance) C4'-P energy: -126.542 bonds (distance) P-C4' energy: -121.178 flat angles C4'-P-C4' energy: -146.953 flat angles P-C4'-P energy: -72.567 tors. eta vs tors. theta energy: -47.408 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: 5 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -893.659662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.659662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.659662 (E_RNA) where: Base-Base interactions energy: -397.042 where: short stacking energy: -257.821 Base-Backbone interact. energy: -0.003 local terms energy: -496.614870 where: bonds (distance) C4'-P energy: -117.771 bonds (distance) P-C4' energy: -146.919 flat angles C4'-P-C4' energy: -132.589 flat angles P-C4'-P energy: -83.513 tors. eta vs tors. theta energy: -15.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -816.321138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.321138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.321138 (E_RNA) where: Base-Base interactions energy: -379.369 where: short stacking energy: -232.516 Base-Backbone interact. energy: -0.386 local terms energy: -436.566807 where: bonds (distance) C4'-P energy: -113.864 bonds (distance) P-C4' energy: -126.429 flat angles C4'-P-C4' energy: -111.466 flat angles P-C4'-P energy: -79.795 tors. eta vs tors. theta energy: -5.014 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: 9 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -636.786892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.786892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.786892 (E_RNA) where: Base-Base interactions energy: -251.480 where: short stacking energy: -164.966 Base-Backbone interact. energy: 1.621 local terms energy: -386.927336 where: bonds (distance) C4'-P energy: -121.052 bonds (distance) P-C4' energy: -128.864 flat angles C4'-P-C4' energy: -111.750 flat angles P-C4'-P energy: -58.684 tors. eta vs tors. theta energy: 33.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -2356.624777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.624777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.624777 (E_RNA) where: Base-Base interactions energy: -1552.902 where: short stacking energy: -656.933 Base-Backbone interact. energy: -1.555 local terms energy: -802.167236 where: bonds (distance) C4'-P energy: -158.526 bonds (distance) P-C4' energy: -168.631 flat angles C4'-P-C4' energy: -168.544 flat angles P-C4'-P energy: -118.713 tors. eta vs tors. theta energy: -187.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -2272.106995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.106995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.106995 (E_RNA) where: Base-Base interactions energy: -1523.541 where: short stacking energy: -658.644 Base-Backbone interact. energy: -1.774 local terms energy: -746.792124 where: bonds (distance) C4'-P energy: -137.370 bonds (distance) P-C4' energy: -161.351 flat angles C4'-P-C4' energy: -170.050 flat angles P-C4'-P energy: -106.770 tors. eta vs tors. theta energy: -171.252 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: 1 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -2285.320049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.320049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.320049 (E_RNA) where: Base-Base interactions energy: -1545.993 where: short stacking energy: -665.305 Base-Backbone interact. energy: -0.545 local terms energy: -738.782401 where: bonds (distance) C4'-P energy: -149.724 bonds (distance) P-C4' energy: -157.164 flat angles C4'-P-C4' energy: -159.701 flat angles P-C4'-P energy: -104.154 tors. eta vs tors. theta energy: -168.038 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: 8 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -2064.661404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.661404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.661404 (E_RNA) where: Base-Base interactions energy: -1346.106 where: short stacking energy: -584.477 Base-Backbone interact. energy: -3.647 local terms energy: -714.908541 where: bonds (distance) C4'-P energy: -158.498 bonds (distance) P-C4' energy: -154.802 flat angles C4'-P-C4' energy: -161.030 flat angles P-C4'-P energy: -97.369 tors. eta vs tors. theta energy: -143.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1938.201729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.201729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.201729 (E_RNA) where: Base-Base interactions energy: -1211.729 where: short stacking energy: -592.389 Base-Backbone interact. energy: 0.384 local terms energy: -726.856681 where: bonds (distance) C4'-P energy: -151.175 bonds (distance) P-C4' energy: -147.589 flat angles C4'-P-C4' energy: -165.567 flat angles P-C4'-P energy: -100.800 tors. eta vs tors. theta energy: -161.726 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: 3 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1614.705313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.705313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.705313 (E_RNA) where: Base-Base interactions energy: -996.983 where: short stacking energy: -484.670 Base-Backbone interact. energy: -0.872 local terms energy: -616.849593 where: bonds (distance) C4'-P energy: -148.240 bonds (distance) P-C4' energy: -142.404 flat angles C4'-P-C4' energy: -155.644 flat angles P-C4'-P energy: -63.901 tors. eta vs tors. theta energy: -106.661 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: 54 Temperature: 1.200000 Total energy: -1376.295958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.295958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.295958 (E_RNA) where: Base-Base interactions energy: -816.344 where: short stacking energy: -378.953 Base-Backbone interact. energy: 1.157 local terms energy: -561.109175 where: bonds (distance) C4'-P energy: -141.731 bonds (distance) P-C4' energy: -140.057 flat angles C4'-P-C4' energy: -138.754 flat angles P-C4'-P energy: -86.675 tors. eta vs tors. theta energy: -53.892 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: 8, replica: 5 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -861.717754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.717754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.717754 (E_RNA) where: Base-Base interactions energy: -391.951 where: short stacking energy: -239.153 Base-Backbone interact. energy: 1.691 local terms energy: -471.457410 where: bonds (distance) C4'-P energy: -133.843 bonds (distance) P-C4' energy: -147.514 flat angles C4'-P-C4' energy: -112.356 flat angles P-C4'-P energy: -70.329 tors. eta vs tors. theta energy: -7.415 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: 9, replica: 7 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -797.537038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.537038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.537038 (E_RNA) where: Base-Base interactions energy: -343.043 where: short stacking energy: -226.881 Base-Backbone interact. energy: -0.427 local terms energy: -454.067550 where: bonds (distance) C4'-P energy: -142.336 bonds (distance) P-C4' energy: -141.002 flat angles C4'-P-C4' energy: -108.683 flat angles P-C4'-P energy: -73.092 tors. eta vs tors. theta energy: 11.045 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: 10, replica: 9 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -640.014169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.014169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.014169 (E_RNA) where: Base-Base interactions energy: -280.188 where: short stacking energy: -209.210 Base-Backbone interact. energy: 0.765 local terms energy: -360.590636 where: bonds (distance) C4'-P energy: -127.948 bonds (distance) P-C4' energy: -118.646 flat angles C4'-P-C4' energy: -93.179 flat angles P-C4'-P energy: -45.418 tors. eta vs tors. theta energy: 24.600 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: 1, replica: 4 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -2378.479082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.479082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.479082 (E_RNA) where: Base-Base interactions energy: -1605.693 where: short stacking energy: -688.075 Base-Backbone interact. energy: -3.368 local terms energy: -769.417944 where: bonds (distance) C4'-P energy: -159.264 bonds (distance) P-C4' energy: -146.926 flat angles C4'-P-C4' energy: -176.049 flat angles P-C4'-P energy: -111.711 tors. eta vs tors. theta energy: -175.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -2339.686998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.686998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.686998 (E_RNA) where: Base-Base interactions energy: -1593.887 where: short stacking energy: -683.341 Base-Backbone interact. energy: -1.984 local terms energy: -743.815413 where: bonds (distance) C4'-P energy: -129.738 bonds (distance) P-C4' energy: -170.045 flat angles C4'-P-C4' energy: -162.208 flat angles P-C4'-P energy: -102.751 tors. eta vs tors. theta energy: -179.074 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: 10 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -2138.099926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.099926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.099926 (E_RNA) where: Base-Base interactions energy: -1396.904 where: short stacking energy: -630.459 Base-Backbone interact. energy: -0.392 local terms energy: -740.803966 where: bonds (distance) C4'-P energy: -166.066 bonds (distance) P-C4' energy: -154.032 flat angles C4'-P-C4' energy: -151.020 flat angles P-C4'-P energy: -108.814 tors. eta vs tors. theta energy: -160.872 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: 4, replica: 8 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -2134.998080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.998080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.998080 (E_RNA) where: Base-Base interactions energy: -1404.016 where: short stacking energy: -642.724 Base-Backbone interact. energy: -3.790 local terms energy: -727.191296 where: bonds (distance) C4'-P energy: -150.356 bonds (distance) P-C4' energy: -160.269 flat angles C4'-P-C4' energy: -169.589 flat angles P-C4'-P energy: -84.926 tors. eta vs tors. theta energy: -162.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1938.597013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.597013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.597013 (E_RNA) where: Base-Base interactions energy: -1219.854 where: short stacking energy: -583.288 Base-Backbone interact. energy: -1.196 local terms energy: -717.546705 where: bonds (distance) C4'-P energy: -160.636 bonds (distance) P-C4' energy: -130.807 flat angles C4'-P-C4' energy: -151.922 flat angles P-C4'-P energy: -118.752 tors. eta vs tors. theta energy: -155.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1655.695797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.695797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.695797 (E_RNA) where: Base-Base interactions energy: -1032.697 where: short stacking energy: -505.930 Base-Backbone interact. energy: -1.501 local terms energy: -621.497874 where: bonds (distance) C4'-P energy: -130.293 bonds (distance) P-C4' energy: -133.449 flat angles C4'-P-C4' energy: -139.423 flat angles P-C4'-P energy: -100.644 tors. eta vs tors. theta energy: -117.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1499.413407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.413407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.413407 (E_RNA) where: Base-Base interactions energy: -929.366 where: short stacking energy: -470.223 Base-Backbone interact. energy: 2.232 local terms energy: -572.279003 where: bonds (distance) C4'-P energy: -118.676 bonds (distance) P-C4' energy: -145.667 flat angles C4'-P-C4' energy: -138.891 flat angles P-C4'-P energy: -79.481 tors. eta vs tors. theta energy: -89.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -930.579134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.579134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.579134 (E_RNA) where: Base-Base interactions energy: -450.930 where: short stacking energy: -272.536 Base-Backbone interact. energy: -0.194 local terms energy: -479.455413 where: bonds (distance) C4'-P energy: -141.237 bonds (distance) P-C4' energy: -134.469 flat angles C4'-P-C4' energy: -119.050 flat angles P-C4'-P energy: -82.703 tors. eta vs tors. theta energy: -1.995 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: 9, replica: 5 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -812.968138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.968138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.968138 (E_RNA) where: Base-Base interactions energy: -397.046 where: short stacking energy: -232.108 Base-Backbone interact. energy: 5.327 local terms energy: -421.248758 where: bonds (distance) C4'-P energy: -116.559 bonds (distance) P-C4' energy: -150.097 flat angles C4'-P-C4' energy: -107.129 flat angles P-C4'-P energy: -59.404 tors. eta vs tors. theta energy: 11.941 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: 10, replica: 9 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -633.099947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.099947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.099947 (E_RNA) where: Base-Base interactions energy: -223.016 where: short stacking energy: -156.588 Base-Backbone interact. energy: 3.035 local terms energy: -413.118772 where: bonds (distance) C4'-P energy: -129.509 bonds (distance) P-C4' energy: -140.518 flat angles C4'-P-C4' energy: -95.540 flat angles P-C4'-P energy: -64.406 tors. eta vs tors. theta energy: 16.854 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: 1, replica: 4 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -2379.674886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.674886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.674886 (E_RNA) where: Base-Base interactions energy: -1581.722 where: short stacking energy: -662.302 Base-Backbone interact. energy: -2.608 local terms energy: -795.344954 where: bonds (distance) C4'-P energy: -172.887 bonds (distance) P-C4' energy: -150.511 flat angles C4'-P-C4' energy: -171.083 flat angles P-C4'-P energy: -126.555 tors. eta vs tors. theta energy: -174.309 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: 1 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -2350.855760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.855760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.855760 (E_RNA) where: Base-Base interactions energy: -1563.529 where: short stacking energy: -665.171 Base-Backbone interact. energy: -4.464 local terms energy: -782.862887 where: bonds (distance) C4'-P energy: -157.505 bonds (distance) P-C4' energy: -177.042 flat angles C4'-P-C4' energy: -166.275 flat angles P-C4'-P energy: -95.587 tors. eta vs tors. theta energy: -186.455 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: 3, replica: 10 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -2247.090562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.090562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.090562 (E_RNA) where: Base-Base interactions energy: -1505.391 where: short stacking energy: -667.606 Base-Backbone interact. energy: -2.791 local terms energy: -738.908178 where: bonds (distance) C4'-P energy: -160.806 bonds (distance) P-C4' energy: -155.546 flat angles C4'-P-C4' energy: -160.170 flat angles P-C4'-P energy: -94.275 tors. eta vs tors. theta energy: -168.112 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: 8 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -2064.518949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.518949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.518949 (E_RNA) where: Base-Base interactions energy: -1378.296 where: short stacking energy: -587.514 Base-Backbone interact. energy: -2.674 local terms energy: -683.549158 where: bonds (distance) C4'-P energy: -141.626 bonds (distance) P-C4' energy: -153.938 flat angles C4'-P-C4' energy: -166.308 flat angles P-C4'-P energy: -89.789 tors. eta vs tors. theta energy: -131.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1832.952978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.952978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.952978 (E_RNA) where: Base-Base interactions energy: -1160.288 where: short stacking energy: -540.737 Base-Backbone interact. energy: -0.288 local terms energy: -672.377709 where: bonds (distance) C4'-P energy: -133.637 bonds (distance) P-C4' energy: -148.953 flat angles C4'-P-C4' energy: -167.364 flat angles P-C4'-P energy: -90.401 tors. eta vs tors. theta energy: -132.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1681.256129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.256129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.256129 (E_RNA) where: Base-Base interactions energy: -1020.861 where: short stacking energy: -466.636 Base-Backbone interact. energy: 1.251 local terms energy: -661.646287 where: bonds (distance) C4'-P energy: -144.551 bonds (distance) P-C4' energy: -147.814 flat angles C4'-P-C4' energy: -138.498 flat angles P-C4'-P energy: -108.185 tors. eta vs tors. theta energy: -122.598 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: 6 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1509.134067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.134067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.134067 (E_RNA) where: Base-Base interactions energy: -929.929 where: short stacking energy: -447.769 Base-Backbone interact. energy: -2.940 local terms energy: -576.265250 where: bonds (distance) C4'-P energy: -125.864 bonds (distance) P-C4' energy: -129.023 flat angles C4'-P-C4' energy: -147.097 flat angles P-C4'-P energy: -83.566 tors. eta vs tors. theta energy: -90.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -950.324212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.324212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.324212 (E_RNA) where: Base-Base interactions energy: -456.547 where: short stacking energy: -249.609 Base-Backbone interact. energy: 0.844 local terms energy: -494.620705 where: bonds (distance) C4'-P energy: -142.078 bonds (distance) P-C4' energy: -146.540 flat angles C4'-P-C4' energy: -151.370 flat angles P-C4'-P energy: -70.272 tors. eta vs tors. theta energy: 15.640 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: 9, replica: 5 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -797.875742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.875742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.875742 (E_RNA) where: Base-Base interactions energy: -343.056 where: short stacking energy: -206.105 Base-Backbone interact. energy: -1.226 local terms energy: -453.593229 where: bonds (distance) C4'-P energy: -128.300 bonds (distance) P-C4' energy: -137.105 flat angles C4'-P-C4' energy: -130.789 flat angles P-C4'-P energy: -67.604 tors. eta vs tors. theta energy: 10.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -611.775705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.775705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.775705 (E_RNA) where: Base-Base interactions energy: -218.507 where: short stacking energy: -163.418 Base-Backbone interact. energy: -1.291 local terms energy: -391.978180 where: bonds (distance) C4'-P energy: -139.144 bonds (distance) P-C4' energy: -147.483 flat angles C4'-P-C4' energy: -84.815 flat angles P-C4'-P energy: -54.805 tors. eta vs tors. theta energy: 34.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -2371.858743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.858743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.858743 (E_RNA) where: Base-Base interactions energy: -1588.837 where: short stacking energy: -666.077 Base-Backbone interact. energy: -4.496 local terms energy: -778.525630 where: bonds (distance) C4'-P energy: -160.549 bonds (distance) P-C4' energy: -160.897 flat angles C4'-P-C4' energy: -170.425 flat angles P-C4'-P energy: -103.761 tors. eta vs tors. theta energy: -182.893 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: 1 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -2378.046629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.046629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.046629 (E_RNA) where: Base-Base interactions energy: -1592.039 where: short stacking energy: -713.607 Base-Backbone interact. energy: -5.086 local terms energy: -780.921031 where: bonds (distance) C4'-P energy: -146.341 bonds (distance) P-C4' energy: -161.206 flat angles C4'-P-C4' energy: -167.359 flat angles P-C4'-P energy: -101.691 tors. eta vs tors. theta energy: -204.323 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: 3, replica: 10 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -2219.914357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.914357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.914357 (E_RNA) where: Base-Base interactions energy: -1460.984 where: short stacking energy: -645.290 Base-Backbone interact. energy: -4.083 local terms energy: -754.847032 where: bonds (distance) C4'-P energy: -149.172 bonds (distance) P-C4' energy: -169.752 flat angles C4'-P-C4' energy: -157.706 flat angles P-C4'-P energy: -97.110 tors. eta vs tors. theta energy: -181.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -2057.360700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.360700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.360700 (E_RNA) where: Base-Base interactions energy: -1370.218 where: short stacking energy: -596.962 Base-Backbone interact. energy: 0.940 local terms energy: -688.082689 where: bonds (distance) C4'-P energy: -131.784 bonds (distance) P-C4' energy: -139.638 flat angles C4'-P-C4' energy: -168.500 flat angles P-C4'-P energy: -94.296 tors. eta vs tors. theta energy: -153.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1850.222841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.222841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.222841 (E_RNA) where: Base-Base interactions energy: -1167.896 where: short stacking energy: -565.413 Base-Backbone interact. energy: -0.971 local terms energy: -681.356508 where: bonds (distance) C4'-P energy: -149.917 bonds (distance) P-C4' energy: -141.328 flat angles C4'-P-C4' energy: -154.547 flat angles P-C4'-P energy: -95.231 tors. eta vs tors. theta energy: -140.333 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: 6, replica: 3 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1694.512907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.512907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.512907 (E_RNA) where: Base-Base interactions energy: -1044.153 where: short stacking energy: -508.554 Base-Backbone interact. energy: -6.329 local terms energy: -644.030978 where: bonds (distance) C4'-P energy: -142.251 bonds (distance) P-C4' energy: -149.877 flat angles C4'-P-C4' energy: -144.477 flat angles P-C4'-P energy: -77.596 tors. eta vs tors. theta energy: -129.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1454.046393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.046393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.046393 (E_RNA) where: Base-Base interactions energy: -905.857 where: short stacking energy: -400.650 Base-Backbone interact. energy: -1.555 local terms energy: -546.633846 where: bonds (distance) C4'-P energy: -139.265 bonds (distance) P-C4' energy: -135.666 flat angles C4'-P-C4' energy: -127.571 flat angles P-C4'-P energy: -80.169 tors. eta vs tors. theta energy: -63.963 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: 8, replica: 7 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -949.536414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.536414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.536414 (E_RNA) where: Base-Base interactions energy: -474.881 where: short stacking energy: -298.037 Base-Backbone interact. energy: 3.640 local terms energy: -478.295910 where: bonds (distance) C4'-P energy: -127.189 bonds (distance) P-C4' energy: -151.400 flat angles C4'-P-C4' energy: -106.485 flat angles P-C4'-P energy: -78.020 tors. eta vs tors. theta energy: -15.202 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: 5 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -816.886784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.886784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.886784 (E_RNA) where: Base-Base interactions energy: -376.236 where: short stacking energy: -249.262 Base-Backbone interact. energy: 11.246 local terms energy: -451.896694 where: bonds (distance) C4'-P energy: -111.085 bonds (distance) P-C4' energy: -141.390 flat angles C4'-P-C4' energy: -116.211 flat angles P-C4'-P energy: -78.971 tors. eta vs tors. theta energy: -4.240 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: 10, replica: 9 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -589.655777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.655777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.655777 (E_RNA) where: Base-Base interactions energy: -219.205 where: short stacking energy: -172.700 Base-Backbone interact. energy: 11.927 local terms energy: -382.376935 where: bonds (distance) C4'-P energy: -108.238 bonds (distance) P-C4' energy: -146.087 flat angles C4'-P-C4' energy: -99.674 flat angles P-C4'-P energy: -63.318 tors. eta vs tors. theta energy: 34.940 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: 1, replica: 4 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -2423.390308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.390308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.390308 (E_RNA) where: Base-Base interactions energy: -1619.913 where: short stacking energy: -697.778 Base-Backbone interact. energy: -1.650 local terms energy: -801.827695 where: bonds (distance) C4'-P energy: -168.712 bonds (distance) P-C4' energy: -152.139 flat angles C4'-P-C4' energy: -181.466 flat angles P-C4'-P energy: -108.349 tors. eta vs tors. theta energy: -191.162 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: 1 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -2380.586266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.586266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.586266 (E_RNA) where: Base-Base interactions energy: -1586.672 where: short stacking energy: -683.209 Base-Backbone interact. energy: -2.412 local terms energy: -791.502409 where: bonds (distance) C4'-P energy: -163.605 bonds (distance) P-C4' energy: -159.003 flat angles C4'-P-C4' energy: -179.613 flat angles P-C4'-P energy: -99.735 tors. eta vs tors. theta energy: -189.547 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: 58 Temperature: 1.000000 Total energy: -2182.474482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.474482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.474482 (E_RNA) where: Base-Base interactions energy: -1463.991 where: short stacking energy: -645.319 Base-Backbone interact. energy: -2.517 local terms energy: -715.966769 where: bonds (distance) C4'-P energy: -135.268 bonds (distance) P-C4' energy: -165.731 flat angles C4'-P-C4' energy: -169.801 flat angles P-C4'-P energy: -89.310 tors. eta vs tors. theta energy: -155.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -2053.440568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.440568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.440568 (E_RNA) where: Base-Base interactions energy: -1339.052 where: short stacking energy: -613.486 Base-Backbone interact. energy: -3.354 local terms energy: -711.034181 where: bonds (distance) C4'-P energy: -132.647 bonds (distance) P-C4' energy: -147.851 flat angles C4'-P-C4' energy: -174.253 flat angles P-C4'-P energy: -103.603 tors. eta vs tors. theta energy: -152.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1866.246907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.246907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.246907 (E_RNA) where: Base-Base interactions energy: -1204.069 where: short stacking energy: -515.945 Base-Backbone interact. energy: -1.081 local terms energy: -661.097035 where: bonds (distance) C4'-P energy: -153.767 bonds (distance) P-C4' energy: -135.547 flat angles C4'-P-C4' energy: -147.665 flat angles P-C4'-P energy: -98.901 tors. eta vs tors. theta energy: -125.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1699.944758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.944758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.944758 (E_RNA) where: Base-Base interactions energy: -1048.020 where: short stacking energy: -489.204 Base-Backbone interact. energy: 4.890 local terms energy: -656.815132 where: bonds (distance) C4'-P energy: -134.253 bonds (distance) P-C4' energy: -147.729 flat angles C4'-P-C4' energy: -162.155 flat angles P-C4'-P energy: -97.883 tors. eta vs tors. theta energy: -114.795 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: 6 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1442.449556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.449556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.449556 (E_RNA) where: Base-Base interactions energy: -878.081 where: short stacking energy: -433.855 Base-Backbone interact. energy: -1.161 local terms energy: -563.207210 where: bonds (distance) C4'-P energy: -129.948 bonds (distance) P-C4' energy: -130.766 flat angles C4'-P-C4' energy: -131.534 flat angles P-C4'-P energy: -88.754 tors. eta vs tors. theta energy: -82.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -980.197699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.197699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.197699 (E_RNA) where: Base-Base interactions energy: -506.637 where: short stacking energy: -277.060 Base-Backbone interact. energy: 4.715 local terms energy: -478.275750 where: bonds (distance) C4'-P energy: -120.122 bonds (distance) P-C4' energy: -153.981 flat angles C4'-P-C4' energy: -109.736 flat angles P-C4'-P energy: -74.216 tors. eta vs tors. theta energy: -20.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -832.463928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.463928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.463928 (E_RNA) where: Base-Base interactions energy: -367.680 where: short stacking energy: -246.300 Base-Backbone interact. energy: -2.064 local terms energy: -462.720066 where: bonds (distance) C4'-P energy: -134.068 bonds (distance) P-C4' energy: -144.896 flat angles C4'-P-C4' energy: -121.347 flat angles P-C4'-P energy: -66.953 tors. eta vs tors. theta energy: 4.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -590.100474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.100474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.100474 (E_RNA) where: Base-Base interactions energy: -233.935 where: short stacking energy: -154.454 Base-Backbone interact. energy: 18.168 local terms energy: -374.333800 where: bonds (distance) C4'-P energy: -93.685 bonds (distance) P-C4' energy: -140.921 flat angles C4'-P-C4' energy: -101.394 flat angles P-C4'-P energy: -78.595 tors. eta vs tors. theta energy: 40.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -2469.372596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.372596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.372596 (E_RNA) where: Base-Base interactions energy: -1643.585 where: short stacking energy: -723.995 Base-Backbone interact. energy: -2.253 local terms energy: -823.534502 where: bonds (distance) C4'-P energy: -166.675 bonds (distance) P-C4' energy: -164.672 flat angles C4'-P-C4' energy: -188.358 flat angles P-C4'-P energy: -116.560 tors. eta vs tors. theta energy: -187.270 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: 1 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -2424.658608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.658608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.658608 (E_RNA) where: Base-Base interactions energy: -1643.852 where: short stacking energy: -683.931 Base-Backbone interact. energy: -4.558 local terms energy: -776.248467 where: bonds (distance) C4'-P energy: -164.769 bonds (distance) P-C4' energy: -162.843 flat angles C4'-P-C4' energy: -171.399 flat angles P-C4'-P energy: -90.099 tors. eta vs tors. theta energy: -187.138 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: 10 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -2163.365570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.365570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.365570 (E_RNA) where: Base-Base interactions energy: -1422.116 where: short stacking energy: -616.897 Base-Backbone interact. energy: -2.744 local terms energy: -738.506368 where: bonds (distance) C4'-P energy: -154.260 bonds (distance) P-C4' energy: -170.040 flat angles C4'-P-C4' energy: -170.599 flat angles P-C4'-P energy: -86.261 tors. eta vs tors. theta energy: -157.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -2019.300519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.300519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.300519 (E_RNA) where: Base-Base interactions energy: -1341.952 where: short stacking energy: -630.978 Base-Backbone interact. energy: 1.794 local terms energy: -679.141877 where: bonds (distance) C4'-P energy: -147.282 bonds (distance) P-C4' energy: -136.369 flat angles C4'-P-C4' energy: -154.367 flat angles P-C4'-P energy: -95.484 tors. eta vs tors. theta energy: -145.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1874.961022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.961022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.961022 (E_RNA) where: Base-Base interactions energy: -1172.238 where: short stacking energy: -548.125 Base-Backbone interact. energy: -1.197 local terms energy: -701.525879 where: bonds (distance) C4'-P energy: -142.209 bonds (distance) P-C4' energy: -157.785 flat angles C4'-P-C4' energy: -165.112 flat angles P-C4'-P energy: -94.989 tors. eta vs tors. theta energy: -141.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1638.683916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.683916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.683916 (E_RNA) where: Base-Base interactions energy: -1018.932 where: short stacking energy: -518.694 Base-Backbone interact. energy: 1.646 local terms energy: -621.398051 where: bonds (distance) C4'-P energy: -128.479 bonds (distance) P-C4' energy: -138.531 flat angles C4'-P-C4' energy: -151.668 flat angles P-C4'-P energy: -67.488 tors. eta vs tors. theta energy: -135.233 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: 6 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1441.761755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.761755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.761755 (E_RNA) where: Base-Base interactions energy: -864.943 where: short stacking energy: -408.869 Base-Backbone interact. energy: 3.559 local terms energy: -580.377167 where: bonds (distance) C4'-P energy: -148.588 bonds (distance) P-C4' energy: -131.433 flat angles C4'-P-C4' energy: -126.922 flat angles P-C4'-P energy: -97.566 tors. eta vs tors. theta energy: -75.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -979.458082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.458082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.458082 (E_RNA) where: Base-Base interactions energy: -493.846 where: short stacking energy: -309.428 Base-Backbone interact. energy: 0.655 local terms energy: -486.268009 where: bonds (distance) C4'-P energy: -124.102 bonds (distance) P-C4' energy: -142.366 flat angles C4'-P-C4' energy: -122.409 flat angles P-C4'-P energy: -73.352 tors. eta vs tors. theta energy: -24.040 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: 9, replica: 5 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -672.902208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.902208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.902208 (E_RNA) where: Base-Base interactions energy: -239.865 where: short stacking energy: -175.082 Base-Backbone interact. energy: -0.013 local terms energy: -433.024052 where: bonds (distance) C4'-P energy: -134.494 bonds (distance) P-C4' energy: -130.086 flat angles C4'-P-C4' energy: -122.770 flat angles P-C4'-P energy: -71.647 tors. eta vs tors. theta energy: 25.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -598.813864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.813864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.813864 (E_RNA) where: Base-Base interactions energy: -205.657 where: short stacking energy: -172.159 Base-Backbone interact. energy: 4.690 local terms energy: -397.847654 where: bonds (distance) C4'-P energy: -119.029 bonds (distance) P-C4' energy: -138.901 flat angles C4'-P-C4' energy: -95.709 flat angles P-C4'-P energy: -84.896 tors. eta vs tors. theta energy: 40.688 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: 1, replica: 4 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -2471.109078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.109078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.109078 (E_RNA) where: Base-Base interactions energy: -1685.199 where: short stacking energy: -673.881 Base-Backbone interact. energy: -8.176 local terms energy: -777.734500 where: bonds (distance) C4'-P energy: -165.710 bonds (distance) P-C4' energy: -148.775 flat angles C4'-P-C4' energy: -168.104 flat angles P-C4'-P energy: -113.368 tors. eta vs tors. theta energy: -181.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -2408.918588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.918588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.918588 (E_RNA) where: Base-Base interactions energy: -1635.592 where: short stacking energy: -679.558 Base-Backbone interact. energy: 3.797 local terms energy: -777.123314 where: bonds (distance) C4'-P energy: -152.615 bonds (distance) P-C4' energy: -153.436 flat angles C4'-P-C4' energy: -180.082 flat angles P-C4'-P energy: -107.096 tors. eta vs tors. theta energy: -183.895 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: 10 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -2246.948131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.948131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.948131 (E_RNA) where: Base-Base interactions energy: -1460.892 where: short stacking energy: -635.246 Base-Backbone interact. energy: -4.180 local terms energy: -781.876642 where: bonds (distance) C4'-P energy: -146.754 bonds (distance) P-C4' energy: -175.020 flat angles C4'-P-C4' energy: -180.479 flat angles P-C4'-P energy: -107.669 tors. eta vs tors. theta energy: -171.954 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: 4, replica: 8 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -2027.747981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.747981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.747981 (E_RNA) where: Base-Base interactions energy: -1355.193 where: short stacking energy: -613.265 Base-Backbone interact. energy: -0.720 local terms energy: -671.834578 where: bonds (distance) C4'-P energy: -140.255 bonds (distance) P-C4' energy: -151.137 flat angles C4'-P-C4' energy: -143.261 flat angles P-C4'-P energy: -85.422 tors. eta vs tors. theta energy: -151.759 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: 5, replica: 2 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1848.044482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.044482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.044482 (E_RNA) where: Base-Base interactions energy: -1167.093 where: short stacking energy: -541.064 Base-Backbone interact. energy: 0.692 local terms energy: -681.643121 where: bonds (distance) C4'-P energy: -140.077 bonds (distance) P-C4' energy: -169.469 flat angles C4'-P-C4' energy: -163.963 flat angles P-C4'-P energy: -92.995 tors. eta vs tors. theta energy: -115.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1569.322252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.322252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.322252 (E_RNA) where: Base-Base interactions energy: -924.622 where: short stacking energy: -441.514 Base-Backbone interact. energy: -0.674 local terms energy: -644.026009 where: bonds (distance) C4'-P energy: -134.543 bonds (distance) P-C4' energy: -155.989 flat angles C4'-P-C4' energy: -139.343 flat angles P-C4'-P energy: -104.782 tors. eta vs tors. theta energy: -109.369 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: 7, replica: 6 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1407.266524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.266524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.266524 (E_RNA) where: Base-Base interactions energy: -832.824 where: short stacking energy: -422.869 Base-Backbone interact. energy: -1.545 local terms energy: -572.897880 where: bonds (distance) C4'-P energy: -129.746 bonds (distance) P-C4' energy: -142.555 flat angles C4'-P-C4' energy: -149.900 flat angles P-C4'-P energy: -79.263 tors. eta vs tors. theta energy: -71.434 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: 7 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1036.683550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.683550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.683550 (E_RNA) where: Base-Base interactions energy: -517.916 where: short stacking energy: -303.180 Base-Backbone interact. energy: 4.866 local terms energy: -523.633729 where: bonds (distance) C4'-P energy: -151.386 bonds (distance) P-C4' energy: -148.779 flat angles C4'-P-C4' energy: -135.777 flat angles P-C4'-P energy: -56.003 tors. eta vs tors. theta energy: -31.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -685.343071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.343071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.343071 (E_RNA) where: Base-Base interactions energy: -265.991 where: short stacking energy: -195.721 Base-Backbone interact. energy: -2.329 local terms energy: -417.023829 where: bonds (distance) C4'-P energy: -150.052 bonds (distance) P-C4' energy: -113.059 flat angles C4'-P-C4' energy: -107.324 flat angles P-C4'-P energy: -62.181 tors. eta vs tors. theta energy: 15.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -611.443237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.443237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.443237 (E_RNA) where: Base-Base interactions energy: -242.306 where: short stacking energy: -165.888 Base-Backbone interact. energy: 4.801 local terms energy: -373.938194 where: bonds (distance) C4'-P energy: -120.914 bonds (distance) P-C4' energy: -128.292 flat angles C4'-P-C4' energy: -119.342 flat angles P-C4'-P energy: -49.813 tors. eta vs tors. theta energy: 44.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -2474.129675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.129675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.129675 (E_RNA) where: Base-Base interactions energy: -1642.825 where: short stacking energy: -710.552 Base-Backbone interact. energy: -4.486 local terms energy: -826.818137 where: bonds (distance) C4'-P energy: -173.234 bonds (distance) P-C4' energy: -157.466 flat angles C4'-P-C4' energy: -180.730 flat angles P-C4'-P energy: -122.216 tors. eta vs tors. theta energy: -193.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -2451.423790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.423790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.423790 (E_RNA) where: Base-Base interactions energy: -1692.960 where: short stacking energy: -692.170 Base-Backbone interact. energy: 4.101 local terms energy: -762.565155 where: bonds (distance) C4'-P energy: -149.305 bonds (distance) P-C4' energy: -151.680 flat angles C4'-P-C4' energy: -160.725 flat angles P-C4'-P energy: -117.602 tors. eta vs tors. theta energy: -183.254 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: 10 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -2235.818993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.818993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.818993 (E_RNA) where: Base-Base interactions energy: -1479.940 where: short stacking energy: -631.612 Base-Backbone interact. energy: -2.304 local terms energy: -753.575059 where: bonds (distance) C4'-P energy: -135.588 bonds (distance) P-C4' energy: -153.617 flat angles C4'-P-C4' energy: -174.790 flat angles P-C4'-P energy: -118.476 tors. eta vs tors. theta energy: -171.103 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: 4, replica: 2 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -2080.512892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.512892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.512892 (E_RNA) where: Base-Base interactions energy: -1347.446 where: short stacking energy: -632.184 Base-Backbone interact. energy: 0.559 local terms energy: -733.625601 where: bonds (distance) C4'-P energy: -153.532 bonds (distance) P-C4' energy: -134.544 flat angles C4'-P-C4' energy: -173.295 flat angles P-C4'-P energy: -110.583 tors. eta vs tors. theta energy: -161.672 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: 8 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1941.127567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.127567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.127567 (E_RNA) where: Base-Base interactions energy: -1247.238 where: short stacking energy: -556.586 Base-Backbone interact. energy: 0.106 local terms energy: -693.995888 where: bonds (distance) C4'-P energy: -142.916 bonds (distance) P-C4' energy: -135.621 flat angles C4'-P-C4' energy: -154.411 flat angles P-C4'-P energy: -111.385 tors. eta vs tors. theta energy: -149.663 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: 6, replica: 3 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1563.747267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.747267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.747267 (E_RNA) where: Base-Base interactions energy: -924.989 where: short stacking energy: -456.059 Base-Backbone interact. energy: -0.049 local terms energy: -638.708762 where: bonds (distance) C4'-P energy: -138.024 bonds (distance) P-C4' energy: -153.369 flat angles C4'-P-C4' energy: -146.757 flat angles P-C4'-P energy: -81.568 tors. eta vs tors. theta energy: -118.991 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: 7, replica: 6 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1370.778618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.778618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.778618 (E_RNA) where: Base-Base interactions energy: -827.372 where: short stacking energy: -384.272 Base-Backbone interact. energy: 7.680 local terms energy: -551.086304 where: bonds (distance) C4'-P energy: -130.388 bonds (distance) P-C4' energy: -127.823 flat angles C4'-P-C4' energy: -142.136 flat angles P-C4'-P energy: -86.052 tors. eta vs tors. theta energy: -64.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1057.130366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.130366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.130366 (E_RNA) where: Base-Base interactions energy: -572.011 where: short stacking energy: -284.085 Base-Backbone interact. energy: -1.876 local terms energy: -483.243553 where: bonds (distance) C4'-P energy: -130.933 bonds (distance) P-C4' energy: -138.622 flat angles C4'-P-C4' energy: -109.337 flat angles P-C4'-P energy: -93.901 tors. eta vs tors. theta energy: -10.451 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: 5 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -682.236445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.236445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.236445 (E_RNA) where: Base-Base interactions energy: -281.093 where: short stacking energy: -198.369 Base-Backbone interact. energy: -3.352 local terms energy: -397.792022 where: bonds (distance) C4'-P energy: -113.503 bonds (distance) P-C4' energy: -129.627 flat angles C4'-P-C4' energy: -115.056 flat angles P-C4'-P energy: -52.517 tors. eta vs tors. theta energy: 12.910 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: 10, replica: 9 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -629.150763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.150763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.150763 (E_RNA) where: Base-Base interactions energy: -258.619 where: short stacking energy: -181.552 Base-Backbone interact. energy: 0.667 local terms energy: -371.198427 where: bonds (distance) C4'-P energy: -111.210 bonds (distance) P-C4' energy: -131.486 flat angles C4'-P-C4' energy: -110.161 flat angles P-C4'-P energy: -64.103 tors. eta vs tors. theta energy: 45.762 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: 1 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -2527.028050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.028050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.028050 (E_RNA) where: Base-Base interactions energy: -1727.919 where: short stacking energy: -738.532 Base-Backbone interact. energy: -3.516 local terms energy: -795.592829 where: bonds (distance) C4'-P energy: -160.581 bonds (distance) P-C4' energy: -148.150 flat angles C4'-P-C4' energy: -183.820 flat angles P-C4'-P energy: -108.245 tors. eta vs tors. theta energy: -194.797 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: 4 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -2349.949498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.949498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.949498 (E_RNA) where: Base-Base interactions energy: -1541.833 where: short stacking energy: -698.717 Base-Backbone interact. energy: -2.692 local terms energy: -805.424755 where: bonds (distance) C4'-P energy: -147.262 bonds (distance) P-C4' energy: -170.542 flat angles C4'-P-C4' energy: -186.345 flat angles P-C4'-P energy: -105.953 tors. eta vs tors. theta energy: -195.322 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: 10 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -2137.620782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.620782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.620782 (E_RNA) where: Base-Base interactions energy: -1419.828 where: short stacking energy: -629.157 Base-Backbone interact. energy: -1.592 local terms energy: -716.201048 where: bonds (distance) C4'-P energy: -158.799 bonds (distance) P-C4' energy: -152.980 flat angles C4'-P-C4' energy: -161.397 flat angles P-C4'-P energy: -93.403 tors. eta vs tors. theta energy: -149.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -2098.348591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.348591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.348591 (E_RNA) where: Base-Base interactions energy: -1393.347 where: short stacking energy: -633.002 Base-Backbone interact. energy: -2.713 local terms energy: -702.288154 where: bonds (distance) C4'-P energy: -148.296 bonds (distance) P-C4' energy: -133.878 flat angles C4'-P-C4' energy: -158.046 flat angles P-C4'-P energy: -88.263 tors. eta vs tors. theta energy: -173.805 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: 8 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1887.231511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.231511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.231511 (E_RNA) where: Base-Base interactions energy: -1225.948 where: short stacking energy: -537.784 Base-Backbone interact. energy: -2.576 local terms energy: -658.707415 where: bonds (distance) C4'-P energy: -137.835 bonds (distance) P-C4' energy: -135.836 flat angles C4'-P-C4' energy: -157.413 flat angles P-C4'-P energy: -93.830 tors. eta vs tors. theta energy: -133.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1596.103749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.103749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.103749 (E_RNA) where: Base-Base interactions energy: -988.003 where: short stacking energy: -452.296 Base-Backbone interact. energy: 3.003 local terms energy: -611.104289 where: bonds (distance) C4'-P energy: -138.119 bonds (distance) P-C4' energy: -151.205 flat angles C4'-P-C4' energy: -140.387 flat angles P-C4'-P energy: -91.669 tors. eta vs tors. theta energy: -89.724 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: 6 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1397.675231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.675231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.675231 (E_RNA) where: Base-Base interactions energy: -857.579 where: short stacking energy: -380.563 Base-Backbone interact. energy: -0.293 local terms energy: -539.802928 where: bonds (distance) C4'-P energy: -135.638 bonds (distance) P-C4' energy: -137.286 flat angles C4'-P-C4' energy: -135.832 flat angles P-C4'-P energy: -84.721 tors. eta vs tors. theta energy: -46.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -1086.518961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.518961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.518961 (E_RNA) where: Base-Base interactions energy: -599.246 where: short stacking energy: -341.653 Base-Backbone interact. energy: 6.286 local terms energy: -493.558320 where: bonds (distance) C4'-P energy: -121.860 bonds (distance) P-C4' energy: -124.588 flat angles C4'-P-C4' energy: -122.838 flat angles P-C4'-P energy: -80.270 tors. eta vs tors. theta energy: -44.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -680.297443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.297443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.297443 (E_RNA) where: Base-Base interactions energy: -277.693 where: short stacking energy: -212.351 Base-Backbone interact. energy: -0.546 local terms energy: -402.058739 where: bonds (distance) C4'-P energy: -125.396 bonds (distance) P-C4' energy: -142.084 flat angles C4'-P-C4' energy: -111.696 flat angles P-C4'-P energy: -47.039 tors. eta vs tors. theta energy: 24.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -627.559435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.559435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.559435 (E_RNA) where: Base-Base interactions energy: -249.546 where: short stacking energy: -187.180 Base-Backbone interact. energy: 4.635 local terms energy: -382.648588 where: bonds (distance) C4'-P energy: -125.467 bonds (distance) P-C4' energy: -129.519 flat angles C4'-P-C4' energy: -117.623 flat angles P-C4'-P energy: -50.566 tors. eta vs tors. theta energy: 40.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -2540.457238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.457238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.457238 (E_RNA) where: Base-Base interactions energy: -1714.649 where: short stacking energy: -732.685 Base-Backbone interact. energy: -9.287 local terms energy: -816.521290 where: bonds (distance) C4'-P energy: -149.752 bonds (distance) P-C4' energy: -172.901 flat angles C4'-P-C4' energy: -178.544 flat angles P-C4'-P energy: -118.971 tors. eta vs tors. theta energy: -196.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -2380.669457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.669457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.669457 (E_RNA) where: Base-Base interactions energy: -1595.060 where: short stacking energy: -681.572 Base-Backbone interact. energy: -2.252 local terms energy: -783.356947 where: bonds (distance) C4'-P energy: -140.645 bonds (distance) P-C4' energy: -163.081 flat angles C4'-P-C4' energy: -169.509 flat angles P-C4'-P energy: -131.078 tors. eta vs tors. theta energy: -179.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -2102.850579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.850579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.850579 (E_RNA) where: Base-Base interactions energy: -1398.537 where: short stacking energy: -625.411 Base-Backbone interact. energy: 2.414 local terms energy: -706.728212 where: bonds (distance) C4'-P energy: -124.362 bonds (distance) P-C4' energy: -147.760 flat angles C4'-P-C4' energy: -170.552 flat angles P-C4'-P energy: -107.794 tors. eta vs tors. theta energy: -156.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -2111.936728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.936728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.936728 (E_RNA) where: Base-Base interactions energy: -1374.829 where: short stacking energy: -631.047 Base-Backbone interact. energy: 3.152 local terms energy: -740.259643 where: bonds (distance) C4'-P energy: -149.070 bonds (distance) P-C4' energy: -138.442 flat angles C4'-P-C4' energy: -158.706 flat angles P-C4'-P energy: -109.885 tors. eta vs tors. theta energy: -184.156 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: 8 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1816.582828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.582828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.582828 (E_RNA) where: Base-Base interactions energy: -1153.044 where: short stacking energy: -497.070 Base-Backbone interact. energy: -1.818 local terms energy: -661.720424 where: bonds (distance) C4'-P energy: -138.961 bonds (distance) P-C4' energy: -145.481 flat angles C4'-P-C4' energy: -145.625 flat angles P-C4'-P energy: -111.593 tors. eta vs tors. theta energy: -120.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1631.686557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.686557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.686557 (E_RNA) where: Base-Base interactions energy: -1029.327 where: short stacking energy: -510.901 Base-Backbone interact. energy: -2.541 local terms energy: -599.818650 where: bonds (distance) C4'-P energy: -118.803 bonds (distance) P-C4' energy: -149.213 flat angles C4'-P-C4' energy: -137.778 flat angles P-C4'-P energy: -94.778 tors. eta vs tors. theta energy: -99.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1441.900990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.900990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.900990 (E_RNA) where: Base-Base interactions energy: -867.209 where: short stacking energy: -397.355 Base-Backbone interact. energy: -0.772 local terms energy: -573.919291 where: bonds (distance) C4'-P energy: -144.408 bonds (distance) P-C4' energy: -131.225 flat angles C4'-P-C4' energy: -149.553 flat angles P-C4'-P energy: -68.423 tors. eta vs tors. theta energy: -80.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1003.714433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.714433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.714433 (E_RNA) where: Base-Base interactions energy: -501.287 where: short stacking energy: -264.216 Base-Backbone interact. energy: 3.263 local terms energy: -505.690965 where: bonds (distance) C4'-P energy: -134.822 bonds (distance) P-C4' energy: -151.387 flat angles C4'-P-C4' energy: -132.436 flat angles P-C4'-P energy: -72.723 tors. eta vs tors. theta energy: -14.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -767.325462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.325462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.325462 (E_RNA) where: Base-Base interactions energy: -353.217 where: short stacking energy: -207.117 Base-Backbone interact. energy: -2.777 local terms energy: -411.331518 where: bonds (distance) C4'-P energy: -106.886 bonds (distance) P-C4' energy: -141.817 flat angles C4'-P-C4' energy: -115.669 flat angles P-C4'-P energy: -55.646 tors. eta vs tors. theta energy: 8.686 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: 5 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -600.520011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.520011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.520011 (E_RNA) where: Base-Base interactions energy: -202.032 where: short stacking energy: -174.403 Base-Backbone interact. energy: 6.708 local terms energy: -405.195584 where: bonds (distance) C4'-P energy: -119.859 bonds (distance) P-C4' energy: -140.149 flat angles C4'-P-C4' energy: -98.659 flat angles P-C4'-P energy: -75.412 tors. eta vs tors. theta energy: 28.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -2541.663487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.663487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.663487 (E_RNA) where: Base-Base interactions energy: -1727.543 where: short stacking energy: -716.847 Base-Backbone interact. energy: 0.059 local terms energy: -814.178977 where: bonds (distance) C4'-P energy: -155.644 bonds (distance) P-C4' energy: -164.989 flat angles C4'-P-C4' energy: -173.325 flat angles P-C4'-P energy: -116.448 tors. eta vs tors. theta energy: -203.773 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: 4 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -2348.496754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.496754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.496754 (E_RNA) where: Base-Base interactions energy: -1560.218 where: short stacking energy: -699.073 Base-Backbone interact. energy: -2.321 local terms energy: -785.958232 where: bonds (distance) C4'-P energy: -158.883 bonds (distance) P-C4' energy: -165.233 flat angles C4'-P-C4' energy: -162.346 flat angles P-C4'-P energy: -114.436 tors. eta vs tors. theta energy: -185.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -2164.355304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.355304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.355304 (E_RNA) where: Base-Base interactions energy: -1405.508 where: short stacking energy: -636.646 Base-Backbone interact. energy: 1.342 local terms energy: -760.189613 where: bonds (distance) C4'-P energy: -169.396 bonds (distance) P-C4' energy: -154.895 flat angles C4'-P-C4' energy: -154.239 flat angles P-C4'-P energy: -110.824 tors. eta vs tors. theta energy: -170.836 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: 4, replica: 10 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -2100.460234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.460234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.460234 (E_RNA) where: Base-Base interactions energy: -1354.700 where: short stacking energy: -619.528 Base-Backbone interact. energy: -5.257 local terms energy: -740.503713 where: bonds (distance) C4'-P energy: -143.670 bonds (distance) P-C4' energy: -153.200 flat angles C4'-P-C4' energy: -171.300 flat angles P-C4'-P energy: -108.496 tors. eta vs tors. theta energy: -163.838 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: 5, replica: 8 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1786.477765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.477765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.477765 (E_RNA) where: Base-Base interactions energy: -1165.669 where: short stacking energy: -528.388 Base-Backbone interact. energy: 1.557 local terms energy: -622.366466 where: bonds (distance) C4'-P energy: -125.762 bonds (distance) P-C4' energy: -135.995 flat angles C4'-P-C4' energy: -157.108 flat angles P-C4'-P energy: -90.063 tors. eta vs tors. theta energy: -113.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1610.555642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.555642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.555642 (E_RNA) where: Base-Base interactions energy: -976.477 where: short stacking energy: -467.307 Base-Backbone interact. energy: -1.351 local terms energy: -632.727188 where: bonds (distance) C4'-P energy: -150.799 bonds (distance) P-C4' energy: -141.958 flat angles C4'-P-C4' energy: -151.436 flat angles P-C4'-P energy: -80.144 tors. eta vs tors. theta energy: -108.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1395.769613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.769613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.769613 (E_RNA) where: Base-Base interactions energy: -863.889 where: short stacking energy: -416.594 Base-Backbone interact. energy: -3.872 local terms energy: -528.008490 where: bonds (distance) C4'-P energy: -132.035 bonds (distance) P-C4' energy: -134.922 flat angles C4'-P-C4' energy: -109.095 flat angles P-C4'-P energy: -71.297 tors. eta vs tors. theta energy: -80.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1069.883011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.883011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.883011 (E_RNA) where: Base-Base interactions energy: -546.679 where: short stacking energy: -291.706 Base-Backbone interact. energy: -1.522 local terms energy: -521.681300 where: bonds (distance) C4'-P energy: -128.610 bonds (distance) P-C4' energy: -170.340 flat angles C4'-P-C4' energy: -124.934 flat angles P-C4'-P energy: -63.935 tors. eta vs tors. theta energy: -33.863 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: 9 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -731.140991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.140991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.140991 (E_RNA) where: Base-Base interactions energy: -301.957 where: short stacking energy: -205.504 Base-Backbone interact. energy: -2.159 local terms energy: -427.024839 where: bonds (distance) C4'-P energy: -125.335 bonds (distance) P-C4' energy: -138.157 flat angles C4'-P-C4' energy: -123.557 flat angles P-C4'-P energy: -47.958 tors. eta vs tors. theta energy: 7.981 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: 5 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -685.324249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.324249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.324249 (E_RNA) where: Base-Base interactions energy: -307.856 where: short stacking energy: -195.002 Base-Backbone interact. energy: 2.431 local terms energy: -379.899204 where: bonds (distance) C4'-P energy: -108.552 bonds (distance) P-C4' energy: -118.342 flat angles C4'-P-C4' energy: -128.045 flat angles P-C4'-P energy: -48.875 tors. eta vs tors. theta energy: 23.913 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: 1 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -2546.877200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.877200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.877200 (E_RNA) where: Base-Base interactions energy: -1755.436 where: short stacking energy: -712.055 Base-Backbone interact. energy: -1.109 local terms energy: -790.332086 where: bonds (distance) C4'-P energy: -161.499 bonds (distance) P-C4' energy: -177.401 flat angles C4'-P-C4' energy: -162.943 flat angles P-C4'-P energy: -100.381 tors. eta vs tors. theta energy: -188.108 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: 4 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -2358.502867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.502867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.502867 (E_RNA) where: Base-Base interactions energy: -1540.746 where: short stacking energy: -678.911 Base-Backbone interact. energy: -2.262 local terms energy: -815.495758 where: bonds (distance) C4'-P energy: -159.122 bonds (distance) P-C4' energy: -174.891 flat angles C4'-P-C4' energy: -169.462 flat angles P-C4'-P energy: -124.199 tors. eta vs tors. theta energy: -187.822 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: 2 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -2169.382603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.382603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.382603 (E_RNA) where: Base-Base interactions energy: -1414.163 where: short stacking energy: -643.668 Base-Backbone interact. energy: -1.336 local terms energy: -753.883997 where: bonds (distance) C4'-P energy: -157.928 bonds (distance) P-C4' energy: -152.496 flat angles C4'-P-C4' energy: -168.083 flat angles P-C4'-P energy: -111.612 tors. eta vs tors. theta energy: -163.765 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: 4, replica: 10 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -2099.983753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.983753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.983753 (E_RNA) where: Base-Base interactions energy: -1373.296 where: short stacking energy: -605.701 Base-Backbone interact. energy: -4.612 local terms energy: -722.075166 where: bonds (distance) C4'-P energy: -161.934 bonds (distance) P-C4' energy: -140.429 flat angles C4'-P-C4' energy: -153.030 flat angles P-C4'-P energy: -121.853 tors. eta vs tors. theta energy: -144.830 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: 5, replica: 8 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1815.614803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.614803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.614803 (E_RNA) where: Base-Base interactions energy: -1158.565 where: short stacking energy: -508.215 Base-Backbone interact. energy: -1.336 local terms energy: -655.713768 where: bonds (distance) C4'-P energy: -142.655 bonds (distance) P-C4' energy: -151.861 flat angles C4'-P-C4' energy: -154.370 flat angles P-C4'-P energy: -94.058 tors. eta vs tors. theta energy: -112.769 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: 3 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1528.914744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.914744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.914744 (E_RNA) where: Base-Base interactions energy: -915.857 where: short stacking energy: -421.937 Base-Backbone interact. energy: 1.224 local terms energy: -614.281682 where: bonds (distance) C4'-P energy: -152.522 bonds (distance) P-C4' energy: -135.881 flat angles C4'-P-C4' energy: -147.023 flat angles P-C4'-P energy: -92.248 tors. eta vs tors. theta energy: -86.608 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: 7, replica: 6 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1462.441635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.441635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.441635 (E_RNA) where: Base-Base interactions energy: -863.697 where: short stacking energy: -396.694 Base-Backbone interact. energy: 3.232 local terms energy: -601.976584 where: bonds (distance) C4'-P energy: -145.823 bonds (distance) P-C4' energy: -162.614 flat angles C4'-P-C4' energy: -134.908 flat angles P-C4'-P energy: -91.276 tors. eta vs tors. theta energy: -67.357 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: 8, replica: 7 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -1125.192300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.192300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.192300 (E_RNA) where: Base-Base interactions energy: -630.618 where: short stacking energy: -350.840 Base-Backbone interact. energy: -3.305 local terms energy: -491.269932 where: bonds (distance) C4'-P energy: -131.943 bonds (distance) P-C4' energy: -137.546 flat angles C4'-P-C4' energy: -109.836 flat angles P-C4'-P energy: -77.679 tors. eta vs tors. theta energy: -34.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -705.285838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.285838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.285838 (E_RNA) where: Base-Base interactions energy: -279.104 where: short stacking energy: -171.280 Base-Backbone interact. energy: 12.269 local terms energy: -438.450729 where: bonds (distance) C4'-P energy: -138.025 bonds (distance) P-C4' energy: -143.806 flat angles C4'-P-C4' energy: -118.054 flat angles P-C4'-P energy: -63.934 tors. eta vs tors. theta energy: 25.368 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: 5 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -627.497197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.497197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.497197 (E_RNA) where: Base-Base interactions energy: -233.893 where: short stacking energy: -153.028 Base-Backbone interact. energy: -2.451 local terms energy: -391.153151 where: bonds (distance) C4'-P energy: -123.486 bonds (distance) P-C4' energy: -129.114 flat angles C4'-P-C4' energy: -103.788 flat angles P-C4'-P energy: -71.587 tors. eta vs tors. theta energy: 36.822 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: 1, replica: 1 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2529.639805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.639805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.639805 (E_RNA) where: Base-Base interactions energy: -1722.498 where: short stacking energy: -720.632 Base-Backbone interact. energy: -3.728 local terms energy: -803.413524 where: bonds (distance) C4'-P energy: -157.326 bonds (distance) P-C4' energy: -159.771 flat angles C4'-P-C4' energy: -183.121 flat angles P-C4'-P energy: -108.097 tors. eta vs tors. theta energy: -195.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -2353.425439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.425439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.425439 (E_RNA) where: Base-Base interactions energy: -1583.942 where: short stacking energy: -682.904 Base-Backbone interact. energy: -1.291 local terms energy: -768.192401 where: bonds (distance) C4'-P energy: -157.503 bonds (distance) P-C4' energy: -145.254 flat angles C4'-P-C4' energy: -167.023 flat angles P-C4'-P energy: -117.082 tors. eta vs tors. theta energy: -181.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -2220.293984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.293984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.293984 (E_RNA) where: Base-Base interactions energy: -1455.676 where: short stacking energy: -657.629 Base-Backbone interact. energy: 0.836 local terms energy: -765.453521 where: bonds (distance) C4'-P energy: -151.846 bonds (distance) P-C4' energy: -154.793 flat angles C4'-P-C4' energy: -170.982 flat angles P-C4'-P energy: -97.681 tors. eta vs tors. theta energy: -190.151 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: 10 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -2051.384016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.384016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.384016 (E_RNA) where: Base-Base interactions energy: -1380.776 where: short stacking energy: -600.928 Base-Backbone interact. energy: -1.675 local terms energy: -668.932778 where: bonds (distance) C4'-P energy: -137.040 bonds (distance) P-C4' energy: -131.934 flat angles C4'-P-C4' energy: -150.472 flat angles P-C4'-P energy: -100.043 tors. eta vs tors. theta energy: -149.444 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: 8 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1755.608397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.608397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.608397 (E_RNA) where: Base-Base interactions energy: -1155.336 where: short stacking energy: -500.215 Base-Backbone interact. energy: -0.767 local terms energy: -599.505704 where: bonds (distance) C4'-P energy: -129.422 bonds (distance) P-C4' energy: -148.134 flat angles C4'-P-C4' energy: -151.375 flat angles P-C4'-P energy: -89.344 tors. eta vs tors. theta energy: -81.232 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: 3 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1571.650575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.650575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.650575 (E_RNA) where: Base-Base interactions energy: -940.594 where: short stacking energy: -439.614 Base-Backbone interact. energy: -0.050 local terms energy: -631.006299 where: bonds (distance) C4'-P energy: -156.771 bonds (distance) P-C4' energy: -152.014 flat angles C4'-P-C4' energy: -149.052 flat angles P-C4'-P energy: -80.604 tors. eta vs tors. theta energy: -92.566 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: 6 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1407.147047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.147047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.147047 (E_RNA) where: Base-Base interactions energy: -858.531 where: short stacking energy: -418.447 Base-Backbone interact. energy: -1.767 local terms energy: -546.849777 where: bonds (distance) C4'-P energy: -124.197 bonds (distance) P-C4' energy: -126.162 flat angles C4'-P-C4' energy: -128.893 flat angles P-C4'-P energy: -94.432 tors. eta vs tors. theta energy: -73.166 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: 7 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -1064.952584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.952584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.952584 (E_RNA) where: Base-Base interactions energy: -565.946 where: short stacking energy: -329.649 Base-Backbone interact. energy: -2.636 local terms energy: -496.369648 where: bonds (distance) C4'-P energy: -127.294 bonds (distance) P-C4' energy: -124.113 flat angles C4'-P-C4' energy: -148.496 flat angles P-C4'-P energy: -72.754 tors. eta vs tors. theta energy: -23.712 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: 5 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -684.179653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.179653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.179653 (E_RNA) where: Base-Base interactions energy: -265.228 where: short stacking energy: -204.665 Base-Backbone interact. energy: 4.250 local terms energy: -423.201403 where: bonds (distance) C4'-P energy: -123.916 bonds (distance) P-C4' energy: -128.727 flat angles C4'-P-C4' energy: -125.350 flat angles P-C4'-P energy: -64.424 tors. eta vs tors. theta energy: 19.216 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: 66 Temperature: 1.350000 Total energy: -603.434282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.434282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.434282 (E_RNA) where: Base-Base interactions energy: -205.647 where: short stacking energy: -180.408 Base-Backbone interact. energy: -4.262 local terms energy: -393.525265 where: bonds (distance) C4'-P energy: -130.356 bonds (distance) P-C4' energy: -115.653 flat angles C4'-P-C4' energy: -113.204 flat angles P-C4'-P energy: -65.237 tors. eta vs tors. theta energy: 30.925 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: 1, replica: 1 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -2563.274766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.274766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.274766 (E_RNA) where: Base-Base interactions energy: -1756.120 where: short stacking energy: -730.619 Base-Backbone interact. energy: -4.155 local terms energy: -803.000118 where: bonds (distance) C4'-P energy: -156.014 bonds (distance) P-C4' energy: -156.367 flat angles C4'-P-C4' energy: -181.890 flat angles P-C4'-P energy: -120.643 tors. eta vs tors. theta energy: -188.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -2340.011231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.011231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.011231 (E_RNA) where: Base-Base interactions energy: -1585.795 where: short stacking energy: -660.504 Base-Backbone interact. energy: -1.623 local terms energy: -752.592527 where: bonds (distance) C4'-P energy: -163.869 bonds (distance) P-C4' energy: -161.507 flat angles C4'-P-C4' energy: -151.051 flat angles P-C4'-P energy: -92.546 tors. eta vs tors. theta energy: -183.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -2170.521788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.521788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.521788 (E_RNA) where: Base-Base interactions energy: -1429.178 where: short stacking energy: -629.705 Base-Backbone interact. energy: -1.096 local terms energy: -740.248065 where: bonds (distance) C4'-P energy: -142.415 bonds (distance) P-C4' energy: -155.831 flat angles C4'-P-C4' energy: -161.806 flat angles P-C4'-P energy: -105.159 tors. eta vs tors. theta energy: -175.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -1971.714650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.714650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.714650 (E_RNA) where: Base-Base interactions energy: -1265.139 where: short stacking energy: -569.012 Base-Backbone interact. energy: -3.349 local terms energy: -703.226691 where: bonds (distance) C4'-P energy: -149.064 bonds (distance) P-C4' energy: -142.103 flat angles C4'-P-C4' energy: -166.981 flat angles P-C4'-P energy: -100.560 tors. eta vs tors. theta energy: -144.518 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: 8 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1869.241016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.241016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.241016 (E_RNA) where: Base-Base interactions energy: -1211.160 where: short stacking energy: -531.046 Base-Backbone interact. energy: 1.892 local terms energy: -659.973408 where: bonds (distance) C4'-P energy: -135.502 bonds (distance) P-C4' energy: -153.706 flat angles C4'-P-C4' energy: -155.797 flat angles P-C4'-P energy: -101.417 tors. eta vs tors. theta energy: -113.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1524.548799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.548799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.548799 (E_RNA) where: Base-Base interactions energy: -934.543 where: short stacking energy: -458.053 Base-Backbone interact. energy: 2.857 local terms energy: -592.862321 where: bonds (distance) C4'-P energy: -155.253 bonds (distance) P-C4' energy: -128.459 flat angles C4'-P-C4' energy: -135.826 flat angles P-C4'-P energy: -93.827 tors. eta vs tors. theta energy: -79.498 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: 7, replica: 6 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1471.932357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.932357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.932357 (E_RNA) where: Base-Base interactions energy: -901.071 where: short stacking energy: -402.356 Base-Backbone interact. energy: -1.617 local terms energy: -569.244518 where: bonds (distance) C4'-P energy: -129.096 bonds (distance) P-C4' energy: -140.439 flat angles C4'-P-C4' energy: -150.308 flat angles P-C4'-P energy: -76.648 tors. eta vs tors. theta energy: -72.753 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: 8, replica: 7 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1021.578029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.578029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.578029 (E_RNA) where: Base-Base interactions energy: -526.507 where: short stacking energy: -281.612 Base-Backbone interact. energy: -4.030 local terms energy: -491.041806 where: bonds (distance) C4'-P energy: -139.148 bonds (distance) P-C4' energy: -121.256 flat angles C4'-P-C4' energy: -127.360 flat angles P-C4'-P energy: -64.959 tors. eta vs tors. theta energy: -38.319 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: 5 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -813.601049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.601049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.601049 (E_RNA) where: Base-Base interactions energy: -386.469 where: short stacking energy: -239.561 Base-Backbone interact. energy: 5.504 local terms energy: -432.635228 where: bonds (distance) C4'-P energy: -139.511 bonds (distance) P-C4' energy: -110.636 flat angles C4'-P-C4' energy: -106.482 flat angles P-C4'-P energy: -74.506 tors. eta vs tors. theta energy: -1.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -595.174069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.174069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.174069 (E_RNA) where: Base-Base interactions energy: -198.637 where: short stacking energy: -137.412 Base-Backbone interact. energy: 2.296 local terms energy: -398.832960 where: bonds (distance) C4'-P energy: -138.401 bonds (distance) P-C4' energy: -135.662 flat angles C4'-P-C4' energy: -113.161 flat angles P-C4'-P energy: -52.318 tors. eta vs tors. theta energy: 40.708 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: 1, replica: 1 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -2522.176132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.176132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.176132 (E_RNA) where: Base-Base interactions energy: -1722.344 where: short stacking energy: -720.537 Base-Backbone interact. energy: -2.448 local terms energy: -797.383922 where: bonds (distance) C4'-P energy: -156.157 bonds (distance) P-C4' energy: -156.692 flat angles C4'-P-C4' energy: -171.983 flat angles P-C4'-P energy: -122.542 tors. eta vs tors. theta energy: -190.009 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: 4 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -2320.885354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.885354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.885354 (E_RNA) where: Base-Base interactions energy: -1529.211 where: short stacking energy: -656.358 Base-Backbone interact. energy: -4.041 local terms energy: -787.632889 where: bonds (distance) C4'-P energy: -165.851 bonds (distance) P-C4' energy: -161.294 flat angles C4'-P-C4' energy: -163.074 flat angles P-C4'-P energy: -118.482 tors. eta vs tors. theta energy: -178.931 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: 3, replica: 2 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -2215.484310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.484310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.484310 (E_RNA) where: Base-Base interactions energy: -1444.271 where: short stacking energy: -665.285 Base-Backbone interact. energy: -0.164 local terms energy: -771.049357 where: bonds (distance) C4'-P energy: -161.616 bonds (distance) P-C4' energy: -159.760 flat angles C4'-P-C4' energy: -160.367 flat angles P-C4'-P energy: -99.408 tors. eta vs tors. theta energy: -189.899 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: 4, replica: 10 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -2002.817326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.817326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.817326 (E_RNA) where: Base-Base interactions energy: -1317.655 where: short stacking energy: -543.011 Base-Backbone interact. energy: 2.286 local terms energy: -687.448259 where: bonds (distance) C4'-P energy: -147.840 bonds (distance) P-C4' energy: -163.176 flat angles C4'-P-C4' energy: -156.313 flat angles P-C4'-P energy: -99.887 tors. eta vs tors. theta energy: -120.232 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: 5, replica: 8 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1890.389671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.389671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.389671 (E_RNA) where: Base-Base interactions energy: -1225.009 where: short stacking energy: -528.827 Base-Backbone interact. energy: -3.244 local terms energy: -662.136684 where: bonds (distance) C4'-P energy: -122.645 bonds (distance) P-C4' energy: -162.038 flat angles C4'-P-C4' energy: -152.260 flat angles P-C4'-P energy: -95.108 tors. eta vs tors. theta energy: -130.086 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: 3 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1555.475764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.475764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.475764 (E_RNA) where: Base-Base interactions energy: -905.889 where: short stacking energy: -431.914 Base-Backbone interact. energy: -1.613 local terms energy: -647.973711 where: bonds (distance) C4'-P energy: -144.243 bonds (distance) P-C4' energy: -151.053 flat angles C4'-P-C4' energy: -153.297 flat angles P-C4'-P energy: -103.637 tors. eta vs tors. theta energy: -95.745 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: 7, replica: 6 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1512.835889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.835889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.835889 (E_RNA) where: Base-Base interactions energy: -941.151 where: short stacking energy: -436.486 Base-Backbone interact. energy: 5.030 local terms energy: -576.714440 where: bonds (distance) C4'-P energy: -145.715 bonds (distance) P-C4' energy: -142.389 flat angles C4'-P-C4' energy: -127.901 flat angles P-C4'-P energy: -81.291 tors. eta vs tors. theta energy: -79.418 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: 7 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -1052.882691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.882691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.882691 (E_RNA) where: Base-Base interactions energy: -566.231 where: short stacking energy: -342.604 Base-Backbone interact. energy: -0.002 local terms energy: -486.649421 where: bonds (distance) C4'-P energy: -142.523 bonds (distance) P-C4' energy: -133.026 flat angles C4'-P-C4' energy: -103.538 flat angles P-C4'-P energy: -62.682 tors. eta vs tors. theta energy: -44.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -913.495939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.495939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.495939 (E_RNA) where: Base-Base interactions energy: -445.079 where: short stacking energy: -251.285 Base-Backbone interact. energy: -0.286 local terms energy: -468.130944 where: bonds (distance) C4'-P energy: -127.402 bonds (distance) P-C4' energy: -131.839 flat angles C4'-P-C4' energy: -121.126 flat angles P-C4'-P energy: -74.374 tors. eta vs tors. theta energy: -13.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -641.685531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.685531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.685531 (E_RNA) where: Base-Base interactions energy: -252.350 where: short stacking energy: -182.021 Base-Backbone interact. energy: 11.490 local terms energy: -400.825475 where: bonds (distance) C4'-P energy: -141.150 bonds (distance) P-C4' energy: -131.200 flat angles C4'-P-C4' energy: -105.245 flat angles P-C4'-P energy: -61.935 tors. eta vs tors. theta energy: 38.703 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: 1, replica: 1 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -2554.458930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.458930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.458930 (E_RNA) where: Base-Base interactions energy: -1755.938 where: short stacking energy: -742.640 Base-Backbone interact. energy: -2.612 local terms energy: -795.908190 where: bonds (distance) C4'-P energy: -160.555 bonds (distance) P-C4' energy: -166.637 flat angles C4'-P-C4' energy: -161.608 flat angles P-C4'-P energy: -107.642 tors. eta vs tors. theta energy: -199.466 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: 2, replica: 4 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -2328.579974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.579974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.579974 (E_RNA) where: Base-Base interactions energy: -1544.160 where: short stacking energy: -670.563 Base-Backbone interact. energy: -0.544 local terms energy: -783.876226 where: bonds (distance) C4'-P energy: -155.286 bonds (distance) P-C4' energy: -168.909 flat angles C4'-P-C4' energy: -159.208 flat angles P-C4'-P energy: -114.209 tors. eta vs tors. theta energy: -186.264 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: 2 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -2217.641479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.641479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.641479 (E_RNA) where: Base-Base interactions energy: -1442.480 where: short stacking energy: -656.067 Base-Backbone interact. energy: -1.378 local terms energy: -773.782736 where: bonds (distance) C4'-P energy: -156.278 bonds (distance) P-C4' energy: -152.074 flat angles C4'-P-C4' energy: -165.962 flat angles P-C4'-P energy: -103.796 tors. eta vs tors. theta energy: -195.672 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: 10 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -2054.845647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.845647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.845647 (E_RNA) where: Base-Base interactions energy: -1359.937 where: short stacking energy: -581.218 Base-Backbone interact. energy: -4.057 local terms energy: -690.851193 where: bonds (distance) C4'-P energy: -170.632 bonds (distance) P-C4' energy: -142.476 flat angles C4'-P-C4' energy: -157.412 flat angles P-C4'-P energy: -80.952 tors. eta vs tors. theta energy: -139.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1898.799484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.799484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.799484 (E_RNA) where: Base-Base interactions energy: -1219.657 where: short stacking energy: -536.807 Base-Backbone interact. energy: -5.924 local terms energy: -673.219262 where: bonds (distance) C4'-P energy: -146.201 bonds (distance) P-C4' energy: -152.275 flat angles C4'-P-C4' energy: -153.562 flat angles P-C4'-P energy: -99.216 tors. eta vs tors. theta energy: -121.966 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: 6, replica: 3 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1572.081001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.081001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.081001 (E_RNA) where: Base-Base interactions energy: -964.077 where: short stacking energy: -469.124 Base-Backbone interact. energy: 0.613 local terms energy: -608.616658 where: bonds (distance) C4'-P energy: -149.018 bonds (distance) P-C4' energy: -120.942 flat angles C4'-P-C4' energy: -139.178 flat angles P-C4'-P energy: -98.021 tors. eta vs tors. theta energy: -101.457 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: 6 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1528.614588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.614588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.614588 (E_RNA) where: Base-Base interactions energy: -963.784 where: short stacking energy: -457.391 Base-Backbone interact. energy: -0.602 local terms energy: -564.227957 where: bonds (distance) C4'-P energy: -126.307 bonds (distance) P-C4' energy: -139.041 flat angles C4'-P-C4' energy: -139.999 flat angles P-C4'-P energy: -75.663 tors. eta vs tors. theta energy: -83.218 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: 7 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1049.711151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.711151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.711151 (E_RNA) where: Base-Base interactions energy: -536.927 where: short stacking energy: -311.718 Base-Backbone interact. energy: -2.453 local terms energy: -510.331288 where: bonds (distance) C4'-P energy: -129.298 bonds (distance) P-C4' energy: -131.835 flat angles C4'-P-C4' energy: -131.135 flat angles P-C4'-P energy: -83.390 tors. eta vs tors. theta energy: -34.673 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: 5 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -938.985011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.985011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.985011 (E_RNA) where: Base-Base interactions energy: -479.240 where: short stacking energy: -276.675 Base-Backbone interact. energy: -1.019 local terms energy: -458.725927 where: bonds (distance) C4'-P energy: -129.404 bonds (distance) P-C4' energy: -116.769 flat angles C4'-P-C4' energy: -132.072 flat angles P-C4'-P energy: -60.507 tors. eta vs tors. theta energy: -19.974 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: 10, replica: 9 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -626.991448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.991448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.991448 (E_RNA) where: Base-Base interactions energy: -232.606 where: short stacking energy: -158.807 Base-Backbone interact. energy: -1.702 local terms energy: -392.683926 where: bonds (distance) C4'-P energy: -122.003 bonds (distance) P-C4' energy: -129.904 flat angles C4'-P-C4' energy: -122.682 flat angles P-C4'-P energy: -61.728 tors. eta vs tors. theta energy: 43.632 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: 1 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2567.512210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.512210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.512210 (E_RNA) where: Base-Base interactions energy: -1759.546 where: short stacking energy: -731.819 Base-Backbone interact. energy: -9.448 local terms energy: -798.518261 where: bonds (distance) C4'-P energy: -160.090 bonds (distance) P-C4' energy: -162.373 flat angles C4'-P-C4' energy: -178.057 flat angles P-C4'-P energy: -94.074 tors. eta vs tors. theta energy: -203.924 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: 2, replica: 4 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -2342.735305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.735305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.735305 (E_RNA) where: Base-Base interactions energy: -1544.538 where: short stacking energy: -674.216 Base-Backbone interact. energy: -1.884 local terms energy: -796.313534 where: bonds (distance) C4'-P energy: -166.918 bonds (distance) P-C4' energy: -149.696 flat angles C4'-P-C4' energy: -166.932 flat angles P-C4'-P energy: -119.633 tors. eta vs tors. theta energy: -193.134 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: 2 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -2238.240207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.240207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.240207 (E_RNA) where: Base-Base interactions energy: -1479.460 where: short stacking energy: -683.430 Base-Backbone interact. energy: -4.094 local terms energy: -754.685512 where: bonds (distance) C4'-P energy: -127.837 bonds (distance) P-C4' energy: -163.539 flat angles C4'-P-C4' energy: -171.697 flat angles P-C4'-P energy: -106.232 tors. eta vs tors. theta energy: -185.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -2082.161630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.161630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.161630 (E_RNA) where: Base-Base interactions energy: -1366.525 where: short stacking energy: -587.890 Base-Backbone interact. energy: -1.470 local terms energy: -714.166329 where: bonds (distance) C4'-P energy: -132.234 bonds (distance) P-C4' energy: -152.632 flat angles C4'-P-C4' energy: -171.278 flat angles P-C4'-P energy: -89.229 tors. eta vs tors. theta energy: -168.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1855.553647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.553647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.553647 (E_RNA) where: Base-Base interactions energy: -1200.986 where: short stacking energy: -556.514 Base-Backbone interact. energy: -0.465 local terms energy: -654.102640 where: bonds (distance) C4'-P energy: -126.125 bonds (distance) P-C4' energy: -146.162 flat angles C4'-P-C4' energy: -154.139 flat angles P-C4'-P energy: -97.228 tors. eta vs tors. theta energy: -130.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1536.945884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.945884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.945884 (E_RNA) where: Base-Base interactions energy: -920.009 where: short stacking energy: -420.680 Base-Backbone interact. energy: -0.163 local terms energy: -616.774660 where: bonds (distance) C4'-P energy: -146.636 bonds (distance) P-C4' energy: -161.873 flat angles C4'-P-C4' energy: -131.259 flat angles P-C4'-P energy: -101.537 tors. eta vs tors. theta energy: -75.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1459.005537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.005537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.005537 (E_RNA) where: Base-Base interactions energy: -903.222 where: short stacking energy: -401.619 Base-Backbone interact. energy: -1.616 local terms energy: -554.167465 where: bonds (distance) C4'-P energy: -127.881 bonds (distance) P-C4' energy: -153.576 flat angles C4'-P-C4' energy: -143.184 flat angles P-C4'-P energy: -61.592 tors. eta vs tors. theta energy: -67.934 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: 8, replica: 7 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -1026.781438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.781438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.781438 (E_RNA) where: Base-Base interactions energy: -519.500 where: short stacking energy: -314.746 Base-Backbone interact. energy: -1.881 local terms energy: -505.400690 where: bonds (distance) C4'-P energy: -105.369 bonds (distance) P-C4' energy: -145.201 flat angles C4'-P-C4' energy: -133.499 flat angles P-C4'-P energy: -76.883 tors. eta vs tors. theta energy: -44.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -955.894661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.894661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.894661 (E_RNA) where: Base-Base interactions energy: -494.008 where: short stacking energy: -303.760 Base-Backbone interact. energy: -1.853 local terms energy: -460.033836 where: bonds (distance) C4'-P energy: -114.527 bonds (distance) P-C4' energy: -150.692 flat angles C4'-P-C4' energy: -107.387 flat angles P-C4'-P energy: -56.044 tors. eta vs tors. theta energy: -31.384 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: 10, replica: 9 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -620.320892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.320892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.320892 (E_RNA) where: Base-Base interactions energy: -204.141 where: short stacking energy: -161.258 Base-Backbone interact. energy: 5.156 local terms energy: -421.335079 where: bonds (distance) C4'-P energy: -125.933 bonds (distance) P-C4' energy: -147.396 flat angles C4'-P-C4' energy: -112.558 flat angles P-C4'-P energy: -61.449 tors. eta vs tors. theta energy: 26.001 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: 1, replica: 1 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -2578.318054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.318054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.318054 (E_RNA) where: Base-Base interactions energy: -1752.315 where: short stacking energy: -740.301 Base-Backbone interact. energy: -4.991 local terms energy: -821.012510 where: bonds (distance) C4'-P energy: -157.783 bonds (distance) P-C4' energy: -159.220 flat angles C4'-P-C4' energy: -173.400 flat angles P-C4'-P energy: -130.246 tors. eta vs tors. theta energy: -200.363 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: 4 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -2346.958706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.958706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.958706 (E_RNA) where: Base-Base interactions energy: -1560.889 where: short stacking energy: -674.711 Base-Backbone interact. energy: 0.081 local terms energy: -786.151078 where: bonds (distance) C4'-P energy: -156.485 bonds (distance) P-C4' energy: -161.837 flat angles C4'-P-C4' energy: -174.520 flat angles P-C4'-P energy: -115.233 tors. eta vs tors. theta energy: -178.075 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: 2 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -2199.417981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.417981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.417981 (E_RNA) where: Base-Base interactions energy: -1469.373 where: short stacking energy: -639.238 Base-Backbone interact. energy: -3.075 local terms energy: -726.970331 where: bonds (distance) C4'-P energy: -135.370 bonds (distance) P-C4' energy: -159.378 flat angles C4'-P-C4' energy: -164.445 flat angles P-C4'-P energy: -97.382 tors. eta vs tors. theta energy: -170.396 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: 10 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -2081.675701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.675701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.675701 (E_RNA) where: Base-Base interactions energy: -1397.216 where: short stacking energy: -579.843 Base-Backbone interact. energy: -2.745 local terms energy: -681.714678 where: bonds (distance) C4'-P energy: -139.523 bonds (distance) P-C4' energy: -132.991 flat angles C4'-P-C4' energy: -147.992 flat angles P-C4'-P energy: -109.534 tors. eta vs tors. theta energy: -151.674 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: 5, replica: 8 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1863.066226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.066226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.066226 (E_RNA) where: Base-Base interactions energy: -1225.225 where: short stacking energy: -532.082 Base-Backbone interact. energy: -2.791 local terms energy: -635.050704 where: bonds (distance) C4'-P energy: -119.891 bonds (distance) P-C4' energy: -138.555 flat angles C4'-P-C4' energy: -153.960 flat angles P-C4'-P energy: -101.688 tors. eta vs tors. theta energy: -120.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1512.335082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.335082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.335082 (E_RNA) where: Base-Base interactions energy: -884.140 where: short stacking energy: -425.688 Base-Backbone interact. energy: -2.861 local terms energy: -625.333864 where: bonds (distance) C4'-P energy: -153.671 bonds (distance) P-C4' energy: -144.575 flat angles C4'-P-C4' energy: -150.833 flat angles P-C4'-P energy: -81.277 tors. eta vs tors. theta energy: -94.979 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: 7, replica: 6 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1484.633878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.633878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.633878 (E_RNA) where: Base-Base interactions energy: -921.063 where: short stacking energy: -451.186 Base-Backbone interact. energy: -1.360 local terms energy: -562.210638 where: bonds (distance) C4'-P energy: -136.933 bonds (distance) P-C4' energy: -125.621 flat angles C4'-P-C4' energy: -138.851 flat angles P-C4'-P energy: -73.213 tors. eta vs tors. theta energy: -87.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1053.800411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.800411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.800411 (E_RNA) where: Base-Base interactions energy: -574.481 where: short stacking energy: -346.533 Base-Backbone interact. energy: -0.354 local terms energy: -478.965496 where: bonds (distance) C4'-P energy: -111.906 bonds (distance) P-C4' energy: -144.484 flat angles C4'-P-C4' energy: -123.182 flat angles P-C4'-P energy: -55.195 tors. eta vs tors. theta energy: -44.198 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: 5 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -1006.146691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.146691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.146691 (E_RNA) where: Base-Base interactions energy: -489.329 where: short stacking energy: -289.705 Base-Backbone interact. energy: -1.468 local terms energy: -515.349777 where: bonds (distance) C4'-P energy: -160.006 bonds (distance) P-C4' energy: -135.878 flat angles C4'-P-C4' energy: -125.971 flat angles P-C4'-P energy: -76.384 tors. eta vs tors. theta energy: -17.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -645.804857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.804857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.804857 (E_RNA) where: Base-Base interactions energy: -209.838 where: short stacking energy: -176.470 Base-Backbone interact. energy: 3.063 local terms energy: -439.029832 where: bonds (distance) C4'-P energy: -128.337 bonds (distance) P-C4' energy: -150.989 flat angles C4'-P-C4' energy: -114.897 flat angles P-C4'-P energy: -75.332 tors. eta vs tors. theta energy: 30.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -2594.246591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.246591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.246591 (E_RNA) where: Base-Base interactions energy: -1774.011 where: short stacking energy: -744.352 Base-Backbone interact. energy: -5.567 local terms energy: -814.667998 where: bonds (distance) C4'-P energy: -171.566 bonds (distance) P-C4' energy: -171.740 flat angles C4'-P-C4' energy: -169.621 flat angles P-C4'-P energy: -101.096 tors. eta vs tors. theta energy: -200.645 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: 4 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -2394.210032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.210032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.210032 (E_RNA) where: Base-Base interactions energy: -1609.847 where: short stacking energy: -697.048 Base-Backbone interact. energy: -5.310 local terms energy: -779.053746 where: bonds (distance) C4'-P energy: -159.857 bonds (distance) P-C4' energy: -164.565 flat angles C4'-P-C4' energy: -166.921 flat angles P-C4'-P energy: -105.973 tors. eta vs tors. theta energy: -181.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -2212.840685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.840685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.840685 (E_RNA) where: Base-Base interactions energy: -1432.239 where: short stacking energy: -648.261 Base-Backbone interact. energy: -3.058 local terms energy: -777.543262 where: bonds (distance) C4'-P energy: -161.041 bonds (distance) P-C4' energy: -142.751 flat angles C4'-P-C4' energy: -178.769 flat angles P-C4'-P energy: -116.895 tors. eta vs tors. theta energy: -178.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -2015.622862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.622862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.622862 (E_RNA) where: Base-Base interactions energy: -1325.072 where: short stacking energy: -550.450 Base-Backbone interact. energy: -2.879 local terms energy: -687.671425 where: bonds (distance) C4'-P energy: -154.205 bonds (distance) P-C4' energy: -157.563 flat angles C4'-P-C4' energy: -159.801 flat angles P-C4'-P energy: -97.703 tors. eta vs tors. theta energy: -118.399 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: 8 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1855.705306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.705306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.705306 (E_RNA) where: Base-Base interactions energy: -1149.610 where: short stacking energy: -519.435 Base-Backbone interact. energy: -3.430 local terms energy: -702.666089 where: bonds (distance) C4'-P energy: -146.589 bonds (distance) P-C4' energy: -149.767 flat angles C4'-P-C4' energy: -165.693 flat angles P-C4'-P energy: -110.697 tors. eta vs tors. theta energy: -129.920 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: 3 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1586.449361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.449361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.449361 (E_RNA) where: Base-Base interactions energy: -954.819 where: short stacking energy: -455.877 Base-Backbone interact. energy: -0.778 local terms energy: -630.851718 where: bonds (distance) C4'-P energy: -136.367 bonds (distance) P-C4' energy: -149.565 flat angles C4'-P-C4' energy: -162.524 flat angles P-C4'-P energy: -92.203 tors. eta vs tors. theta energy: -90.194 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: 7, replica: 6 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1476.109431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.109431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.109431 (E_RNA) where: Base-Base interactions energy: -870.971 where: short stacking energy: -407.430 Base-Backbone interact. energy: 3.419 local terms energy: -608.557137 where: bonds (distance) C4'-P energy: -141.974 bonds (distance) P-C4' energy: -141.000 flat angles C4'-P-C4' energy: -141.218 flat angles P-C4'-P energy: -99.879 tors. eta vs tors. theta energy: -84.487 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: 7 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -1037.728557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.728557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.728557 (E_RNA) where: Base-Base interactions energy: -530.038 where: short stacking energy: -328.467 Base-Backbone interact. energy: 1.915 local terms energy: -509.605619 where: bonds (distance) C4'-P energy: -124.815 bonds (distance) P-C4' energy: -135.260 flat angles C4'-P-C4' energy: -123.368 flat angles P-C4'-P energy: -80.945 tors. eta vs tors. theta energy: -45.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -980.724941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.724941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.724941 (E_RNA) where: Base-Base interactions energy: -488.731 where: short stacking energy: -242.864 Base-Backbone interact. energy: 0.756 local terms energy: -492.750428 where: bonds (distance) C4'-P energy: -148.886 bonds (distance) P-C4' energy: -153.751 flat angles C4'-P-C4' energy: -124.090 flat angles P-C4'-P energy: -69.032 tors. eta vs tors. theta energy: 3.008 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: 9 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -605.406195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.406195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.406195 (E_RNA) where: Base-Base interactions energy: -200.310 where: short stacking energy: -164.663 Base-Backbone interact. energy: 1.015 local terms energy: -406.111196 where: bonds (distance) C4'-P energy: -110.025 bonds (distance) P-C4' energy: -138.687 flat angles C4'-P-C4' energy: -104.923 flat angles P-C4'-P energy: -77.113 tors. eta vs tors. theta energy: 24.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -2625.180041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.180041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.180041 (E_RNA) where: Base-Base interactions energy: -1813.626 where: short stacking energy: -749.574 Base-Backbone interact. energy: -5.001 local terms energy: -806.553045 where: bonds (distance) C4'-P energy: -160.099 bonds (distance) P-C4' energy: -154.519 flat angles C4'-P-C4' energy: -174.796 flat angles P-C4'-P energy: -109.654 tors. eta vs tors. theta energy: -207.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -2414.810344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.810344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.810344 (E_RNA) where: Base-Base interactions energy: -1646.082 where: short stacking energy: -691.233 Base-Backbone interact. energy: -6.533 local terms energy: -762.195083 where: bonds (distance) C4'-P energy: -146.800 bonds (distance) P-C4' energy: -154.581 flat angles C4'-P-C4' energy: -178.273 flat angles P-C4'-P energy: -118.183 tors. eta vs tors. theta energy: -164.359 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: 2 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -2243.408402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.408402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.408402 (E_RNA) where: Base-Base interactions energy: -1477.650 where: short stacking energy: -687.980 Base-Backbone interact. energy: 0.506 local terms energy: -766.264095 where: bonds (distance) C4'-P energy: -145.069 bonds (distance) P-C4' energy: -152.766 flat angles C4'-P-C4' energy: -172.874 flat angles P-C4'-P energy: -99.508 tors. eta vs tors. theta energy: -196.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -2028.108791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.108791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.108791 (E_RNA) where: Base-Base interactions energy: -1346.086 where: short stacking energy: -562.725 Base-Backbone interact. energy: 0.308 local terms energy: -682.331178 where: bonds (distance) C4'-P energy: -144.850 bonds (distance) P-C4' energy: -139.935 flat angles C4'-P-C4' energy: -154.400 flat angles P-C4'-P energy: -111.993 tors. eta vs tors. theta energy: -131.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1896.984756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.984756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.984756 (E_RNA) where: Base-Base interactions energy: -1215.968 where: short stacking energy: -552.321 Base-Backbone interact. energy: -2.717 local terms energy: -678.300055 where: bonds (distance) C4'-P energy: -122.349 bonds (distance) P-C4' energy: -135.082 flat angles C4'-P-C4' energy: -161.930 flat angles P-C4'-P energy: -106.991 tors. eta vs tors. theta energy: -151.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1598.593425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.593425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.593425 (E_RNA) where: Base-Base interactions energy: -952.347 where: short stacking energy: -466.103 Base-Backbone interact. energy: -0.866 local terms energy: -645.380660 where: bonds (distance) C4'-P energy: -152.395 bonds (distance) P-C4' energy: -153.132 flat angles C4'-P-C4' energy: -161.072 flat angles P-C4'-P energy: -90.521 tors. eta vs tors. theta energy: -88.260 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: 6 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1465.967824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.967824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.967824 (E_RNA) where: Base-Base interactions energy: -881.942 where: short stacking energy: -380.713 Base-Backbone interact. energy: -3.927 local terms energy: -580.098915 where: bonds (distance) C4'-P energy: -130.099 bonds (distance) P-C4' energy: -154.979 flat angles C4'-P-C4' energy: -159.461 flat angles P-C4'-P energy: -80.034 tors. eta vs tors. theta energy: -55.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -995.982095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.982095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.982095 (E_RNA) where: Base-Base interactions energy: -508.913 where: short stacking energy: -314.973 Base-Backbone interact. energy: 0.981 local terms energy: -488.049866 where: bonds (distance) C4'-P energy: -116.553 bonds (distance) P-C4' energy: -120.469 flat angles C4'-P-C4' energy: -134.428 flat angles P-C4'-P energy: -86.689 tors. eta vs tors. theta energy: -29.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -999.354334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.354334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.354334 (E_RNA) where: Base-Base interactions energy: -517.415 where: short stacking energy: -274.020 Base-Backbone interact. energy: -3.171 local terms energy: -478.768719 where: bonds (distance) C4'-P energy: -140.666 bonds (distance) P-C4' energy: -146.288 flat angles C4'-P-C4' energy: -119.663 flat angles P-C4'-P energy: -66.915 tors. eta vs tors. theta energy: -5.236 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: 10, replica: 9 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -630.110217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.110217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.110217 (E_RNA) where: Base-Base interactions energy: -256.386 where: short stacking energy: -175.219 Base-Backbone interact. energy: -2.696 local terms energy: -371.027627 where: bonds (distance) C4'-P energy: -91.762 bonds (distance) P-C4' energy: -108.028 flat angles C4'-P-C4' energy: -128.636 flat angles P-C4'-P energy: -76.178 tors. eta vs tors. theta energy: 33.576 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: 1 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -2591.982158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.982158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.982158 (E_RNA) where: Base-Base interactions energy: -1766.312 where: short stacking energy: -779.709 Base-Backbone interact. energy: 2.200 local terms energy: -827.870123 where: bonds (distance) C4'-P energy: -164.624 bonds (distance) P-C4' energy: -155.975 flat angles C4'-P-C4' energy: -181.072 flat angles P-C4'-P energy: -112.271 tors. eta vs tors. theta energy: -213.928 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: 2, replica: 4 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -2426.510566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.510566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.510566 (E_RNA) where: Base-Base interactions energy: -1666.176 where: short stacking energy: -706.224 Base-Backbone interact. energy: 2.902 local terms energy: -763.235836 where: bonds (distance) C4'-P energy: -150.153 bonds (distance) P-C4' energy: -166.106 flat angles C4'-P-C4' energy: -163.248 flat angles P-C4'-P energy: -100.729 tors. eta vs tors. theta energy: -183.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -2262.885076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.885076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.885076 (E_RNA) where: Base-Base interactions energy: -1507.440 where: short stacking energy: -672.057 Base-Backbone interact. energy: 5.832 local terms energy: -761.276781 where: bonds (distance) C4'-P energy: -161.399 bonds (distance) P-C4' energy: -137.516 flat angles C4'-P-C4' energy: -158.569 flat angles P-C4'-P energy: -111.068 tors. eta vs tors. theta energy: -192.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -2027.265759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.265759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.265759 (E_RNA) where: Base-Base interactions energy: -1336.194 where: short stacking energy: -593.515 Base-Backbone interact. energy: 0.459 local terms energy: -691.530020 where: bonds (distance) C4'-P energy: -159.519 bonds (distance) P-C4' energy: -145.483 flat angles C4'-P-C4' energy: -150.460 flat angles P-C4'-P energy: -94.792 tors. eta vs tors. theta energy: -141.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1879.184375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.184375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.184375 (E_RNA) where: Base-Base interactions energy: -1193.812 where: short stacking energy: -553.233 Base-Backbone interact. energy: -3.255 local terms energy: -682.117245 where: bonds (distance) C4'-P energy: -154.859 bonds (distance) P-C4' energy: -139.903 flat angles C4'-P-C4' energy: -156.864 flat angles P-C4'-P energy: -88.222 tors. eta vs tors. theta energy: -142.269 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: 3 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1618.176225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.176225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.176225 (E_RNA) where: Base-Base interactions energy: -1015.310 where: short stacking energy: -489.907 Base-Backbone interact. energy: -0.408 local terms energy: -602.458615 where: bonds (distance) C4'-P energy: -140.332 bonds (distance) P-C4' energy: -144.749 flat angles C4'-P-C4' energy: -134.271 flat angles P-C4'-P energy: -92.577 tors. eta vs tors. theta energy: -90.529 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: 7, replica: 6 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1559.748990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.748990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.748990 (E_RNA) where: Base-Base interactions energy: -969.716 where: short stacking energy: -476.595 Base-Backbone interact. energy: -3.275 local terms energy: -586.757241 where: bonds (distance) C4'-P energy: -117.940 bonds (distance) P-C4' energy: -145.419 flat angles C4'-P-C4' energy: -144.531 flat angles P-C4'-P energy: -87.563 tors. eta vs tors. theta energy: -91.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -1053.885018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.885018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.885018 (E_RNA) where: Base-Base interactions energy: -553.659 where: short stacking energy: -297.637 Base-Backbone interact. energy: -0.128 local terms energy: -500.097960 where: bonds (distance) C4'-P energy: -140.072 bonds (distance) P-C4' energy: -137.871 flat angles C4'-P-C4' energy: -137.853 flat angles P-C4'-P energy: -52.987 tors. eta vs tors. theta energy: -31.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -1002.002329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.002329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.002329 (E_RNA) where: Base-Base interactions energy: -518.257 where: short stacking energy: -265.945 Base-Backbone interact. energy: 1.140 local terms energy: -484.885851 where: bonds (distance) C4'-P energy: -117.644 bonds (distance) P-C4' energy: -146.234 flat angles C4'-P-C4' energy: -123.403 flat angles P-C4'-P energy: -71.771 tors. eta vs tors. theta energy: -25.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -693.425684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.425684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.425684 (E_RNA) where: Base-Base interactions energy: -294.687 where: short stacking energy: -171.379 Base-Backbone interact. energy: 5.171 local terms energy: -403.909624 where: bonds (distance) C4'-P energy: -130.268 bonds (distance) P-C4' energy: -126.528 flat angles C4'-P-C4' energy: -102.087 flat angles P-C4'-P energy: -71.251 tors. eta vs tors. theta energy: 26.225 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: 1 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -2574.400895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.400895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.400895 (E_RNA) where: Base-Base interactions energy: -1758.903 where: short stacking energy: -737.745 Base-Backbone interact. energy: -7.223 local terms energy: -808.274673 where: bonds (distance) C4'-P energy: -152.029 bonds (distance) P-C4' energy: -165.150 flat angles C4'-P-C4' energy: -172.405 flat angles P-C4'-P energy: -102.699 tors. eta vs tors. theta energy: -215.991 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: 2, replica: 4 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -2411.975570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.975570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.975570 (E_RNA) where: Base-Base interactions energy: -1644.141 where: short stacking energy: -714.148 Base-Backbone interact. energy: -10.989 local terms energy: -756.845610 where: bonds (distance) C4'-P energy: -146.913 bonds (distance) P-C4' energy: -137.264 flat angles C4'-P-C4' energy: -177.053 flat angles P-C4'-P energy: -114.335 tors. eta vs tors. theta energy: -181.281 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: 3, replica: 2 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -2238.812140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.812140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.812140 (E_RNA) where: Base-Base interactions energy: -1482.284 where: short stacking energy: -676.750 Base-Backbone interact. energy: -1.974 local terms energy: -754.554019 where: bonds (distance) C4'-P energy: -140.843 bonds (distance) P-C4' energy: -156.205 flat angles C4'-P-C4' energy: -167.810 flat angles P-C4'-P energy: -111.862 tors. eta vs tors. theta energy: -177.834 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: 10 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -2108.979323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.979323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.979323 (E_RNA) where: Base-Base interactions energy: -1417.769 where: short stacking energy: -576.380 Base-Backbone interact. energy: -3.369 local terms energy: -687.841234 where: bonds (distance) C4'-P energy: -144.283 bonds (distance) P-C4' energy: -133.394 flat angles C4'-P-C4' energy: -162.046 flat angles P-C4'-P energy: -86.394 tors. eta vs tors. theta energy: -161.724 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: 8 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1881.544118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.544118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.544118 (E_RNA) where: Base-Base interactions energy: -1213.552 where: short stacking energy: -530.059 Base-Backbone interact. energy: -2.187 local terms energy: -665.806005 where: bonds (distance) C4'-P energy: -127.649 bonds (distance) P-C4' energy: -155.319 flat angles C4'-P-C4' energy: -152.650 flat angles P-C4'-P energy: -94.012 tors. eta vs tors. theta energy: -136.176 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: 6, replica: 3 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1562.835372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.835372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.835372 (E_RNA) where: Base-Base interactions energy: -983.449 where: short stacking energy: -455.970 Base-Backbone interact. energy: -2.662 local terms energy: -576.724327 where: bonds (distance) C4'-P energy: -117.245 bonds (distance) P-C4' energy: -145.617 flat angles C4'-P-C4' energy: -136.149 flat angles P-C4'-P energy: -89.248 tors. eta vs tors. theta energy: -88.465 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: 7, replica: 6 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1629.908812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.908812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.908812 (E_RNA) where: Base-Base interactions energy: -1014.526 where: short stacking energy: -467.431 Base-Backbone interact. energy: 0.554 local terms energy: -615.937058 where: bonds (distance) C4'-P energy: -136.380 bonds (distance) P-C4' energy: -144.416 flat angles C4'-P-C4' energy: -134.368 flat angles P-C4'-P energy: -91.785 tors. eta vs tors. theta energy: -108.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -1074.526685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.526685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.526685 (E_RNA) where: Base-Base interactions energy: -585.324 where: short stacking energy: -335.453 Base-Backbone interact. energy: 0.856 local terms energy: -490.058651 where: bonds (distance) C4'-P energy: -129.088 bonds (distance) P-C4' energy: -124.829 flat angles C4'-P-C4' energy: -124.230 flat angles P-C4'-P energy: -46.113 tors. eta vs tors. theta energy: -65.799 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: 7 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -1010.240343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.240343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.240343 (E_RNA) where: Base-Base interactions energy: -533.046 where: short stacking energy: -305.790 Base-Backbone interact. energy: 1.841 local terms energy: -479.036033 where: bonds (distance) C4'-P energy: -139.436 bonds (distance) P-C4' energy: -140.286 flat angles C4'-P-C4' energy: -92.166 flat angles P-C4'-P energy: -67.680 tors. eta vs tors. theta energy: -39.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -684.462525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.462525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.462525 (E_RNA) where: Base-Base interactions energy: -285.807 where: short stacking energy: -170.902 Base-Backbone interact. energy: 4.911 local terms energy: -403.566419 where: bonds (distance) C4'-P energy: -128.760 bonds (distance) P-C4' energy: -139.365 flat angles C4'-P-C4' energy: -119.247 flat angles P-C4'-P energy: -49.814 tors. eta vs tors. theta energy: 33.619 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: 1 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -2586.805313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.805313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.805313 (E_RNA) where: Base-Base interactions energy: -1732.497 where: short stacking energy: -736.755 Base-Backbone interact. energy: -5.725 local terms energy: -848.582927 where: bonds (distance) C4'-P energy: -170.677 bonds (distance) P-C4' energy: -178.247 flat angles C4'-P-C4' energy: -183.085 flat angles P-C4'-P energy: -116.596 tors. eta vs tors. theta energy: -199.977 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: 4 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -2411.081311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.081311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.081311 (E_RNA) where: Base-Base interactions energy: -1617.488 where: short stacking energy: -689.294 Base-Backbone interact. energy: -8.290 local terms energy: -785.302942 where: bonds (distance) C4'-P energy: -142.639 bonds (distance) P-C4' energy: -157.853 flat angles C4'-P-C4' energy: -175.987 flat angles P-C4'-P energy: -117.300 tors. eta vs tors. theta energy: -191.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -2273.107632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.107632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.107632 (E_RNA) where: Base-Base interactions energy: -1495.054 where: short stacking energy: -689.297 Base-Backbone interact. energy: 1.970 local terms energy: -780.023194 where: bonds (distance) C4'-P energy: -155.337 bonds (distance) P-C4' energy: -146.214 flat angles C4'-P-C4' energy: -170.778 flat angles P-C4'-P energy: -115.861 tors. eta vs tors. theta energy: -191.832 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: 4, replica: 10 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -2076.433715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.433715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.433715 (E_RNA) where: Base-Base interactions energy: -1340.520 where: short stacking energy: -574.119 Base-Backbone interact. energy: -4.209 local terms energy: -731.704931 where: bonds (distance) C4'-P energy: -149.658 bonds (distance) P-C4' energy: -154.161 flat angles C4'-P-C4' energy: -172.801 flat angles P-C4'-P energy: -93.250 tors. eta vs tors. theta energy: -161.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1903.411280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.411280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.411280 (E_RNA) where: Base-Base interactions energy: -1244.370 where: short stacking energy: -514.476 Base-Backbone interact. energy: -1.777 local terms energy: -657.264172 where: bonds (distance) C4'-P energy: -150.888 bonds (distance) P-C4' energy: -155.767 flat angles C4'-P-C4' energy: -133.324 flat angles P-C4'-P energy: -102.690 tors. eta vs tors. theta energy: -114.595 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: 3 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1618.358587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.358587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.358587 (E_RNA) where: Base-Base interactions energy: -965.690 where: short stacking energy: -499.533 Base-Backbone interact. energy: -1.092 local terms energy: -651.576320 where: bonds (distance) C4'-P energy: -127.163 bonds (distance) P-C4' energy: -145.217 flat angles C4'-P-C4' energy: -146.230 flat angles P-C4'-P energy: -100.726 tors. eta vs tors. theta energy: -132.240 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: 6 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1649.837550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.837550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.837550 (E_RNA) where: Base-Base interactions energy: -1023.976 where: short stacking energy: -470.897 Base-Backbone interact. energy: -5.002 local terms energy: -620.859993 where: bonds (distance) C4'-P energy: -131.545 bonds (distance) P-C4' energy: -143.025 flat angles C4'-P-C4' energy: -143.656 flat angles P-C4'-P energy: -82.746 tors. eta vs tors. theta energy: -119.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1080.503072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.503072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.503072 (E_RNA) where: Base-Base interactions energy: -563.242 where: short stacking energy: -308.667 Base-Backbone interact. energy: -1.180 local terms energy: -516.081224 where: bonds (distance) C4'-P energy: -122.735 bonds (distance) P-C4' energy: -140.878 flat angles C4'-P-C4' energy: -141.423 flat angles P-C4'-P energy: -76.366 tors. eta vs tors. theta energy: -34.679 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: 9, replica: 7 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -935.065059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.065059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.065059 (E_RNA) where: Base-Base interactions energy: -468.449 where: short stacking energy: -254.720 Base-Backbone interact. energy: 4.498 local terms energy: -471.114885 where: bonds (distance) C4'-P energy: -142.828 bonds (distance) P-C4' energy: -132.699 flat angles C4'-P-C4' energy: -120.932 flat angles P-C4'-P energy: -62.856 tors. eta vs tors. theta energy: -11.799 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: 9 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -678.854391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.854391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.854391 (E_RNA) where: Base-Base interactions energy: -315.144 where: short stacking energy: -183.931 Base-Backbone interact. energy: 0.014 local terms energy: -363.724431 where: bonds (distance) C4'-P energy: -88.567 bonds (distance) P-C4' energy: -135.341 flat angles C4'-P-C4' energy: -107.438 flat angles P-C4'-P energy: -61.847 tors. eta vs tors. theta energy: 29.468 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: 1, replica: 1 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -2565.417058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.417058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.417058 (E_RNA) where: Base-Base interactions energy: -1751.886 where: short stacking energy: -727.038 Base-Backbone interact. energy: -2.478 local terms energy: -811.053369 where: bonds (distance) C4'-P energy: -159.174 bonds (distance) P-C4' energy: -161.256 flat angles C4'-P-C4' energy: -184.001 flat angles P-C4'-P energy: -102.607 tors. eta vs tors. theta energy: -204.014 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: 4 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -2413.288903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.288903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.288903 (E_RNA) where: Base-Base interactions energy: -1660.079 where: short stacking energy: -699.292 Base-Backbone interact. energy: -4.514 local terms energy: -748.695749 where: bonds (distance) C4'-P energy: -136.219 bonds (distance) P-C4' energy: -150.697 flat angles C4'-P-C4' energy: -171.055 flat angles P-C4'-P energy: -108.911 tors. eta vs tors. theta energy: -181.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -2282.252240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.252240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.252240 (E_RNA) where: Base-Base interactions energy: -1509.055 where: short stacking energy: -645.581 Base-Backbone interact. energy: -3.136 local terms energy: -770.060735 where: bonds (distance) C4'-P energy: -140.368 bonds (distance) P-C4' energy: -159.152 flat angles C4'-P-C4' energy: -184.504 flat angles P-C4'-P energy: -117.968 tors. eta vs tors. theta energy: -168.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -2032.590461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.590461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.590461 (E_RNA) where: Base-Base interactions energy: -1296.221 where: short stacking energy: -589.321 Base-Backbone interact. energy: -3.586 local terms energy: -732.783030 where: bonds (distance) C4'-P energy: -133.506 bonds (distance) P-C4' energy: -157.667 flat angles C4'-P-C4' energy: -174.991 flat angles P-C4'-P energy: -96.089 tors. eta vs tors. theta energy: -170.530 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: 10 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1965.910323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.910323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.910323 (E_RNA) where: Base-Base interactions energy: -1290.684 where: short stacking energy: -532.753 Base-Backbone interact. energy: 3.447 local terms energy: -678.673460 where: bonds (distance) C4'-P energy: -144.270 bonds (distance) P-C4' energy: -157.189 flat angles C4'-P-C4' energy: -141.807 flat angles P-C4'-P energy: -107.783 tors. eta vs tors. theta energy: -127.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1701.532976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.532976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.532976 (E_RNA) where: Base-Base interactions energy: -1055.649 where: short stacking energy: -513.616 Base-Backbone interact. energy: -1.559 local terms energy: -644.324169 where: bonds (distance) C4'-P energy: -132.740 bonds (distance) P-C4' energy: -155.061 flat angles C4'-P-C4' energy: -149.492 flat angles P-C4'-P energy: -91.042 tors. eta vs tors. theta energy: -115.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1568.636325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.636325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.636325 (E_RNA) where: Base-Base interactions energy: -945.357 where: short stacking energy: -443.363 Base-Backbone interact. energy: 2.096 local terms energy: -625.374808 where: bonds (distance) C4'-P energy: -154.922 bonds (distance) P-C4' energy: -136.340 flat angles C4'-P-C4' energy: -148.624 flat angles P-C4'-P energy: -83.470 tors. eta vs tors. theta energy: -102.019 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: 8, replica: 7 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1004.616314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.616314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.616314 (E_RNA) where: Base-Base interactions energy: -523.769 where: short stacking energy: -277.008 Base-Backbone interact. energy: 2.624 local terms energy: -483.470807 where: bonds (distance) C4'-P energy: -139.483 bonds (distance) P-C4' energy: -147.340 flat angles C4'-P-C4' energy: -108.765 flat angles P-C4'-P energy: -69.009 tors. eta vs tors. theta energy: -18.874 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: 5 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -955.600532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.600532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.600532 (E_RNA) where: Base-Base interactions energy: -489.952 where: short stacking energy: -237.204 Base-Backbone interact. energy: 4.478 local terms energy: -470.126386 where: bonds (distance) C4'-P energy: -143.922 bonds (distance) P-C4' energy: -124.636 flat angles C4'-P-C4' energy: -137.688 flat angles P-C4'-P energy: -55.015 tors. eta vs tors. theta energy: -8.865 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: 9 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -647.561540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.561540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.561540 (E_RNA) where: Base-Base interactions energy: -267.597 where: short stacking energy: -180.715 Base-Backbone interact. energy: -1.534 local terms energy: -378.430496 where: bonds (distance) C4'-P energy: -123.887 bonds (distance) P-C4' energy: -137.928 flat angles C4'-P-C4' energy: -101.107 flat angles P-C4'-P energy: -57.713 tors. eta vs tors. theta energy: 42.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -2550.803701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.803701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.803701 (E_RNA) where: Base-Base interactions energy: -1734.435 where: short stacking energy: -704.198 Base-Backbone interact. energy: -4.845 local terms energy: -811.523166 where: bonds (distance) C4'-P energy: -158.078 bonds (distance) P-C4' energy: -157.189 flat angles C4'-P-C4' energy: -185.989 flat angles P-C4'-P energy: -107.498 tors. eta vs tors. theta energy: -202.769 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: 4 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -2442.248427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.248427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.248427 (E_RNA) where: Base-Base interactions energy: -1669.052 where: short stacking energy: -703.703 Base-Backbone interact. energy: -2.505 local terms energy: -770.691904 where: bonds (distance) C4'-P energy: -146.096 bonds (distance) P-C4' energy: -163.360 flat angles C4'-P-C4' energy: -166.546 flat angles P-C4'-P energy: -111.005 tors. eta vs tors. theta energy: -183.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -2306.125172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.125172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.125172 (E_RNA) where: Base-Base interactions energy: -1520.474 where: short stacking energy: -676.472 Base-Backbone interact. energy: -1.931 local terms energy: -783.720698 where: bonds (distance) C4'-P energy: -155.775 bonds (distance) P-C4' energy: -160.308 flat angles C4'-P-C4' energy: -173.697 flat angles P-C4'-P energy: -113.695 tors. eta vs tors. theta energy: -180.245 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: 4, replica: 8 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -2027.226285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.226285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.226285 (E_RNA) where: Base-Base interactions energy: -1327.656 where: short stacking energy: -603.615 Base-Backbone interact. energy: 2.284 local terms energy: -701.855143 where: bonds (distance) C4'-P energy: -127.209 bonds (distance) P-C4' energy: -145.972 flat angles C4'-P-C4' energy: -168.223 flat angles P-C4'-P energy: -106.802 tors. eta vs tors. theta energy: -153.649 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: 5, replica: 10 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1872.210820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.210820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.210820 (E_RNA) where: Base-Base interactions energy: -1213.970 where: short stacking energy: -518.152 Base-Backbone interact. energy: -3.440 local terms energy: -654.800840 where: bonds (distance) C4'-P energy: -129.211 bonds (distance) P-C4' energy: -145.631 flat angles C4'-P-C4' energy: -141.423 flat angles P-C4'-P energy: -111.013 tors. eta vs tors. theta energy: -127.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1616.332776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.332776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.332776 (E_RNA) where: Base-Base interactions energy: -996.400 where: short stacking energy: -482.675 Base-Backbone interact. energy: 0.834 local terms energy: -620.766419 where: bonds (distance) C4'-P energy: -140.214 bonds (distance) P-C4' energy: -162.095 flat angles C4'-P-C4' energy: -131.161 flat angles P-C4'-P energy: -80.838 tors. eta vs tors. theta energy: -106.459 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: 6 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1520.574258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.574258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.574258 (E_RNA) where: Base-Base interactions energy: -936.431 where: short stacking energy: -432.605 Base-Backbone interact. energy: -3.003 local terms energy: -581.140320 where: bonds (distance) C4'-P energy: -138.845 bonds (distance) P-C4' energy: -154.761 flat angles C4'-P-C4' energy: -126.026 flat angles P-C4'-P energy: -73.509 tors. eta vs tors. theta energy: -87.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -982.713599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.713599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.713599 (E_RNA) where: Base-Base interactions energy: -529.077 where: short stacking energy: -269.355 Base-Backbone interact. energy: 2.185 local terms energy: -455.821737 where: bonds (distance) C4'-P energy: -140.477 bonds (distance) P-C4' energy: -140.376 flat angles C4'-P-C4' energy: -101.983 flat angles P-C4'-P energy: -61.418 tors. eta vs tors. theta energy: -11.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -962.759952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.759952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.759952 (E_RNA) where: Base-Base interactions energy: -527.054 where: short stacking energy: -317.453 Base-Backbone interact. energy: 16.040 local terms energy: -451.746137 where: bonds (distance) C4'-P energy: -114.367 bonds (distance) P-C4' energy: -129.496 flat angles C4'-P-C4' energy: -109.219 flat angles P-C4'-P energy: -82.537 tors. eta vs tors. theta energy: -16.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -626.029720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.029720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.029720 (E_RNA) where: Base-Base interactions energy: -242.457 where: short stacking energy: -176.124 Base-Backbone interact. energy: -6.019 local terms energy: -377.553103 where: bonds (distance) C4'-P energy: -108.078 bonds (distance) P-C4' energy: -132.963 flat angles C4'-P-C4' energy: -90.427 flat angles P-C4'-P energy: -68.231 tors. eta vs tors. theta energy: 22.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -2559.019015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.019015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.019015 (E_RNA) where: Base-Base interactions energy: -1744.882 where: short stacking energy: -730.889 Base-Backbone interact. energy: -5.701 local terms energy: -808.435866 where: bonds (distance) C4'-P energy: -158.304 bonds (distance) P-C4' energy: -152.335 flat angles C4'-P-C4' energy: -191.352 flat angles P-C4'-P energy: -98.510 tors. eta vs tors. theta energy: -207.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -2410.716136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.716136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.716136 (E_RNA) where: Base-Base interactions energy: -1633.192 where: short stacking energy: -695.188 Base-Backbone interact. energy: -2.754 local terms energy: -774.769908 where: bonds (distance) C4'-P energy: -156.620 bonds (distance) P-C4' energy: -156.479 flat angles C4'-P-C4' energy: -175.908 flat angles P-C4'-P energy: -109.831 tors. eta vs tors. theta energy: -175.932 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: 2 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -2323.293555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.293555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.293555 (E_RNA) where: Base-Base interactions energy: -1565.539 where: short stacking energy: -687.685 Base-Backbone interact. energy: -3.564 local terms energy: -754.189888 where: bonds (distance) C4'-P energy: -143.328 bonds (distance) P-C4' energy: -152.285 flat angles C4'-P-C4' energy: -176.932 flat angles P-C4'-P energy: -106.143 tors. eta vs tors. theta energy: -175.502 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: 8 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -2065.162530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.162530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.162530 (E_RNA) where: Base-Base interactions energy: -1314.179 where: short stacking energy: -594.950 Base-Backbone interact. energy: 0.474 local terms energy: -751.457167 where: bonds (distance) C4'-P energy: -150.391 bonds (distance) P-C4' energy: -164.576 flat angles C4'-P-C4' energy: -166.481 flat angles P-C4'-P energy: -99.900 tors. eta vs tors. theta energy: -170.110 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: 5, replica: 10 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1978.073013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.073013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.073013 (E_RNA) where: Base-Base interactions energy: -1246.391 where: short stacking energy: -554.500 Base-Backbone interact. energy: -4.513 local terms energy: -727.169074 where: bonds (distance) C4'-P energy: -147.889 bonds (distance) P-C4' energy: -148.834 flat angles C4'-P-C4' energy: -181.834 flat angles P-C4'-P energy: -92.219 tors. eta vs tors. theta energy: -156.392 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: 3 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1573.279816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.279816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.279816 (E_RNA) where: Base-Base interactions energy: -947.317 where: short stacking energy: -458.177 Base-Backbone interact. energy: -2.907 local terms energy: -623.056518 where: bonds (distance) C4'-P energy: -139.546 bonds (distance) P-C4' energy: -144.830 flat angles C4'-P-C4' energy: -153.684 flat angles P-C4'-P energy: -93.205 tors. eta vs tors. theta energy: -91.792 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: 6 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1468.612556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.612556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.612556 (E_RNA) where: Base-Base interactions energy: -873.983 where: short stacking energy: -411.541 Base-Backbone interact. energy: -2.707 local terms energy: -591.922064 where: bonds (distance) C4'-P energy: -133.795 bonds (distance) P-C4' energy: -141.683 flat angles C4'-P-C4' energy: -146.730 flat angles P-C4'-P energy: -90.369 tors. eta vs tors. theta energy: -79.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1026.181255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.181255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.181255 (E_RNA) where: Base-Base interactions energy: -536.081 where: short stacking energy: -312.102 Base-Backbone interact. energy: 2.772 local terms energy: -492.871886 where: bonds (distance) C4'-P energy: -125.839 bonds (distance) P-C4' energy: -150.140 flat angles C4'-P-C4' energy: -124.566 flat angles P-C4'-P energy: -61.565 tors. eta vs tors. theta energy: -30.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -934.048427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.048427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.048427 (E_RNA) where: Base-Base interactions energy: -434.244 where: short stacking energy: -265.502 Base-Backbone interact. energy: -1.095 local terms energy: -498.709547 where: bonds (distance) C4'-P energy: -149.335 bonds (distance) P-C4' energy: -124.027 flat angles C4'-P-C4' energy: -130.353 flat angles P-C4'-P energy: -82.387 tors. eta vs tors. theta energy: -12.608 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: 9 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -583.867077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.867077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.867077 (E_RNA) where: Base-Base interactions energy: -196.145 where: short stacking energy: -179.968 Base-Backbone interact. energy: -2.340 local terms energy: -385.382254 where: bonds (distance) C4'-P energy: -122.716 bonds (distance) P-C4' energy: -139.268 flat angles C4'-P-C4' energy: -95.441 flat angles P-C4'-P energy: -49.769 tors. eta vs tors. theta energy: 21.811 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: 1 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -2595.185998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.185998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.185998 (E_RNA) where: Base-Base interactions energy: -1797.341 where: short stacking energy: -749.568 Base-Backbone interact. energy: -7.808 local terms energy: -790.036646 where: bonds (distance) C4'-P energy: -155.874 bonds (distance) P-C4' energy: -151.185 flat angles C4'-P-C4' energy: -174.051 flat angles P-C4'-P energy: -104.400 tors. eta vs tors. theta energy: -204.526 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: 4 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -2403.644008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.644008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.644008 (E_RNA) where: Base-Base interactions energy: -1620.633 where: short stacking energy: -662.013 Base-Backbone interact. energy: -7.271 local terms energy: -775.740435 where: bonds (distance) C4'-P energy: -164.317 bonds (distance) P-C4' energy: -156.204 flat angles C4'-P-C4' energy: -177.140 flat angles P-C4'-P energy: -107.814 tors. eta vs tors. theta energy: -170.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -2340.946182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.946182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.946182 (E_RNA) where: Base-Base interactions energy: -1576.173 where: short stacking energy: -693.622 Base-Backbone interact. energy: 1.169 local terms energy: -765.941657 where: bonds (distance) C4'-P energy: -145.599 bonds (distance) P-C4' energy: -149.009 flat angles C4'-P-C4' energy: -165.148 flat angles P-C4'-P energy: -105.508 tors. eta vs tors. theta energy: -200.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -2041.961952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.961952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.961952 (E_RNA) where: Base-Base interactions energy: -1296.478 where: short stacking energy: -580.741 Base-Backbone interact. energy: -1.889 local terms energy: -743.595850 where: bonds (distance) C4'-P energy: -148.588 bonds (distance) P-C4' energy: -154.378 flat angles C4'-P-C4' energy: -171.583 flat angles P-C4'-P energy: -110.071 tors. eta vs tors. theta energy: -158.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1929.815936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.815936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.815936 (E_RNA) where: Base-Base interactions energy: -1264.085 where: short stacking energy: -567.647 Base-Backbone interact. energy: -1.713 local terms energy: -664.017115 where: bonds (distance) C4'-P energy: -146.913 bonds (distance) P-C4' energy: -135.309 flat angles C4'-P-C4' energy: -152.220 flat angles P-C4'-P energy: -95.831 tors. eta vs tors. theta energy: -133.745 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: 3 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1630.978140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.978140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.978140 (E_RNA) where: Base-Base interactions energy: -1018.542 where: short stacking energy: -486.934 Base-Backbone interact. energy: 5.028 local terms energy: -617.463405 where: bonds (distance) C4'-P energy: -132.639 bonds (distance) P-C4' energy: -141.826 flat angles C4'-P-C4' energy: -149.091 flat angles P-C4'-P energy: -87.982 tors. eta vs tors. theta energy: -105.925 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: 6 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1445.838195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.838195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.838195 (E_RNA) where: Base-Base interactions energy: -892.650 where: short stacking energy: -411.607 Base-Backbone interact. energy: -3.693 local terms energy: -549.495265 where: bonds (distance) C4'-P energy: -137.359 bonds (distance) P-C4' energy: -129.466 flat angles C4'-P-C4' energy: -126.001 flat angles P-C4'-P energy: -86.100 tors. eta vs tors. theta energy: -70.569 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: 8, replica: 5 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -970.371166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.371166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.371166 (E_RNA) where: Base-Base interactions energy: -470.542 where: short stacking energy: -267.989 Base-Backbone interact. energy: 2.094 local terms energy: -501.922212 where: bonds (distance) C4'-P energy: -145.272 bonds (distance) P-C4' energy: -145.267 flat angles C4'-P-C4' energy: -132.224 flat angles P-C4'-P energy: -76.258 tors. eta vs tors. theta energy: -2.902 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: 9, replica: 7 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -895.970202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.970202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.970202 (E_RNA) where: Base-Base interactions energy: -444.925 where: short stacking energy: -239.379 Base-Backbone interact. energy: 4.893 local terms energy: -455.938211 where: bonds (distance) C4'-P energy: -118.556 bonds (distance) P-C4' energy: -126.755 flat angles C4'-P-C4' energy: -115.497 flat angles P-C4'-P energy: -74.996 tors. eta vs tors. theta energy: -20.134 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: 10, replica: 9 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -642.318169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.318169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.318169 (E_RNA) where: Base-Base interactions energy: -266.141 where: short stacking energy: -165.637 Base-Backbone interact. energy: 6.849 local terms energy: -383.026121 where: bonds (distance) C4'-P energy: -125.055 bonds (distance) P-C4' energy: -145.769 flat angles C4'-P-C4' energy: -92.056 flat angles P-C4'-P energy: -64.514 tors. eta vs tors. theta energy: 44.367 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: 1 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -2587.248952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.248952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.248952 (E_RNA) where: Base-Base interactions energy: -1761.288 where: short stacking energy: -745.826 Base-Backbone interact. energy: 0.013 local terms energy: -825.973882 where: bonds (distance) C4'-P energy: -166.543 bonds (distance) P-C4' energy: -166.367 flat angles C4'-P-C4' energy: -171.469 flat angles P-C4'-P energy: -108.529 tors. eta vs tors. theta energy: -213.065 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: 4 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -2384.577488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.577488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.577488 (E_RNA) where: Base-Base interactions energy: -1614.377 where: short stacking energy: -685.751 Base-Backbone interact. energy: -4.850 local terms energy: -765.350252 where: bonds (distance) C4'-P energy: -150.806 bonds (distance) P-C4' energy: -156.931 flat angles C4'-P-C4' energy: -172.828 flat angles P-C4'-P energy: -96.542 tors. eta vs tors. theta energy: -188.243 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: 2 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -2275.450267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.450267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.450267 (E_RNA) where: Base-Base interactions energy: -1514.937 where: short stacking energy: -683.967 Base-Backbone interact. energy: 0.034 local terms energy: -760.548037 where: bonds (distance) C4'-P energy: -144.732 bonds (distance) P-C4' energy: -144.668 flat angles C4'-P-C4' energy: -153.038 flat angles P-C4'-P energy: -124.707 tors. eta vs tors. theta energy: -193.403 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: 8 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -2081.023243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.023243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.023243 (E_RNA) where: Base-Base interactions energy: -1354.463 where: short stacking energy: -630.352 Base-Backbone interact. energy: -4.881 local terms energy: -721.678983 where: bonds (distance) C4'-P energy: -138.700 bonds (distance) P-C4' energy: -156.970 flat angles C4'-P-C4' energy: -167.984 flat angles P-C4'-P energy: -104.441 tors. eta vs tors. theta energy: -153.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1943.627130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.627130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.627130 (E_RNA) where: Base-Base interactions energy: -1281.398 where: short stacking energy: -578.533 Base-Backbone interact. energy: -2.802 local terms energy: -659.427273 where: bonds (distance) C4'-P energy: -136.859 bonds (distance) P-C4' energy: -144.619 flat angles C4'-P-C4' energy: -157.748 flat angles P-C4'-P energy: -77.568 tors. eta vs tors. theta energy: -142.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1627.904677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.904677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.904677 (E_RNA) where: Base-Base interactions energy: -1020.479 where: short stacking energy: -466.599 Base-Backbone interact. energy: 0.435 local terms energy: -607.861067 where: bonds (distance) C4'-P energy: -137.136 bonds (distance) P-C4' energy: -138.991 flat angles C4'-P-C4' energy: -149.533 flat angles P-C4'-P energy: -77.294 tors. eta vs tors. theta energy: -104.907 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: 6 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1423.526660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.526660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.526660 (E_RNA) where: Base-Base interactions energy: -871.909 where: short stacking energy: -420.394 Base-Backbone interact. energy: 1.815 local terms energy: -553.432967 where: bonds (distance) C4'-P energy: -113.564 bonds (distance) P-C4' energy: -142.669 flat angles C4'-P-C4' energy: -136.056 flat angles P-C4'-P energy: -91.603 tors. eta vs tors. theta energy: -69.542 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: 8, replica: 5 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -988.410126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.410126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.410126 (E_RNA) where: Base-Base interactions energy: -522.123 where: short stacking energy: -325.780 Base-Backbone interact. energy: 5.564 local terms energy: -471.850889 where: bonds (distance) C4'-P energy: -127.011 bonds (distance) P-C4' energy: -148.628 flat angles C4'-P-C4' energy: -109.176 flat angles P-C4'-P energy: -75.415 tors. eta vs tors. theta energy: -11.622 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: 9, replica: 7 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -879.869888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.869888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.869888 (E_RNA) where: Base-Base interactions energy: -417.033 where: short stacking energy: -225.657 Base-Backbone interact. energy: -1.114 local terms energy: -461.722837 where: bonds (distance) C4'-P energy: -123.210 bonds (distance) P-C4' energy: -148.496 flat angles C4'-P-C4' energy: -111.507 flat angles P-C4'-P energy: -74.332 tors. eta vs tors. theta energy: -4.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -654.185639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.185639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.185639 (E_RNA) where: Base-Base interactions energy: -258.813 where: short stacking energy: -195.630 Base-Backbone interact. energy: -2.649 local terms energy: -392.723807 where: bonds (distance) C4'-P energy: -124.463 bonds (distance) P-C4' energy: -123.012 flat angles C4'-P-C4' energy: -106.589 flat angles P-C4'-P energy: -64.522 tors. eta vs tors. theta energy: 25.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -2591.772292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.772292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.772292 (E_RNA) where: Base-Base interactions energy: -1726.651 where: short stacking energy: -744.812 Base-Backbone interact. energy: -2.514 local terms energy: -862.606718 where: bonds (distance) C4'-P energy: -168.406 bonds (distance) P-C4' energy: -178.549 flat angles C4'-P-C4' energy: -188.638 flat angles P-C4'-P energy: -113.703 tors. eta vs tors. theta energy: -213.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -2396.464904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.464904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.464904 (E_RNA) where: Base-Base interactions energy: -1616.242 where: short stacking energy: -672.315 Base-Backbone interact. energy: -0.748 local terms energy: -779.474365 where: bonds (distance) C4'-P energy: -149.800 bonds (distance) P-C4' energy: -165.209 flat angles C4'-P-C4' energy: -165.586 flat angles P-C4'-P energy: -128.013 tors. eta vs tors. theta energy: -170.867 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: 2 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -2251.407757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.407757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.407757 (E_RNA) where: Base-Base interactions energy: -1502.884 where: short stacking energy: -649.614 Base-Backbone interact. energy: -5.089 local terms energy: -743.434738 where: bonds (distance) C4'-P energy: -164.500 bonds (distance) P-C4' energy: -143.853 flat angles C4'-P-C4' energy: -155.397 flat angles P-C4'-P energy: -105.384 tors. eta vs tors. theta energy: -174.300 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: 4, replica: 8 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -2070.051051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.051051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.051051 (E_RNA) where: Base-Base interactions energy: -1369.012 where: short stacking energy: -596.007 Base-Backbone interact. energy: -4.322 local terms energy: -696.716976 where: bonds (distance) C4'-P energy: -132.601 bonds (distance) P-C4' energy: -159.445 flat angles C4'-P-C4' energy: -160.767 flat angles P-C4'-P energy: -93.280 tors. eta vs tors. theta energy: -150.625 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: 10 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1983.540263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.540263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.540263 (E_RNA) where: Base-Base interactions energy: -1290.717 where: short stacking energy: -570.426 Base-Backbone interact. energy: 2.325 local terms energy: -695.148426 where: bonds (distance) C4'-P energy: -148.495 bonds (distance) P-C4' energy: -138.574 flat angles C4'-P-C4' energy: -154.631 flat angles P-C4'-P energy: -96.353 tors. eta vs tors. theta energy: -157.097 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: 3 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1599.337195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.337195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.337195 (E_RNA) where: Base-Base interactions energy: -1030.889 where: short stacking energy: -474.807 Base-Backbone interact. energy: -0.074 local terms energy: -568.373379 where: bonds (distance) C4'-P energy: -128.208 bonds (distance) P-C4' energy: -138.231 flat angles C4'-P-C4' energy: -123.683 flat angles P-C4'-P energy: -82.775 tors. eta vs tors. theta energy: -95.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1404.304875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.304875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.304875 (E_RNA) where: Base-Base interactions energy: -891.318 where: short stacking energy: -416.801 Base-Backbone interact. energy: 8.180 local terms energy: -521.166945 where: bonds (distance) C4'-P energy: -116.519 bonds (distance) P-C4' energy: -150.938 flat angles C4'-P-C4' energy: -132.829 flat angles P-C4'-P energy: -64.732 tors. eta vs tors. theta energy: -56.149 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: 8, replica: 5 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1043.890679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.890679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.890679 (E_RNA) where: Base-Base interactions energy: -518.946 where: short stacking energy: -309.954 Base-Backbone interact. energy: -1.562 local terms energy: -523.382044 where: bonds (distance) C4'-P energy: -119.063 bonds (distance) P-C4' energy: -139.525 flat angles C4'-P-C4' energy: -151.307 flat angles P-C4'-P energy: -85.330 tors. eta vs tors. theta energy: -28.157 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: 9, replica: 7 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -942.270071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.270071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.270071 (E_RNA) where: Base-Base interactions energy: -476.631 where: short stacking energy: -269.891 Base-Backbone interact. energy: -0.071 local terms energy: -465.568266 where: bonds (distance) C4'-P energy: -122.430 bonds (distance) P-C4' energy: -138.389 flat angles C4'-P-C4' energy: -119.411 flat angles P-C4'-P energy: -64.567 tors. eta vs tors. theta energy: -20.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -701.905063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.905063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.905063 (E_RNA) where: Base-Base interactions energy: -321.512 where: short stacking energy: -200.328 Base-Backbone interact. energy: -2.462 local terms energy: -377.931580 where: bonds (distance) C4'-P energy: -130.551 bonds (distance) P-C4' energy: -122.982 flat angles C4'-P-C4' energy: -106.247 flat angles P-C4'-P energy: -48.717 tors. eta vs tors. theta energy: 30.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2583.679642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.679642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.679642 (E_RNA) where: Base-Base interactions energy: -1750.678 where: short stacking energy: -732.415 Base-Backbone interact. energy: -2.906 local terms energy: -830.096152 where: bonds (distance) C4'-P energy: -162.483 bonds (distance) P-C4' energy: -178.812 flat angles C4'-P-C4' energy: -176.753 flat angles P-C4'-P energy: -107.268 tors. eta vs tors. theta energy: -204.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -2435.920957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.920957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.920957 (E_RNA) where: Base-Base interactions energy: -1662.135 where: short stacking energy: -717.490 Base-Backbone interact. energy: -4.192 local terms energy: -769.594560 where: bonds (distance) C4'-P energy: -149.107 bonds (distance) P-C4' energy: -143.850 flat angles C4'-P-C4' energy: -176.724 flat angles P-C4'-P energy: -105.742 tors. eta vs tors. theta energy: -194.171 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: 2 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -2329.064517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.064517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.064517 (E_RNA) where: Base-Base interactions energy: -1548.268 where: short stacking energy: -685.225 Base-Backbone interact. energy: -0.475 local terms energy: -780.321148 where: bonds (distance) C4'-P energy: -152.425 bonds (distance) P-C4' energy: -156.272 flat angles C4'-P-C4' energy: -165.045 flat angles P-C4'-P energy: -119.816 tors. eta vs tors. theta energy: -186.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -2136.797357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.797357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.797357 (E_RNA) where: Base-Base interactions energy: -1378.680 where: short stacking energy: -620.306 Base-Backbone interact. energy: -2.453 local terms energy: -755.664998 where: bonds (distance) C4'-P energy: -166.401 bonds (distance) P-C4' energy: -140.964 flat angles C4'-P-C4' energy: -169.841 flat angles P-C4'-P energy: -106.882 tors. eta vs tors. theta energy: -171.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -1875.332464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.332464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.332464 (E_RNA) where: Base-Base interactions energy: -1205.127 where: short stacking energy: -521.033 Base-Backbone interact. energy: -3.834 local terms energy: -666.371012 where: bonds (distance) C4'-P energy: -155.509 bonds (distance) P-C4' energy: -136.982 flat angles C4'-P-C4' energy: -166.789 flat angles P-C4'-P energy: -80.078 tors. eta vs tors. theta energy: -127.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1566.174604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.174604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.174604 (E_RNA) where: Base-Base interactions energy: -993.903 where: short stacking energy: -460.047 Base-Backbone interact. energy: -1.594 local terms energy: -570.677596 where: bonds (distance) C4'-P energy: -137.908 bonds (distance) P-C4' energy: -140.195 flat angles C4'-P-C4' energy: -132.294 flat angles P-C4'-P energy: -77.800 tors. eta vs tors. theta energy: -82.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1449.370927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.370927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.370927 (E_RNA) where: Base-Base interactions energy: -868.442 where: short stacking energy: -417.879 Base-Backbone interact. energy: 0.595 local terms energy: -581.524231 where: bonds (distance) C4'-P energy: -131.213 bonds (distance) P-C4' energy: -143.222 flat angles C4'-P-C4' energy: -148.991 flat angles P-C4'-P energy: -80.089 tors. eta vs tors. theta energy: -78.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1064.939703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.939703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.939703 (E_RNA) where: Base-Base interactions energy: -559.413 where: short stacking energy: -329.939 Base-Backbone interact. energy: 2.310 local terms energy: -507.836699 where: bonds (distance) C4'-P energy: -123.329 bonds (distance) P-C4' energy: -138.433 flat angles C4'-P-C4' energy: -138.332 flat angles P-C4'-P energy: -86.706 tors. eta vs tors. theta energy: -21.037 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: 9, replica: 7 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -921.388589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.388589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.388589 (E_RNA) where: Base-Base interactions energy: -473.046 where: short stacking energy: -281.827 Base-Backbone interact. energy: 6.271 local terms energy: -454.613425 where: bonds (distance) C4'-P energy: -115.850 bonds (distance) P-C4' energy: -125.287 flat angles C4'-P-C4' energy: -121.391 flat angles P-C4'-P energy: -70.045 tors. eta vs tors. theta energy: -22.041 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: 10, replica: 9 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -679.460232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.460232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.460232 (E_RNA) where: Base-Base interactions energy: -265.243 where: short stacking energy: -190.036 Base-Backbone interact. energy: -0.237 local terms energy: -413.980068 where: bonds (distance) C4'-P energy: -122.504 bonds (distance) P-C4' energy: -130.272 flat angles C4'-P-C4' energy: -115.670 flat angles P-C4'-P energy: -73.287 tors. eta vs tors. theta energy: 27.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -2614.312367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.312367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.312367 (E_RNA) where: Base-Base interactions energy: -1753.029 where: short stacking energy: -734.187 Base-Backbone interact. energy: -6.025 local terms energy: -855.258697 where: bonds (distance) C4'-P energy: -176.135 bonds (distance) P-C4' energy: -153.060 flat angles C4'-P-C4' energy: -183.818 flat angles P-C4'-P energy: -125.523 tors. eta vs tors. theta energy: -216.723 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: 4 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -2499.850438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.850438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.850438 (E_RNA) where: Base-Base interactions energy: -1676.756 where: short stacking energy: -752.806 Base-Backbone interact. energy: -2.075 local terms energy: -821.019806 where: bonds (distance) C4'-P energy: -155.465 bonds (distance) P-C4' energy: -155.836 flat angles C4'-P-C4' energy: -183.852 flat angles P-C4'-P energy: -122.484 tors. eta vs tors. theta energy: -203.383 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: 3, replica: 2 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -2300.203916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.203916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.203916 (E_RNA) where: Base-Base interactions energy: -1540.725 where: short stacking energy: -682.422 Base-Backbone interact. energy: -4.331 local terms energy: -755.147745 where: bonds (distance) C4'-P energy: -134.354 bonds (distance) P-C4' energy: -176.375 flat angles C4'-P-C4' energy: -167.047 flat angles P-C4'-P energy: -101.781 tors. eta vs tors. theta energy: -175.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -2103.148499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.148499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.148499 (E_RNA) where: Base-Base interactions energy: -1365.656 where: short stacking energy: -613.442 Base-Backbone interact. energy: -3.757 local terms energy: -733.735455 where: bonds (distance) C4'-P energy: -140.651 bonds (distance) P-C4' energy: -166.772 flat angles C4'-P-C4' energy: -149.229 flat angles P-C4'-P energy: -106.692 tors. eta vs tors. theta energy: -170.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1916.635373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.635373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.635373 (E_RNA) where: Base-Base interactions energy: -1235.995 where: short stacking energy: -531.077 Base-Backbone interact. energy: -0.076 local terms energy: -680.563779 where: bonds (distance) C4'-P energy: -143.250 bonds (distance) P-C4' energy: -159.907 flat angles C4'-P-C4' energy: -150.371 flat angles P-C4'-P energy: -99.928 tors. eta vs tors. theta energy: -127.108 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: 3 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1568.648620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.648620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.648620 (E_RNA) where: Base-Base interactions energy: -967.578 where: short stacking energy: -463.868 Base-Backbone interact. energy: -0.293 local terms energy: -600.777683 where: bonds (distance) C4'-P energy: -117.897 bonds (distance) P-C4' energy: -142.219 flat angles C4'-P-C4' energy: -158.624 flat angles P-C4'-P energy: -82.943 tors. eta vs tors. theta energy: -99.094 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: 7, replica: 6 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1345.033639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.033639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.033639 (E_RNA) where: Base-Base interactions energy: -817.152 where: short stacking energy: -406.401 Base-Backbone interact. energy: 5.302 local terms energy: -533.182930 where: bonds (distance) C4'-P energy: -128.073 bonds (distance) P-C4' energy: -111.960 flat angles C4'-P-C4' energy: -130.096 flat angles P-C4'-P energy: -89.575 tors. eta vs tors. theta energy: -73.479 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: 8, replica: 5 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -976.931206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.931206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.931206 (E_RNA) where: Base-Base interactions energy: -503.442 where: short stacking energy: -282.681 Base-Backbone interact. energy: 4.665 local terms energy: -478.154630 where: bonds (distance) C4'-P energy: -134.427 bonds (distance) P-C4' energy: -149.643 flat angles C4'-P-C4' energy: -113.785 flat angles P-C4'-P energy: -66.936 tors. eta vs tors. theta energy: -13.363 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: 9, replica: 7 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -954.953605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.953605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.953605 (E_RNA) where: Base-Base interactions energy: -487.128 where: short stacking energy: -250.065 Base-Backbone interact. energy: -0.241 local terms energy: -467.584467 where: bonds (distance) C4'-P energy: -118.730 bonds (distance) P-C4' energy: -142.640 flat angles C4'-P-C4' energy: -116.374 flat angles P-C4'-P energy: -77.633 tors. eta vs tors. theta energy: -12.208 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: 9 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -751.317934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.317934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.317934 (E_RNA) where: Base-Base interactions energy: -333.368 where: short stacking energy: -217.883 Base-Backbone interact. energy: 2.379 local terms energy: -420.328473 where: bonds (distance) C4'-P energy: -130.757 bonds (distance) P-C4' energy: -130.218 flat angles C4'-P-C4' energy: -105.263 flat angles P-C4'-P energy: -55.099 tors. eta vs tors. theta energy: 1.009 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: 1 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -2633.889713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.889713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.889713 (E_RNA) where: Base-Base interactions energy: -1789.884 where: short stacking energy: -756.163 Base-Backbone interact. energy: -1.790 local terms energy: -842.215360 where: bonds (distance) C4'-P energy: -153.968 bonds (distance) P-C4' energy: -150.845 flat angles C4'-P-C4' energy: -196.265 flat angles P-C4'-P energy: -115.379 tors. eta vs tors. theta energy: -225.758 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: 85 Temperature: 0.950000 Total energy: -2455.613307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.613307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.613307 (E_RNA) where: Base-Base interactions energy: -1652.815 where: short stacking energy: -729.810 Base-Backbone interact. energy: -6.223 local terms energy: -796.575728 where: bonds (distance) C4'-P energy: -154.046 bonds (distance) P-C4' energy: -145.141 flat angles C4'-P-C4' energy: -187.701 flat angles P-C4'-P energy: -115.285 tors. eta vs tors. theta energy: -194.401 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: 3, replica: 2 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -2260.942846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.942846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.942846 (E_RNA) where: Base-Base interactions energy: -1492.648 where: short stacking energy: -653.670 Base-Backbone interact. energy: -3.041 local terms energy: -765.253767 where: bonds (distance) C4'-P energy: -149.976 bonds (distance) P-C4' energy: -151.885 flat angles C4'-P-C4' energy: -168.330 flat angles P-C4'-P energy: -108.261 tors. eta vs tors. theta energy: -186.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -2150.374453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.374453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.374453 (E_RNA) where: Base-Base interactions energy: -1409.720 where: short stacking energy: -617.388 Base-Backbone interact. energy: -2.137 local terms energy: -738.517139 where: bonds (distance) C4'-P energy: -146.931 bonds (distance) P-C4' energy: -140.813 flat angles C4'-P-C4' energy: -158.193 flat angles P-C4'-P energy: -114.324 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: 10 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1952.678301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.678301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.678301 (E_RNA) where: Base-Base interactions energy: -1253.274 where: short stacking energy: -569.873 Base-Backbone interact. energy: -2.585 local terms energy: -696.818789 where: bonds (distance) C4'-P energy: -141.219 bonds (distance) P-C4' energy: -164.435 flat angles C4'-P-C4' energy: -144.537 flat angles P-C4'-P energy: -108.183 tors. eta vs tors. theta energy: -138.445 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: 3 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1645.912485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.912485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.912485 (E_RNA) where: Base-Base interactions energy: -1022.653 where: short stacking energy: -494.220 Base-Backbone interact. energy: 7.767 local terms energy: -631.026619 where: bonds (distance) C4'-P energy: -127.107 bonds (distance) P-C4' energy: -147.687 flat angles C4'-P-C4' energy: -145.501 flat angles P-C4'-P energy: -96.822 tors. eta vs tors. theta energy: -113.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1373.120220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.120220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.120220 (E_RNA) where: Base-Base interactions energy: -840.663 where: short stacking energy: -415.307 Base-Backbone interact. energy: -1.175 local terms energy: -531.282567 where: bonds (distance) C4'-P energy: -129.226 bonds (distance) P-C4' energy: -131.500 flat angles C4'-P-C4' energy: -124.351 flat angles P-C4'-P energy: -76.867 tors. eta vs tors. theta energy: -69.339 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: 5 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -977.912863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.912863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.912863 (E_RNA) where: Base-Base interactions energy: -551.483 where: short stacking energy: -315.409 Base-Backbone interact. energy: -0.735 local terms energy: -425.694846 where: bonds (distance) C4'-P energy: -116.212 bonds (distance) P-C4' energy: -116.740 flat angles C4'-P-C4' energy: -121.648 flat angles P-C4'-P energy: -62.284 tors. eta vs tors. theta energy: -8.811 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: 7 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -895.658756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.658756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.658756 (E_RNA) where: Base-Base interactions energy: -427.637 where: short stacking energy: -236.916 Base-Backbone interact. energy: -1.552 local terms energy: -466.469760 where: bonds (distance) C4'-P energy: -137.953 bonds (distance) P-C4' energy: -126.104 flat angles C4'-P-C4' energy: -112.950 flat angles P-C4'-P energy: -93.880 tors. eta vs tors. theta energy: 4.417 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: 10, replica: 9 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -687.719791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.719791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.719791 (E_RNA) where: Base-Base interactions energy: -315.170 where: short stacking energy: -188.002 Base-Backbone interact. energy: 6.544 local terms energy: -379.093934 where: bonds (distance) C4'-P energy: -129.972 bonds (distance) P-C4' energy: -135.695 flat angles C4'-P-C4' energy: -108.719 flat angles P-C4'-P energy: -38.949 tors. eta vs tors. theta energy: 34.240 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: 1 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -2607.683367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.683367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.683367 (E_RNA) where: Base-Base interactions energy: -1787.153 where: short stacking energy: -751.105 Base-Backbone interact. energy: -0.920 local terms energy: -819.610364 where: bonds (distance) C4'-P energy: -158.894 bonds (distance) P-C4' energy: -159.700 flat angles C4'-P-C4' energy: -163.825 flat angles P-C4'-P energy: -119.534 tors. eta vs tors. theta energy: -217.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -2432.513240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.513240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.513240 (E_RNA) where: Base-Base interactions energy: -1652.477 where: short stacking energy: -716.141 Base-Backbone interact. energy: -2.464 local terms energy: -777.572619 where: bonds (distance) C4'-P energy: -144.889 bonds (distance) P-C4' energy: -157.378 flat angles C4'-P-C4' energy: -181.288 flat angles P-C4'-P energy: -110.407 tors. eta vs tors. theta energy: -183.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -2308.671769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.671769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.671769 (E_RNA) where: Base-Base interactions energy: -1554.965 where: short stacking energy: -667.817 Base-Backbone interact. energy: -2.966 local terms energy: -750.741502 where: bonds (distance) C4'-P energy: -149.247 bonds (distance) P-C4' energy: -151.381 flat angles C4'-P-C4' energy: -171.324 flat angles P-C4'-P energy: -110.546 tors. eta vs tors. theta energy: -168.245 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: 4, replica: 8 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -2090.324337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.324337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.324337 (E_RNA) where: Base-Base interactions energy: -1385.510 where: short stacking energy: -629.909 Base-Backbone interact. energy: -4.279 local terms energy: -700.535455 where: bonds (distance) C4'-P energy: -143.856 bonds (distance) P-C4' energy: -133.580 flat angles C4'-P-C4' energy: -168.741 flat angles P-C4'-P energy: -90.988 tors. eta vs tors. theta energy: -163.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1969.648736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.648736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.648736 (E_RNA) where: Base-Base interactions energy: -1281.529 where: short stacking energy: -567.928 Base-Backbone interact. energy: -6.236 local terms energy: -681.884474 where: bonds (distance) C4'-P energy: -151.666 bonds (distance) P-C4' energy: -149.344 flat angles C4'-P-C4' energy: -162.851 flat angles P-C4'-P energy: -80.602 tors. eta vs tors. theta energy: -137.421 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: 6, replica: 3 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1680.012010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.012010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.012010 (E_RNA) where: Base-Base interactions energy: -1032.729 where: short stacking energy: -489.071 Base-Backbone interact. energy: -0.541 local terms energy: -646.741590 where: bonds (distance) C4'-P energy: -142.200 bonds (distance) P-C4' energy: -142.059 flat angles C4'-P-C4' energy: -161.937 flat angles P-C4'-P energy: -82.983 tors. eta vs tors. theta energy: -117.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1354.077770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.077770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.077770 (E_RNA) where: Base-Base interactions energy: -773.792 where: short stacking energy: -384.803 Base-Backbone interact. energy: 4.264 local terms energy: -584.550023 where: bonds (distance) C4'-P energy: -137.442 bonds (distance) P-C4' energy: -154.567 flat angles C4'-P-C4' energy: -152.976 flat angles P-C4'-P energy: -67.589 tors. eta vs tors. theta energy: -71.976 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: 8, replica: 5 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -1059.460579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.460579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.460579 (E_RNA) where: Base-Base interactions energy: -601.290 where: short stacking energy: -327.545 Base-Backbone interact. energy: 2.568 local terms energy: -460.738577 where: bonds (distance) C4'-P energy: -103.894 bonds (distance) P-C4' energy: -127.542 flat angles C4'-P-C4' energy: -123.885 flat angles P-C4'-P energy: -73.115 tors. eta vs tors. theta energy: -32.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -931.885834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.885834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.885834 (E_RNA) where: Base-Base interactions energy: -454.866 where: short stacking energy: -252.141 Base-Backbone interact. energy: 4.638 local terms energy: -481.657701 where: bonds (distance) C4'-P energy: -145.250 bonds (distance) P-C4' energy: -148.915 flat angles C4'-P-C4' energy: -113.501 flat angles P-C4'-P energy: -70.542 tors. eta vs tors. theta energy: -3.450 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: 10, replica: 9 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -675.913162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.913162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.913162 (E_RNA) where: Base-Base interactions energy: -286.579 where: short stacking energy: -199.572 Base-Backbone interact. energy: 2.605 local terms energy: -391.939421 where: bonds (distance) C4'-P energy: -101.110 bonds (distance) P-C4' energy: -123.833 flat angles C4'-P-C4' energy: -126.495 flat angles P-C4'-P energy: -60.951 tors. eta vs tors. theta energy: 20.450 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: 1 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -2593.040179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.040179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.040179 (E_RNA) where: Base-Base interactions energy: -1767.205 where: short stacking energy: -740.327 Base-Backbone interact. energy: -2.952 local terms energy: -822.883208 where: bonds (distance) C4'-P energy: -159.606 bonds (distance) P-C4' energy: -160.426 flat angles C4'-P-C4' energy: -185.281 flat angles P-C4'-P energy: -110.658 tors. eta vs tors. theta energy: -206.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -2420.774795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.774795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.774795 (E_RNA) where: Base-Base interactions energy: -1658.454 where: short stacking energy: -681.570 Base-Backbone interact. energy: 1.527 local terms energy: -763.848372 where: bonds (distance) C4'-P energy: -143.179 bonds (distance) P-C4' energy: -150.608 flat angles C4'-P-C4' energy: -166.956 flat angles P-C4'-P energy: -113.687 tors. eta vs tors. theta energy: -189.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -2346.384676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.384676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.384676 (E_RNA) where: Base-Base interactions energy: -1582.374 where: short stacking energy: -656.786 Base-Backbone interact. energy: -0.765 local terms energy: -763.245643 where: bonds (distance) C4'-P energy: -156.394 bonds (distance) P-C4' energy: -145.265 flat angles C4'-P-C4' energy: -168.901 flat angles P-C4'-P energy: -111.378 tors. eta vs tors. theta energy: -181.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -2059.938214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.938214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.938214 (E_RNA) where: Base-Base interactions energy: -1377.179 where: short stacking energy: -583.543 Base-Backbone interact. energy: -4.994 local terms energy: -677.765152 where: bonds (distance) C4'-P energy: -141.306 bonds (distance) P-C4' energy: -124.092 flat angles C4'-P-C4' energy: -165.035 flat angles P-C4'-P energy: -101.174 tors. eta vs tors. theta energy: -146.158 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: 5, replica: 10 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1853.331891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.331891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.331891 (E_RNA) where: Base-Base interactions energy: -1160.461 where: short stacking energy: -514.605 Base-Backbone interact. energy: -3.626 local terms energy: -689.244613 where: bonds (distance) C4'-P energy: -145.557 bonds (distance) P-C4' energy: -134.547 flat angles C4'-P-C4' energy: -168.110 flat angles P-C4'-P energy: -108.394 tors. eta vs tors. theta energy: -132.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1742.374693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.374693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.374693 (E_RNA) where: Base-Base interactions energy: -1140.747 where: short stacking energy: -470.204 Base-Backbone interact. energy: -1.640 local terms energy: -599.987436 where: bonds (distance) C4'-P energy: -104.450 bonds (distance) P-C4' energy: -160.851 flat angles C4'-P-C4' energy: -147.780 flat angles P-C4'-P energy: -88.019 tors. eta vs tors. theta energy: -98.888 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: 7, replica: 6 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1438.844960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.844960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.844960 (E_RNA) where: Base-Base interactions energy: -866.415 where: short stacking energy: -433.847 Base-Backbone interact. energy: -0.776 local terms energy: -571.653896 where: bonds (distance) C4'-P energy: -138.521 bonds (distance) P-C4' energy: -135.055 flat angles C4'-P-C4' energy: -154.706 flat angles P-C4'-P energy: -69.971 tors. eta vs tors. theta energy: -73.401 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: 5 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1099.083069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.083069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.083069 (E_RNA) where: Base-Base interactions energy: -612.740 where: short stacking energy: -336.141 Base-Backbone interact. energy: -3.091 local terms energy: -483.252073 where: bonds (distance) C4'-P energy: -120.622 bonds (distance) P-C4' energy: -126.802 flat angles C4'-P-C4' energy: -131.488 flat angles P-C4'-P energy: -61.733 tors. eta vs tors. theta energy: -42.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -924.245970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.245970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.245970 (E_RNA) where: Base-Base interactions energy: -440.122 where: short stacking energy: -226.734 Base-Backbone interact. energy: -0.213 local terms energy: -483.911210 where: bonds (distance) C4'-P energy: -143.535 bonds (distance) P-C4' energy: -138.884 flat angles C4'-P-C4' energy: -121.670 flat angles P-C4'-P energy: -94.099 tors. eta vs tors. theta energy: 14.277 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: 9 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -746.146555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.146555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.146555 (E_RNA) where: Base-Base interactions energy: -315.550 where: short stacking energy: -223.674 Base-Backbone interact. energy: -1.323 local terms energy: -429.273504 where: bonds (distance) C4'-P energy: -133.606 bonds (distance) P-C4' energy: -145.002 flat angles C4'-P-C4' energy: -106.444 flat angles P-C4'-P energy: -54.942 tors. eta vs tors. theta energy: 10.721 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: 1 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -2583.790807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.790807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.790807 (E_RNA) where: Base-Base interactions energy: -1744.121 where: short stacking energy: -766.268 Base-Backbone interact. energy: -1.226 local terms energy: -838.443754 where: bonds (distance) C4'-P energy: -173.891 bonds (distance) P-C4' energy: -159.094 flat angles C4'-P-C4' energy: -179.214 flat angles P-C4'-P energy: -114.372 tors. eta vs tors. theta energy: -211.873 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: 2, replica: 4 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -2453.231336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.231336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.231336 (E_RNA) where: Base-Base interactions energy: -1640.071 where: short stacking energy: -736.309 Base-Backbone interact. energy: -2.680 local terms energy: -810.480202 where: bonds (distance) C4'-P energy: -166.550 bonds (distance) P-C4' energy: -155.869 flat angles C4'-P-C4' energy: -192.446 flat angles P-C4'-P energy: -100.748 tors. eta vs tors. theta energy: -194.867 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: 2 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -2324.041064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.041064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.041064 (E_RNA) where: Base-Base interactions energy: -1542.348 where: short stacking energy: -666.683 Base-Backbone interact. energy: -2.355 local terms energy: -779.337992 where: bonds (distance) C4'-P energy: -149.175 bonds (distance) P-C4' energy: -168.209 flat angles C4'-P-C4' energy: -157.965 flat angles P-C4'-P energy: -119.216 tors. eta vs tors. theta energy: -184.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -2126.505366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.505366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.505366 (E_RNA) where: Base-Base interactions energy: -1421.557 where: short stacking energy: -644.323 Base-Backbone interact. energy: 0.896 local terms energy: -705.844533 where: bonds (distance) C4'-P energy: -138.390 bonds (distance) P-C4' energy: -142.809 flat angles C4'-P-C4' energy: -162.943 flat angles P-C4'-P energy: -95.851 tors. eta vs tors. theta energy: -165.852 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: 10 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1901.727549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.727549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.727549 (E_RNA) where: Base-Base interactions energy: -1245.568 where: short stacking energy: -523.717 Base-Backbone interact. energy: 1.402 local terms energy: -657.561137 where: bonds (distance) C4'-P energy: -130.057 bonds (distance) P-C4' energy: -128.021 flat angles C4'-P-C4' energy: -161.883 flat angles P-C4'-P energy: -102.558 tors. eta vs tors. theta energy: -135.042 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: 6, replica: 3 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1736.008586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.008586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.008586 (E_RNA) where: Base-Base interactions energy: -1099.337 where: short stacking energy: -539.749 Base-Backbone interact. energy: -3.596 local terms energy: -633.075781 where: bonds (distance) C4'-P energy: -133.054 bonds (distance) P-C4' energy: -130.837 flat angles C4'-P-C4' energy: -160.027 flat angles P-C4'-P energy: -83.479 tors. eta vs tors. theta energy: -125.679 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: 7, replica: 6 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1359.135359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.135359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.135359 (E_RNA) where: Base-Base interactions energy: -797.721 where: short stacking energy: -413.932 Base-Backbone interact. energy: -2.889 local terms energy: -558.526030 where: bonds (distance) C4'-P energy: -136.119 bonds (distance) P-C4' energy: -137.148 flat angles C4'-P-C4' energy: -123.491 flat angles P-C4'-P energy: -95.056 tors. eta vs tors. theta energy: -66.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1025.376529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.376529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.376529 (E_RNA) where: Base-Base interactions energy: -527.859 where: short stacking energy: -290.872 Base-Backbone interact. energy: 3.818 local terms energy: -501.335667 where: bonds (distance) C4'-P energy: -127.445 bonds (distance) P-C4' energy: -146.221 flat angles C4'-P-C4' energy: -136.703 flat angles P-C4'-P energy: -77.307 tors. eta vs tors. theta energy: -13.660 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: 9, replica: 7 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -927.398565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.398565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.398565 (E_RNA) where: Base-Base interactions energy: -475.969 where: short stacking energy: -281.010 Base-Backbone interact. energy: 1.065 local terms energy: -452.494502 where: bonds (distance) C4'-P energy: -103.071 bonds (distance) P-C4' energy: -141.389 flat angles C4'-P-C4' energy: -131.565 flat angles P-C4'-P energy: -56.309 tors. eta vs tors. theta energy: -20.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -679.246836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.246836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.246836 (E_RNA) where: Base-Base interactions energy: -286.272 where: short stacking energy: -176.322 Base-Backbone interact. energy: 2.585 local terms energy: -395.558986 where: bonds (distance) C4'-P energy: -108.130 bonds (distance) P-C4' energy: -129.404 flat angles C4'-P-C4' energy: -108.718 flat angles P-C4'-P energy: -78.282 tors. eta vs tors. theta energy: 28.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -2620.502065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.502065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.502065 (E_RNA) where: Base-Base interactions energy: -1762.703 where: short stacking energy: -744.391 Base-Backbone interact. energy: -3.278 local terms energy: -854.521428 where: bonds (distance) C4'-P energy: -175.266 bonds (distance) P-C4' energy: -167.770 flat angles C4'-P-C4' energy: -169.367 flat angles P-C4'-P energy: -113.447 tors. eta vs tors. theta energy: -228.671 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: 89 Temperature: 0.950000 Total energy: -2486.532155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.532155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.532155 (E_RNA) where: Base-Base interactions energy: -1646.903 where: short stacking energy: -753.298 Base-Backbone interact. energy: -7.521 local terms energy: -832.108026 where: bonds (distance) C4'-P energy: -165.711 bonds (distance) P-C4' energy: -166.177 flat angles C4'-P-C4' energy: -184.087 flat angles P-C4'-P energy: -104.948 tors. eta vs tors. theta energy: -211.185 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: 89 Temperature: 1.000000 Total energy: -2345.051641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.051641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.051641 (E_RNA) where: Base-Base interactions energy: -1583.956 where: short stacking energy: -672.648 Base-Backbone interact. energy: -2.622 local terms energy: -758.474172 where: bonds (distance) C4'-P energy: -143.749 bonds (distance) P-C4' energy: -169.897 flat angles C4'-P-C4' energy: -161.956 flat angles P-C4'-P energy: -97.254 tors. eta vs tors. theta energy: -185.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -2136.090254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.090254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.090254 (E_RNA) where: Base-Base interactions energy: -1386.262 where: short stacking energy: -624.480 Base-Backbone interact. energy: -0.818 local terms energy: -749.010980 where: bonds (distance) C4'-P energy: -148.600 bonds (distance) P-C4' energy: -154.369 flat angles C4'-P-C4' energy: -163.546 flat angles P-C4'-P energy: -110.734 tors. eta vs tors. theta energy: -171.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1930.551385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.551385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.551385 (E_RNA) where: Base-Base interactions energy: -1248.992 where: short stacking energy: -533.024 Base-Backbone interact. energy: -2.544 local terms energy: -679.016091 where: bonds (distance) C4'-P energy: -157.864 bonds (distance) P-C4' energy: -145.524 flat angles C4'-P-C4' energy: -140.376 flat angles P-C4'-P energy: -90.770 tors. eta vs tors. theta energy: -144.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1719.772579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.772579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.772579 (E_RNA) where: Base-Base interactions energy: -1084.630 where: short stacking energy: -503.445 Base-Backbone interact. energy: 0.636 local terms energy: -635.778364 where: bonds (distance) C4'-P energy: -133.500 bonds (distance) P-C4' energy: -130.008 flat angles C4'-P-C4' energy: -148.220 flat angles P-C4'-P energy: -117.516 tors. eta vs tors. theta energy: -106.534 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: 6 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1491.380116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.380116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.380116 (E_RNA) where: Base-Base interactions energy: -883.212 where: short stacking energy: -419.563 Base-Backbone interact. energy: -1.451 local terms energy: -606.716703 where: bonds (distance) C4'-P energy: -134.821 bonds (distance) P-C4' energy: -146.550 flat angles C4'-P-C4' energy: -139.461 flat angles P-C4'-P energy: -95.842 tors. eta vs tors. theta energy: -90.042 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: 8, replica: 5 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1048.818338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.818338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.818338 (E_RNA) where: Base-Base interactions energy: -519.077 where: short stacking energy: -309.688 Base-Backbone interact. energy: 0.188 local terms energy: -529.929363 where: bonds (distance) C4'-P energy: -154.921 bonds (distance) P-C4' energy: -126.102 flat angles C4'-P-C4' energy: -123.451 flat angles P-C4'-P energy: -74.586 tors. eta vs tors. theta energy: -50.869 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: 9, replica: 7 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -907.473658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.473658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.473658 (E_RNA) where: Base-Base interactions energy: -448.880 where: short stacking energy: -263.948 Base-Backbone interact. energy: -3.097 local terms energy: -455.496404 where: bonds (distance) C4'-P energy: -117.970 bonds (distance) P-C4' energy: -143.643 flat angles C4'-P-C4' energy: -117.626 flat angles P-C4'-P energy: -61.956 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: 10, replica: 9 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -661.484880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.484880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.484880 (E_RNA) where: Base-Base interactions energy: -229.949 where: short stacking energy: -170.946 Base-Backbone interact. energy: -5.663 local terms energy: -425.873011 where: bonds (distance) C4'-P energy: -121.130 bonds (distance) P-C4' energy: -158.417 flat angles C4'-P-C4' energy: -112.538 flat angles P-C4'-P energy: -53.227 tors. eta vs tors. theta energy: 19.440 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: 1 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -2622.634260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.634260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.634260 (E_RNA) where: Base-Base interactions energy: -1787.772 where: short stacking energy: -763.689 Base-Backbone interact. energy: -4.086 local terms energy: -830.776141 where: bonds (distance) C4'-P energy: -162.097 bonds (distance) P-C4' energy: -157.192 flat angles C4'-P-C4' energy: -177.959 flat angles P-C4'-P energy: -113.056 tors. eta vs tors. theta energy: -220.472 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: 4 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -2455.546264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.546264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.546264 (E_RNA) where: Base-Base interactions energy: -1667.433 where: short stacking energy: -728.263 Base-Backbone interact. energy: 5.492 local terms energy: -793.606161 where: bonds (distance) C4'-P energy: -144.053 bonds (distance) P-C4' energy: -157.701 flat angles C4'-P-C4' energy: -172.677 flat angles P-C4'-P energy: -123.460 tors. eta vs tors. theta energy: -195.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -2358.841039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.841039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.841039 (E_RNA) where: Base-Base interactions energy: -1597.291 where: short stacking energy: -703.911 Base-Backbone interact. energy: -1.446 local terms energy: -760.103908 where: bonds (distance) C4'-P energy: -145.526 bonds (distance) P-C4' energy: -149.694 flat angles C4'-P-C4' energy: -171.187 flat angles P-C4'-P energy: -109.023 tors. eta vs tors. theta energy: -184.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -2107.967453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.967453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.967453 (E_RNA) where: Base-Base interactions energy: -1415.442 where: short stacking energy: -633.439 Base-Backbone interact. energy: -3.795 local terms energy: -688.729577 where: bonds (distance) C4'-P energy: -148.550 bonds (distance) P-C4' energy: -147.119 flat angles C4'-P-C4' energy: -156.760 flat angles P-C4'-P energy: -76.457 tors. eta vs tors. theta energy: -159.844 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: 10 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1911.435362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.435362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.435362 (E_RNA) where: Base-Base interactions energy: -1215.476 where: short stacking energy: -564.182 Base-Backbone interact. energy: -2.607 local terms energy: -693.352094 where: bonds (distance) C4'-P energy: -131.869 bonds (distance) P-C4' energy: -146.681 flat angles C4'-P-C4' energy: -167.693 flat angles P-C4'-P energy: -103.095 tors. eta vs tors. theta energy: -144.014 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: 3 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1684.746803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.746803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.746803 (E_RNA) where: Base-Base interactions energy: -1066.161 where: short stacking energy: -484.568 Base-Backbone interact. energy: -1.949 local terms energy: -616.636992 where: bonds (distance) C4'-P energy: -129.088 bonds (distance) P-C4' energy: -153.798 flat angles C4'-P-C4' energy: -137.900 flat angles P-C4'-P energy: -94.141 tors. eta vs tors. theta energy: -101.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1478.346321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.346321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.346321 (E_RNA) where: Base-Base interactions energy: -880.465 where: short stacking energy: -416.195 Base-Backbone interact. energy: -2.680 local terms energy: -595.201386 where: bonds (distance) C4'-P energy: -142.966 bonds (distance) P-C4' energy: -145.342 flat angles C4'-P-C4' energy: -132.675 flat angles P-C4'-P energy: -93.328 tors. eta vs tors. theta energy: -80.891 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: 8, replica: 5 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -1095.211940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.211940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.211940 (E_RNA) where: Base-Base interactions energy: -573.109 where: short stacking energy: -315.824 Base-Backbone interact. energy: 0.794 local terms energy: -522.896957 where: bonds (distance) C4'-P energy: -125.148 bonds (distance) P-C4' energy: -139.247 flat angles C4'-P-C4' energy: -142.463 flat angles P-C4'-P energy: -79.922 tors. eta vs tors. theta energy: -36.118 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: 9, replica: 7 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -956.257533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.257533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.257533 (E_RNA) where: Base-Base interactions energy: -504.426 where: short stacking energy: -278.872 Base-Backbone interact. energy: 4.191 local terms energy: -456.022273 where: bonds (distance) C4'-P energy: -109.081 bonds (distance) P-C4' energy: -137.947 flat angles C4'-P-C4' energy: -132.936 flat angles P-C4'-P energy: -74.323 tors. eta vs tors. theta energy: -1.735 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: 10, replica: 9 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -604.755281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.755281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.755281 (E_RNA) where: Base-Base interactions energy: -232.925 where: short stacking energy: -187.493 Base-Backbone interact. energy: 6.851 local terms energy: -378.682027 where: bonds (distance) C4'-P energy: -119.152 bonds (distance) P-C4' energy: -134.517 flat angles C4'-P-C4' energy: -105.771 flat angles P-C4'-P energy: -49.755 tors. eta vs tors. theta energy: 30.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -2584.911712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.911712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.911712 (E_RNA) where: Base-Base interactions energy: -1774.062 where: short stacking energy: -732.049 Base-Backbone interact. energy: -3.484 local terms energy: -807.365479 where: bonds (distance) C4'-P energy: -162.472 bonds (distance) P-C4' energy: -161.305 flat angles C4'-P-C4' energy: -177.201 flat angles P-C4'-P energy: -98.738 tors. eta vs tors. theta energy: -207.649 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: 2, replica: 4 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2472.320444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.320444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.320444 (E_RNA) where: Base-Base interactions energy: -1699.184 where: short stacking energy: -749.983 Base-Backbone interact. energy: -4.544 local terms energy: -768.592105 where: bonds (distance) C4'-P energy: -154.206 bonds (distance) P-C4' energy: -152.197 flat angles C4'-P-C4' energy: -164.596 flat angles P-C4'-P energy: -101.468 tors. eta vs tors. theta energy: -196.125 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: 3, replica: 2 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -2338.724841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.724841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.724841 (E_RNA) where: Base-Base interactions energy: -1584.317 where: short stacking energy: -671.696 Base-Backbone interact. energy: -4.427 local terms energy: -749.981362 where: bonds (distance) C4'-P energy: -147.522 bonds (distance) P-C4' energy: -142.466 flat angles C4'-P-C4' energy: -173.024 flat angles P-C4'-P energy: -102.967 tors. eta vs tors. theta energy: -184.001 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: 8 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -2110.362254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.362254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.362254 (E_RNA) where: Base-Base interactions energy: -1390.633 where: short stacking energy: -575.680 Base-Backbone interact. energy: -1.774 local terms energy: -717.954762 where: bonds (distance) C4'-P energy: -127.908 bonds (distance) P-C4' energy: -169.804 flat angles C4'-P-C4' energy: -157.538 flat angles P-C4'-P energy: -110.541 tors. eta vs tors. theta energy: -152.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1901.321284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.321284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.321284 (E_RNA) where: Base-Base interactions energy: -1231.202 where: short stacking energy: -582.363 Base-Backbone interact. energy: -3.254 local terms energy: -666.865830 where: bonds (distance) C4'-P energy: -143.609 bonds (distance) P-C4' energy: -146.962 flat angles C4'-P-C4' energy: -142.279 flat angles P-C4'-P energy: -85.786 tors. eta vs tors. theta energy: -148.229 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: 6, replica: 3 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1652.700129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.700129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.700129 (E_RNA) where: Base-Base interactions energy: -1044.022 where: short stacking energy: -479.920 Base-Backbone interact. energy: 0.411 local terms energy: -609.089450 where: bonds (distance) C4'-P energy: -137.463 bonds (distance) P-C4' energy: -134.924 flat angles C4'-P-C4' energy: -152.526 flat angles P-C4'-P energy: -79.920 tors. eta vs tors. theta energy: -104.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1478.860779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.860779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.860779 (E_RNA) where: Base-Base interactions energy: -914.373 where: short stacking energy: -408.966 Base-Backbone interact. energy: 3.260 local terms energy: -567.747787 where: bonds (distance) C4'-P energy: -141.077 bonds (distance) P-C4' energy: -139.128 flat angles C4'-P-C4' energy: -126.701 flat angles P-C4'-P energy: -87.414 tors. eta vs tors. theta energy: -73.427 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: 5 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1115.218899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.218899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.218899 (E_RNA) where: Base-Base interactions energy: -589.854 where: short stacking energy: -293.532 Base-Backbone interact. energy: -2.299 local terms energy: -523.066107 where: bonds (distance) C4'-P energy: -128.146 bonds (distance) P-C4' energy: -147.097 flat angles C4'-P-C4' energy: -128.494 flat angles P-C4'-P energy: -72.765 tors. eta vs tors. theta energy: -46.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -994.956958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.956958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.956958 (E_RNA) where: Base-Base interactions energy: -515.685 where: short stacking energy: -284.268 Base-Backbone interact. energy: 8.879 local terms energy: -488.151449 where: bonds (distance) C4'-P energy: -147.040 bonds (distance) P-C4' energy: -104.955 flat angles C4'-P-C4' energy: -123.203 flat angles P-C4'-P energy: -85.976 tors. eta vs tors. theta energy: -26.977 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: 9 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -641.496290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.496290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.496290 (E_RNA) where: Base-Base interactions energy: -227.550 where: short stacking energy: -176.249 Base-Backbone interact. energy: 8.767 local terms energy: -422.713885 where: bonds (distance) C4'-P energy: -147.659 bonds (distance) P-C4' energy: -146.055 flat angles C4'-P-C4' energy: -96.528 flat angles P-C4'-P energy: -60.802 tors. eta vs tors. theta energy: 28.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -2539.644488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.644488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.644488 (E_RNA) where: Base-Base interactions energy: -1736.270 where: short stacking energy: -725.315 Base-Backbone interact. energy: -0.125 local terms energy: -803.248859 where: bonds (distance) C4'-P energy: -161.074 bonds (distance) P-C4' energy: -149.684 flat angles C4'-P-C4' energy: -178.056 flat angles P-C4'-P energy: -113.264 tors. eta vs tors. theta energy: -201.171 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: 4 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -2421.539725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.539725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.539725 (E_RNA) where: Base-Base interactions energy: -1641.893 where: short stacking energy: -714.397 Base-Backbone interact. energy: -2.548 local terms energy: -777.098322 where: bonds (distance) C4'-P energy: -146.665 bonds (distance) P-C4' energy: -157.428 flat angles C4'-P-C4' energy: -175.469 flat angles P-C4'-P energy: -99.296 tors. eta vs tors. theta energy: -198.240 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: 3, replica: 2 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -2392.180062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.180062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.180062 (E_RNA) where: Base-Base interactions energy: -1607.016 where: short stacking energy: -701.795 Base-Backbone interact. energy: -1.671 local terms energy: -783.493045 where: bonds (distance) C4'-P energy: -149.213 bonds (distance) P-C4' energy: -152.724 flat angles C4'-P-C4' energy: -170.196 flat angles P-C4'-P energy: -124.537 tors. eta vs tors. theta energy: -186.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -2065.714234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.714234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.714234 (E_RNA) where: Base-Base interactions energy: -1333.014 where: short stacking energy: -614.853 Base-Backbone interact. energy: -3.334 local terms energy: -729.365906 where: bonds (distance) C4'-P energy: -145.689 bonds (distance) P-C4' energy: -149.442 flat angles C4'-P-C4' energy: -168.520 flat angles P-C4'-P energy: -99.854 tors. eta vs tors. theta energy: -165.861 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: 10 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1914.421830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.421830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.421830 (E_RNA) where: Base-Base interactions energy: -1252.377 where: short stacking energy: -554.740 Base-Backbone interact. energy: -1.865 local terms energy: -660.180016 where: bonds (distance) C4'-P energy: -150.172 bonds (distance) P-C4' energy: -145.036 flat angles C4'-P-C4' energy: -142.731 flat angles P-C4'-P energy: -92.508 tors. eta vs tors. theta energy: -129.733 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: 6, replica: 3 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1690.108143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.108143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.108143 (E_RNA) where: Base-Base interactions energy: -1076.963 where: short stacking energy: -482.603 Base-Backbone interact. energy: 0.577 local terms energy: -613.721999 where: bonds (distance) C4'-P energy: -142.134 bonds (distance) P-C4' energy: -150.081 flat angles C4'-P-C4' energy: -161.427 flat angles P-C4'-P energy: -58.313 tors. eta vs tors. theta energy: -101.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1422.206122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.206122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.206122 (E_RNA) where: Base-Base interactions energy: -830.120 where: short stacking energy: -397.776 Base-Backbone interact. energy: 2.045 local terms energy: -594.130922 where: bonds (distance) C4'-P energy: -122.592 bonds (distance) P-C4' energy: -143.087 flat angles C4'-P-C4' energy: -157.294 flat angles P-C4'-P energy: -94.486 tors. eta vs tors. theta energy: -76.673 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: 8, replica: 5 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -1196.717459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.717459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.717459 (E_RNA) where: Base-Base interactions energy: -695.325 where: short stacking energy: -344.143 Base-Backbone interact. energy: -0.193 local terms energy: -501.199891 where: bonds (distance) C4'-P energy: -114.996 bonds (distance) P-C4' energy: -137.265 flat angles C4'-P-C4' energy: -126.853 flat angles P-C4'-P energy: -74.881 tors. eta vs tors. theta energy: -47.204 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: 7 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -995.405200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.405200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.405200 (E_RNA) where: Base-Base interactions energy: -534.792 where: short stacking energy: -260.107 Base-Backbone interact. energy: -1.782 local terms energy: -458.831476 where: bonds (distance) C4'-P energy: -137.623 bonds (distance) P-C4' energy: -136.635 flat angles C4'-P-C4' energy: -115.176 flat angles P-C4'-P energy: -69.590 tors. eta vs tors. theta energy: 0.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -603.835078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.835078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.835078 (E_RNA) where: Base-Base interactions energy: -211.863 where: short stacking energy: -159.609 Base-Backbone interact. energy: 0.554 local terms energy: -392.525900 where: bonds (distance) C4'-P energy: -114.272 bonds (distance) P-C4' energy: -145.299 flat angles C4'-P-C4' energy: -107.895 flat angles P-C4'-P energy: -69.094 tors. eta vs tors. theta energy: 44.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -2654.049270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.049270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.049270 (E_RNA) where: Base-Base interactions energy: -1809.946 where: short stacking energy: -760.436 Base-Backbone interact. energy: -5.503 local terms energy: -838.600446 where: bonds (distance) C4'-P energy: -155.778 bonds (distance) P-C4' energy: -166.350 flat angles C4'-P-C4' energy: -191.075 flat angles P-C4'-P energy: -106.944 tors. eta vs tors. theta energy: -218.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2403.045813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.045813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.045813 (E_RNA) where: Base-Base interactions energy: -1620.541 where: short stacking energy: -719.219 Base-Backbone interact. energy: -8.543 local terms energy: -773.961865 where: bonds (distance) C4'-P energy: -146.239 bonds (distance) P-C4' energy: -157.390 flat angles C4'-P-C4' energy: -172.228 flat angles P-C4'-P energy: -108.661 tors. eta vs tors. theta energy: -189.445 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: 2 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -2411.048655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.048655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.048655 (E_RNA) where: Base-Base interactions energy: -1620.909 where: short stacking energy: -694.759 Base-Backbone interact. energy: -2.149 local terms energy: -787.991016 where: bonds (distance) C4'-P energy: -153.487 bonds (distance) P-C4' energy: -161.518 flat angles C4'-P-C4' energy: -179.006 flat angles P-C4'-P energy: -109.588 tors. eta vs tors. theta energy: -184.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -2095.456520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.456520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.456520 (E_RNA) where: Base-Base interactions energy: -1377.217 where: short stacking energy: -628.643 Base-Backbone interact. energy: 1.618 local terms energy: -719.858390 where: bonds (distance) C4'-P energy: -142.865 bonds (distance) P-C4' energy: -154.769 flat angles C4'-P-C4' energy: -146.735 flat angles P-C4'-P energy: -103.892 tors. eta vs tors. theta energy: -171.598 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: 10 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1980.132195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.132195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.132195 (E_RNA) where: Base-Base interactions energy: -1285.708 where: short stacking energy: -606.173 Base-Backbone interact. energy: -3.976 local terms energy: -690.447965 where: bonds (distance) C4'-P energy: -139.551 bonds (distance) P-C4' energy: -148.121 flat angles C4'-P-C4' energy: -161.461 flat angles P-C4'-P energy: -77.164 tors. eta vs tors. theta energy: -164.150 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: 3 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1779.398725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.398725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.398725 (E_RNA) where: Base-Base interactions energy: -1149.853 where: short stacking energy: -511.166 Base-Backbone interact. energy: -1.069 local terms energy: -628.477010 where: bonds (distance) C4'-P energy: -138.280 bonds (distance) P-C4' energy: -135.444 flat angles C4'-P-C4' energy: -142.981 flat angles P-C4'-P energy: -96.420 tors. eta vs tors. theta energy: -115.352 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: 6 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1448.089097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.089097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.089097 (E_RNA) where: Base-Base interactions energy: -860.584 where: short stacking energy: -420.949 Base-Backbone interact. energy: 6.410 local terms energy: -593.915425 where: bonds (distance) C4'-P energy: -148.718 bonds (distance) P-C4' energy: -144.588 flat angles C4'-P-C4' energy: -144.998 flat angles P-C4'-P energy: -66.819 tors. eta vs tors. theta energy: -88.793 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: 5 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1277.671879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.671879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.671879 (E_RNA) where: Base-Base interactions energy: -787.445 where: short stacking energy: -371.264 Base-Backbone interact. energy: -1.221 local terms energy: -489.006002 where: bonds (distance) C4'-P energy: -117.057 bonds (distance) P-C4' energy: -141.309 flat angles C4'-P-C4' energy: -123.765 flat angles P-C4'-P energy: -63.550 tors. eta vs tors. theta energy: -43.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -961.035678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.035678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.035678 (E_RNA) where: Base-Base interactions energy: -488.535 where: short stacking energy: -250.088 Base-Backbone interact. energy: 5.228 local terms energy: -477.728695 where: bonds (distance) C4'-P energy: -130.738 bonds (distance) P-C4' energy: -145.516 flat angles C4'-P-C4' energy: -118.100 flat angles P-C4'-P energy: -87.725 tors. eta vs tors. theta energy: 4.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -599.685530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.685530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.685530 (E_RNA) where: Base-Base interactions energy: -189.038 where: short stacking energy: -154.546 Base-Backbone interact. energy: 10.014 local terms energy: -420.661573 where: bonds (distance) C4'-P energy: -128.893 bonds (distance) P-C4' energy: -151.294 flat angles C4'-P-C4' energy: -102.935 flat angles P-C4'-P energy: -66.592 tors. eta vs tors. theta energy: 29.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -2628.256113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.256113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.256113 (E_RNA) where: Base-Base interactions energy: -1807.118 where: short stacking energy: -733.807 Base-Backbone interact. energy: -2.658 local terms energy: -818.479673 where: bonds (distance) C4'-P energy: -159.366 bonds (distance) P-C4' energy: -176.422 flat angles C4'-P-C4' energy: -176.122 flat angles P-C4'-P energy: -102.858 tors. eta vs tors. theta energy: -203.712 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: 4 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2441.951902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.951902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.951902 (E_RNA) where: Base-Base interactions energy: -1620.814 where: short stacking energy: -714.188 Base-Backbone interact. energy: -5.339 local terms energy: -815.798968 where: bonds (distance) C4'-P energy: -157.430 bonds (distance) P-C4' energy: -174.409 flat angles C4'-P-C4' energy: -165.621 flat angles P-C4'-P energy: -109.962 tors. eta vs tors. theta energy: -208.376 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: 2 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -2381.446260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.446260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.446260 (E_RNA) where: Base-Base interactions energy: -1610.646 where: short stacking energy: -702.253 Base-Backbone interact. energy: -2.385 local terms energy: -768.414887 where: bonds (distance) C4'-P energy: -155.795 bonds (distance) P-C4' energy: -160.284 flat angles C4'-P-C4' energy: -177.741 flat angles P-C4'-P energy: -79.681 tors. eta vs tors. theta energy: -194.914 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: 8 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -2108.057437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.057437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.057437 (E_RNA) where: Base-Base interactions energy: -1355.074 where: short stacking energy: -617.327 Base-Backbone interact. energy: -7.457 local terms energy: -745.526292 where: bonds (distance) C4'-P energy: -141.919 bonds (distance) P-C4' energy: -156.807 flat angles C4'-P-C4' energy: -169.571 flat angles P-C4'-P energy: -104.313 tors. eta vs tors. theta energy: -172.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1952.003630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.003630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.003630 (E_RNA) where: Base-Base interactions energy: -1288.033 where: short stacking energy: -577.969 Base-Backbone interact. energy: -1.248 local terms energy: -662.722476 where: bonds (distance) C4'-P energy: -135.762 bonds (distance) P-C4' energy: -126.756 flat angles C4'-P-C4' energy: -158.682 flat angles P-C4'-P energy: -100.778 tors. eta vs tors. theta energy: -140.744 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: 6, replica: 3 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1805.458087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.458087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.458087 (E_RNA) where: Base-Base interactions energy: -1175.137 where: short stacking energy: -567.520 Base-Backbone interact. energy: -2.272 local terms energy: -628.048669 where: bonds (distance) C4'-P energy: -115.931 bonds (distance) P-C4' energy: -138.274 flat angles C4'-P-C4' energy: -142.731 flat angles P-C4'-P energy: -99.191 tors. eta vs tors. theta energy: -131.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1433.037748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.037748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.037748 (E_RNA) where: Base-Base interactions energy: -888.310 where: short stacking energy: -445.463 Base-Backbone interact. energy: -3.647 local terms energy: -541.080807 where: bonds (distance) C4'-P energy: -118.048 bonds (distance) P-C4' energy: -134.529 flat angles C4'-P-C4' energy: -125.075 flat angles P-C4'-P energy: -82.904 tors. eta vs tors. theta energy: -80.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1330.822498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.822498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.822498 (E_RNA) where: Base-Base interactions energy: -780.014 where: short stacking energy: -377.779 Base-Backbone interact. energy: -1.166 local terms energy: -549.642890 where: bonds (distance) C4'-P energy: -136.992 bonds (distance) P-C4' energy: -166.213 flat angles C4'-P-C4' energy: -130.204 flat angles P-C4'-P energy: -57.826 tors. eta vs tors. theta energy: -58.408 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: 9, replica: 7 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -988.143043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.143043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.143043 (E_RNA) where: Base-Base interactions energy: -517.721 where: short stacking energy: -298.692 Base-Backbone interact. energy: 5.061 local terms energy: -475.483700 where: bonds (distance) C4'-P energy: -125.723 bonds (distance) P-C4' energy: -149.779 flat angles C4'-P-C4' energy: -123.266 flat angles P-C4'-P energy: -55.693 tors. eta vs tors. theta energy: -21.023 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: 9 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -589.030977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.030977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.030977 (E_RNA) where: Base-Base interactions energy: -190.852 where: short stacking energy: -155.318 Base-Backbone interact. energy: 0.006 local terms energy: -398.184938 where: bonds (distance) C4'-P energy: -120.561 bonds (distance) P-C4' energy: -124.400 flat angles C4'-P-C4' energy: -123.377 flat angles P-C4'-P energy: -65.659 tors. eta vs tors. theta energy: 35.812 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: 1, replica: 1 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -2633.623999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.623999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.623999 (E_RNA) where: Base-Base interactions energy: -1786.621 where: short stacking energy: -738.390 Base-Backbone interact. energy: -1.111 local terms energy: -845.892340 where: bonds (distance) C4'-P energy: -161.308 bonds (distance) P-C4' energy: -167.345 flat angles C4'-P-C4' energy: -177.939 flat angles P-C4'-P energy: -123.053 tors. eta vs tors. theta energy: -216.246 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: 2, replica: 4 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -2454.532213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.532213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.532213 (E_RNA) where: Base-Base interactions energy: -1646.782 where: short stacking energy: -746.101 Base-Backbone interact. energy: -5.462 local terms energy: -802.288250 where: bonds (distance) C4'-P energy: -148.330 bonds (distance) P-C4' energy: -159.613 flat angles C4'-P-C4' energy: -175.977 flat angles P-C4'-P energy: -112.692 tors. eta vs tors. theta energy: -205.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -2386.929205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.929205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.929205 (E_RNA) where: Base-Base interactions energy: -1587.833 where: short stacking energy: -702.149 Base-Backbone interact. energy: -2.683 local terms energy: -796.413715 where: bonds (distance) C4'-P energy: -142.786 bonds (distance) P-C4' energy: -152.518 flat angles C4'-P-C4' energy: -184.218 flat angles P-C4'-P energy: -125.653 tors. eta vs tors. theta energy: -191.237 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: 4, replica: 8 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -2136.581137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.581137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.581137 (E_RNA) where: Base-Base interactions energy: -1397.829 where: short stacking energy: -627.932 Base-Backbone interact. energy: -6.220 local terms energy: -732.531516 where: bonds (distance) C4'-P energy: -150.542 bonds (distance) P-C4' energy: -141.992 flat angles C4'-P-C4' energy: -170.656 flat angles P-C4'-P energy: -104.742 tors. eta vs tors. theta energy: -164.599 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: 5, replica: 10 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -1936.380996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.380996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.380996 (E_RNA) where: Base-Base interactions energy: -1235.603 where: short stacking energy: -565.919 Base-Backbone interact. energy: 6.412 local terms energy: -707.190091 where: bonds (distance) C4'-P energy: -141.926 bonds (distance) P-C4' energy: -162.377 flat angles C4'-P-C4' energy: -156.916 flat angles P-C4'-P energy: -111.075 tors. eta vs tors. theta energy: -134.896 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: 6, replica: 3 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1735.084839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.084839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.084839 (E_RNA) where: Base-Base interactions energy: -1101.040 where: short stacking energy: -488.124 Base-Backbone interact. energy: 0.591 local terms energy: -634.636115 where: bonds (distance) C4'-P energy: -126.094 bonds (distance) P-C4' energy: -165.988 flat angles C4'-P-C4' energy: -135.990 flat angles P-C4'-P energy: -102.435 tors. eta vs tors. theta energy: -104.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1445.152004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.152004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.152004 (E_RNA) where: Base-Base interactions energy: -878.560 where: short stacking energy: -404.519 Base-Backbone interact. energy: -3.487 local terms energy: -563.104330 where: bonds (distance) C4'-P energy: -129.479 bonds (distance) P-C4' energy: -138.881 flat angles C4'-P-C4' energy: -143.299 flat angles P-C4'-P energy: -77.004 tors. eta vs tors. theta energy: -74.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -1277.306297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.306297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.306297 (E_RNA) where: Base-Base interactions energy: -767.011 where: short stacking energy: -350.792 Base-Backbone interact. energy: 0.142 local terms energy: -510.437588 where: bonds (distance) C4'-P energy: -122.191 bonds (distance) P-C4' energy: -145.359 flat angles C4'-P-C4' energy: -140.057 flat angles P-C4'-P energy: -63.604 tors. eta vs tors. theta energy: -39.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -924.960121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.960121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.960121 (E_RNA) where: Base-Base interactions energy: -458.851 where: short stacking energy: -271.494 Base-Backbone interact. energy: 0.476 local terms energy: -466.585095 where: bonds (distance) C4'-P energy: -120.054 bonds (distance) P-C4' energy: -129.217 flat angles C4'-P-C4' energy: -100.497 flat angles P-C4'-P energy: -105.466 tors. eta vs tors. theta energy: -11.351 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: 9 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -604.344846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.344846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.344846 (E_RNA) where: Base-Base interactions energy: -222.490 where: short stacking energy: -175.872 Base-Backbone interact. energy: 3.397 local terms energy: -385.251489 where: bonds (distance) C4'-P energy: -128.266 bonds (distance) P-C4' energy: -118.822 flat angles C4'-P-C4' energy: -80.312 flat angles P-C4'-P energy: -74.784 tors. eta vs tors. theta energy: 16.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -2608.652488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.652488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.652488 (E_RNA) where: Base-Base interactions energy: -1780.196 where: short stacking energy: -742.991 Base-Backbone interact. energy: -3.842 local terms energy: -824.614742 where: bonds (distance) C4'-P energy: -141.505 bonds (distance) P-C4' energy: -162.533 flat angles C4'-P-C4' energy: -179.304 flat angles P-C4'-P energy: -129.920 tors. eta vs tors. theta energy: -211.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -2422.691092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.691092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.691092 (E_RNA) where: Base-Base interactions energy: -1628.505 where: short stacking energy: -688.897 Base-Backbone interact. energy: -4.051 local terms energy: -790.134283 where: bonds (distance) C4'-P energy: -166.265 bonds (distance) P-C4' energy: -151.161 flat angles C4'-P-C4' energy: -177.512 flat angles P-C4'-P energy: -107.311 tors. eta vs tors. theta energy: -187.886 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: 2 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -2381.042794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.042794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.042794 (E_RNA) where: Base-Base interactions energy: -1565.020 where: short stacking energy: -683.433 Base-Backbone interact. energy: -4.524 local terms energy: -811.499211 where: bonds (distance) C4'-P energy: -162.197 bonds (distance) P-C4' energy: -169.175 flat angles C4'-P-C4' energy: -169.773 flat angles P-C4'-P energy: -123.480 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: 4, replica: 8 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -2113.779540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.779540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.779540 (E_RNA) where: Base-Base interactions energy: -1404.960 where: short stacking energy: -596.596 Base-Backbone interact. energy: -0.166 local terms energy: -708.653485 where: bonds (distance) C4'-P energy: -151.197 bonds (distance) P-C4' energy: -141.196 flat angles C4'-P-C4' energy: -155.445 flat angles P-C4'-P energy: -110.983 tors. eta vs tors. theta energy: -149.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -1893.104510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.104510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.104510 (E_RNA) where: Base-Base interactions energy: -1244.716 where: short stacking energy: -526.902 Base-Backbone interact. energy: -4.424 local terms energy: -643.963828 where: bonds (distance) C4'-P energy: -147.576 bonds (distance) P-C4' energy: -136.659 flat angles C4'-P-C4' energy: -145.626 flat angles P-C4'-P energy: -96.788 tors. eta vs tors. theta energy: -117.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1789.401668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.401668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.401668 (E_RNA) where: Base-Base interactions energy: -1150.777 where: short stacking energy: -520.291 Base-Backbone interact. energy: 5.016 local terms energy: -643.640697 where: bonds (distance) C4'-P energy: -131.960 bonds (distance) P-C4' energy: -173.557 flat angles C4'-P-C4' energy: -147.357 flat angles P-C4'-P energy: -88.242 tors. eta vs tors. theta energy: -102.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1427.839760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.839760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.839760 (E_RNA) where: Base-Base interactions energy: -862.275 where: short stacking energy: -405.276 Base-Backbone interact. energy: 1.522 local terms energy: -567.086767 where: bonds (distance) C4'-P energy: -121.377 bonds (distance) P-C4' energy: -151.676 flat angles C4'-P-C4' energy: -113.688 flat angles P-C4'-P energy: -90.641 tors. eta vs tors. theta energy: -89.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1311.281980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.281980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.281980 (E_RNA) where: Base-Base interactions energy: -796.675 where: short stacking energy: -371.148 Base-Backbone interact. energy: -0.918 local terms energy: -513.688511 where: bonds (distance) C4'-P energy: -118.883 bonds (distance) P-C4' energy: -138.126 flat angles C4'-P-C4' energy: -106.562 flat angles P-C4'-P energy: -91.266 tors. eta vs tors. theta energy: -58.851 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: 9, replica: 7 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -984.461630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.461630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.461630 (E_RNA) where: Base-Base interactions energy: -524.034 where: short stacking energy: -310.100 Base-Backbone interact. energy: 6.553 local terms energy: -466.980588 where: bonds (distance) C4'-P energy: -140.905 bonds (distance) P-C4' energy: -130.660 flat angles C4'-P-C4' energy: -115.193 flat angles P-C4'-P energy: -67.804 tors. eta vs tors. theta energy: -12.419 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: 9 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -611.701816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.701816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.701816 (E_RNA) where: Base-Base interactions energy: -236.485 where: short stacking energy: -164.291 Base-Backbone interact. energy: -2.561 local terms energy: -372.655924 where: bonds (distance) C4'-P energy: -130.515 bonds (distance) P-C4' energy: -108.345 flat angles C4'-P-C4' energy: -104.378 flat angles P-C4'-P energy: -62.536 tors. eta vs tors. theta energy: 33.118 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: 1 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -2652.518918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.518918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.518918 (E_RNA) where: Base-Base interactions energy: -1833.714 where: short stacking energy: -759.936 Base-Backbone interact. energy: -0.179 local terms energy: -818.625336 where: bonds (distance) C4'-P energy: -136.647 bonds (distance) P-C4' energy: -164.089 flat angles C4'-P-C4' energy: -184.305 flat angles P-C4'-P energy: -114.791 tors. eta vs tors. theta energy: -218.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -2435.131759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.131759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.131759 (E_RNA) where: Base-Base interactions energy: -1635.701 where: short stacking energy: -709.885 Base-Backbone interact. energy: 0.422 local terms energy: -799.852631 where: bonds (distance) C4'-P energy: -133.911 bonds (distance) P-C4' energy: -161.772 flat angles C4'-P-C4' energy: -175.598 flat angles P-C4'-P energy: -128.469 tors. eta vs tors. theta energy: -200.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -2343.089951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.089951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.089951 (E_RNA) where: Base-Base interactions energy: -1578.541 where: short stacking energy: -699.441 Base-Backbone interact. energy: -1.294 local terms energy: -763.255498 where: bonds (distance) C4'-P energy: -139.455 bonds (distance) P-C4' energy: -148.725 flat angles C4'-P-C4' energy: -165.958 flat angles P-C4'-P energy: -116.623 tors. eta vs tors. theta energy: -192.495 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: 8 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -2075.545699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.545699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.545699 (E_RNA) where: Base-Base interactions energy: -1394.425 where: short stacking energy: -590.218 Base-Backbone interact. energy: -3.272 local terms energy: -677.849252 where: bonds (distance) C4'-P energy: -140.168 bonds (distance) P-C4' energy: -135.716 flat angles C4'-P-C4' energy: -153.912 flat angles P-C4'-P energy: -95.449 tors. eta vs tors. theta energy: -152.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -1946.514017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.514017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.514017 (E_RNA) where: Base-Base interactions energy: -1258.214 where: short stacking energy: -522.004 Base-Backbone interact. energy: 4.899 local terms energy: -693.199541 where: bonds (distance) C4'-P energy: -150.819 bonds (distance) P-C4' energy: -154.040 flat angles C4'-P-C4' energy: -158.622 flat angles P-C4'-P energy: -93.446 tors. eta vs tors. theta energy: -136.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1707.896265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.896265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.896265 (E_RNA) where: Base-Base interactions energy: -1089.408 where: short stacking energy: -501.848 Base-Backbone interact. energy: -1.780 local terms energy: -616.707834 where: bonds (distance) C4'-P energy: -137.743 bonds (distance) P-C4' energy: -122.182 flat angles C4'-P-C4' energy: -141.892 flat angles P-C4'-P energy: -104.191 tors. eta vs tors. theta energy: -110.699 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: 7, replica: 5 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1407.341337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.341337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.341337 (E_RNA) where: Base-Base interactions energy: -853.256 where: short stacking energy: -388.758 Base-Backbone interact. energy: -2.405 local terms energy: -551.680166 where: bonds (distance) C4'-P energy: -116.045 bonds (distance) P-C4' energy: -161.706 flat angles C4'-P-C4' energy: -116.384 flat angles P-C4'-P energy: -80.359 tors. eta vs tors. theta energy: -77.185 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: 8, replica: 6 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1310.344596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.344596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.344596 (E_RNA) where: Base-Base interactions energy: -763.532 where: short stacking energy: -364.375 Base-Backbone interact. energy: 2.147 local terms energy: -548.959465 where: bonds (distance) C4'-P energy: -140.717 bonds (distance) P-C4' energy: -141.492 flat angles C4'-P-C4' energy: -131.331 flat angles P-C4'-P energy: -58.402 tors. eta vs tors. theta energy: -77.018 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: 9, replica: 7 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -942.867702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.867702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.867702 (E_RNA) where: Base-Base interactions energy: -472.286 where: short stacking energy: -265.393 Base-Backbone interact. energy: 9.320 local terms energy: -479.902006 where: bonds (distance) C4'-P energy: -118.698 bonds (distance) P-C4' energy: -148.999 flat angles C4'-P-C4' energy: -137.327 flat angles P-C4'-P energy: -57.555 tors. eta vs tors. theta energy: -17.323 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: 9 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -607.179500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.179500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.179500 (E_RNA) where: Base-Base interactions energy: -198.925 where: short stacking energy: -164.099 Base-Backbone interact. energy: -2.263 local terms energy: -405.991360 where: bonds (distance) C4'-P energy: -120.835 bonds (distance) P-C4' energy: -141.510 flat angles C4'-P-C4' energy: -134.168 flat angles P-C4'-P energy: -49.324 tors. eta vs tors. theta energy: 39.846 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: 1, replica: 1 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -2658.215951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.215951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.215951 (E_RNA) where: Base-Base interactions energy: -1806.108 where: short stacking energy: -746.124 Base-Backbone interact. energy: -6.194 local terms energy: -845.914673 where: bonds (distance) C4'-P energy: -142.507 bonds (distance) P-C4' energy: -175.083 flat angles C4'-P-C4' energy: -192.545 flat angles P-C4'-P energy: -125.434 tors. eta vs tors. theta energy: -210.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -2413.684254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.684254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.684254 (E_RNA) where: Base-Base interactions energy: -1626.550 where: short stacking energy: -700.362 Base-Backbone interact. energy: -5.600 local terms energy: -781.534223 where: bonds (distance) C4'-P energy: -143.892 bonds (distance) P-C4' energy: -158.875 flat angles C4'-P-C4' energy: -175.501 flat angles P-C4'-P energy: -117.096 tors. eta vs tors. theta energy: -186.171 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: 2 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -2398.404982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.404982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.404982 (E_RNA) where: Base-Base interactions energy: -1609.826 where: short stacking energy: -722.010 Base-Backbone interact. energy: -1.719 local terms energy: -786.859638 where: bonds (distance) C4'-P energy: -149.236 bonds (distance) P-C4' energy: -156.112 flat angles C4'-P-C4' energy: -184.590 flat angles P-C4'-P energy: -101.738 tors. eta vs tors. theta energy: -195.184 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: 4, replica: 8 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -2075.047782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.047782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.047782 (E_RNA) where: Base-Base interactions energy: -1357.853 where: short stacking energy: -615.276 Base-Backbone interact. energy: -0.301 local terms energy: -716.893721 where: bonds (distance) C4'-P energy: -137.753 bonds (distance) P-C4' energy: -133.951 flat angles C4'-P-C4' energy: -158.310 flat angles P-C4'-P energy: -122.105 tors. eta vs tors. theta energy: -164.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -1983.490915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.490915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.490915 (E_RNA) where: Base-Base interactions energy: -1318.081 where: short stacking energy: -582.216 Base-Backbone interact. energy: 1.552 local terms energy: -666.961719 where: bonds (distance) C4'-P energy: -133.339 bonds (distance) P-C4' energy: -132.048 flat angles C4'-P-C4' energy: -154.363 flat angles P-C4'-P energy: -104.616 tors. eta vs tors. theta energy: -142.596 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: 6, replica: 3 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1674.141285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.141285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.141285 (E_RNA) where: Base-Base interactions energy: -1063.314 where: short stacking energy: -486.551 Base-Backbone interact. energy: -4.179 local terms energy: -606.647966 where: bonds (distance) C4'-P energy: -128.670 bonds (distance) P-C4' energy: -144.833 flat angles C4'-P-C4' energy: -137.518 flat angles P-C4'-P energy: -95.024 tors. eta vs tors. theta energy: -100.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1457.349616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.349616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.349616 (E_RNA) where: Base-Base interactions energy: -881.421 where: short stacking energy: -414.932 Base-Backbone interact. energy: -1.786 local terms energy: -574.143092 where: bonds (distance) C4'-P energy: -128.163 bonds (distance) P-C4' energy: -121.989 flat angles C4'-P-C4' energy: -139.128 flat angles P-C4'-P energy: -86.352 tors. eta vs tors. theta energy: -98.512 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: 6 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1327.284904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.284904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.284904 (E_RNA) where: Base-Base interactions energy: -794.292 where: short stacking energy: -380.610 Base-Backbone interact. energy: -4.499 local terms energy: -528.493498 where: bonds (distance) C4'-P energy: -128.585 bonds (distance) P-C4' energy: -139.763 flat angles C4'-P-C4' energy: -133.464 flat angles P-C4'-P energy: -63.897 tors. eta vs tors. theta energy: -62.784 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: 7 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -972.623068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.623068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.623068 (E_RNA) where: Base-Base interactions energy: -497.842 where: short stacking energy: -288.113 Base-Backbone interact. energy: -2.252 local terms energy: -472.528506 where: bonds (distance) C4'-P energy: -112.120 bonds (distance) P-C4' energy: -143.502 flat angles C4'-P-C4' energy: -119.779 flat angles P-C4'-P energy: -82.457 tors. eta vs tors. theta energy: -14.671 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: 10, replica: 9 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -646.987679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.987679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.987679 (E_RNA) where: Base-Base interactions energy: -266.182 where: short stacking energy: -167.649 Base-Backbone interact. energy: 7.440 local terms energy: -388.246113 where: bonds (distance) C4'-P energy: -126.687 bonds (distance) P-C4' energy: -120.047 flat angles C4'-P-C4' energy: -94.396 flat angles P-C4'-P energy: -72.166 tors. eta vs tors. theta energy: 25.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -2684.504005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.504005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.504005 (E_RNA) where: Base-Base interactions energy: -1830.959 where: short stacking energy: -780.792 Base-Backbone interact. energy: -0.096 local terms energy: -853.449096 where: bonds (distance) C4'-P energy: -141.149 bonds (distance) P-C4' energy: -172.801 flat angles C4'-P-C4' energy: -182.988 flat angles P-C4'-P energy: -122.564 tors. eta vs tors. theta energy: -233.947 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: 4 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -2458.840020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.840020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.840020 (E_RNA) where: Base-Base interactions energy: -1660.198 where: short stacking energy: -717.054 Base-Backbone interact. energy: -5.078 local terms energy: -793.564236 where: bonds (distance) C4'-P energy: -150.276 bonds (distance) P-C4' energy: -162.136 flat angles C4'-P-C4' energy: -162.313 flat angles P-C4'-P energy: -129.074 tors. eta vs tors. theta energy: -189.765 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: 2 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -2336.119726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.119726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.119726 (E_RNA) where: Base-Base interactions energy: -1568.859 where: short stacking energy: -688.447 Base-Backbone interact. energy: 0.647 local terms energy: -767.907336 where: bonds (distance) C4'-P energy: -143.962 bonds (distance) P-C4' energy: -157.416 flat angles C4'-P-C4' energy: -164.382 flat angles P-C4'-P energy: -106.362 tors. eta vs tors. theta energy: -195.786 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: 10 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -2144.085729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.085729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.085729 (E_RNA) where: Base-Base interactions energy: -1410.331 where: short stacking energy: -631.393 Base-Backbone interact. energy: -2.214 local terms energy: -731.540352 where: bonds (distance) C4'-P energy: -137.264 bonds (distance) P-C4' energy: -160.599 flat angles C4'-P-C4' energy: -167.254 flat angles P-C4'-P energy: -96.260 tors. eta vs tors. theta energy: -170.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -2056.649904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.649904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.649904 (E_RNA) where: Base-Base interactions energy: -1382.043 where: short stacking energy: -592.861 Base-Backbone interact. energy: -4.160 local terms energy: -670.447494 where: bonds (distance) C4'-P energy: -131.356 bonds (distance) P-C4' energy: -137.959 flat angles C4'-P-C4' energy: -148.628 flat angles P-C4'-P energy: -99.079 tors. eta vs tors. theta energy: -153.425 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: 6, replica: 3 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1627.866943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.866943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.866943 (E_RNA) where: Base-Base interactions energy: -1017.783 where: short stacking energy: -465.527 Base-Backbone interact. energy: -3.427 local terms energy: -606.656988 where: bonds (distance) C4'-P energy: -146.397 bonds (distance) P-C4' energy: -140.731 flat angles C4'-P-C4' energy: -129.791 flat angles P-C4'-P energy: -88.376 tors. eta vs tors. theta energy: -101.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1447.353363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.353363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.353363 (E_RNA) where: Base-Base interactions energy: -906.883 where: short stacking energy: -450.987 Base-Backbone interact. energy: -2.288 local terms energy: -538.182117 where: bonds (distance) C4'-P energy: -122.181 bonds (distance) P-C4' energy: -129.824 flat angles C4'-P-C4' energy: -125.081 flat angles P-C4'-P energy: -76.725 tors. eta vs tors. theta energy: -84.370 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: 6 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1341.071811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.071811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.071811 (E_RNA) where: Base-Base interactions energy: -824.747 where: short stacking energy: -383.968 Base-Backbone interact. energy: -2.196 local terms energy: -514.128550 where: bonds (distance) C4'-P energy: -125.411 bonds (distance) P-C4' energy: -143.153 flat angles C4'-P-C4' energy: -109.786 flat angles P-C4'-P energy: -65.146 tors. eta vs tors. theta energy: -70.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -940.943255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.943255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.943255 (E_RNA) where: Base-Base interactions energy: -511.410 where: short stacking energy: -285.853 Base-Backbone interact. energy: 1.337 local terms energy: -430.870204 where: bonds (distance) C4'-P energy: -119.607 bonds (distance) P-C4' energy: -109.234 flat angles C4'-P-C4' energy: -116.618 flat angles P-C4'-P energy: -72.244 tors. eta vs tors. theta energy: -13.167 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: 10, replica: 9 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -663.272018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.272018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.272018 (E_RNA) where: Base-Base interactions energy: -278.313 where: short stacking energy: -175.634 Base-Backbone interact. energy: -0.881 local terms energy: -384.078428 where: bonds (distance) C4'-P energy: -132.233 bonds (distance) P-C4' energy: -133.435 flat angles C4'-P-C4' energy: -89.278 flat angles P-C4'-P energy: -53.973 tors. eta vs tors. theta energy: 24.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -2657.775349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.775349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.775349 (E_RNA) where: Base-Base interactions energy: -1833.816 where: short stacking energy: -760.901 Base-Backbone interact. energy: -3.202 local terms energy: -820.756878 where: bonds (distance) C4'-P energy: -168.659 bonds (distance) P-C4' energy: -147.920 flat angles C4'-P-C4' energy: -172.168 flat angles P-C4'-P energy: -101.288 tors. eta vs tors. theta energy: -230.723 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: 4 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2410.390908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.390908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.390908 (E_RNA) where: Base-Base interactions energy: -1619.261 where: short stacking energy: -707.020 Base-Backbone interact. energy: -7.845 local terms energy: -783.284710 where: bonds (distance) C4'-P energy: -141.107 bonds (distance) P-C4' energy: -159.558 flat angles C4'-P-C4' energy: -172.482 flat angles P-C4'-P energy: -108.685 tors. eta vs tors. theta energy: -201.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -2353.504713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.504713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.504713 (E_RNA) where: Base-Base interactions energy: -1561.808 where: short stacking energy: -708.802 Base-Backbone interact. energy: -2.273 local terms energy: -789.423769 where: bonds (distance) C4'-P energy: -165.725 bonds (distance) P-C4' energy: -149.285 flat angles C4'-P-C4' energy: -168.066 flat angles P-C4'-P energy: -108.520 tors. eta vs tors. theta energy: -197.828 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: 10 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -2086.784026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.784026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.784026 (E_RNA) where: Base-Base interactions energy: -1373.189 where: short stacking energy: -620.419 Base-Backbone interact. energy: 0.319 local terms energy: -713.913682 where: bonds (distance) C4'-P energy: -148.301 bonds (distance) P-C4' energy: -146.928 flat angles C4'-P-C4' energy: -151.861 flat angles P-C4'-P energy: -104.606 tors. eta vs tors. theta energy: -162.219 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: 8 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -2070.317137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.317137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.317137 (E_RNA) where: Base-Base interactions energy: -1379.465 where: short stacking energy: -573.976 Base-Backbone interact. energy: -4.907 local terms energy: -685.944711 where: bonds (distance) C4'-P energy: -133.798 bonds (distance) P-C4' energy: -140.129 flat angles C4'-P-C4' energy: -151.594 flat angles P-C4'-P energy: -109.069 tors. eta vs tors. theta energy: -151.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1636.454382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.454382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.454382 (E_RNA) where: Base-Base interactions energy: -1029.162 where: short stacking energy: -486.091 Base-Backbone interact. energy: -3.297 local terms energy: -603.995058 where: bonds (distance) C4'-P energy: -132.643 bonds (distance) P-C4' energy: -130.646 flat angles C4'-P-C4' energy: -158.826 flat angles P-C4'-P energy: -90.732 tors. eta vs tors. theta energy: -91.148 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: 5 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1475.206468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.206468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.206468 (E_RNA) where: Base-Base interactions energy: -917.816 where: short stacking energy: -456.024 Base-Backbone interact. energy: -0.756 local terms energy: -556.633998 where: bonds (distance) C4'-P energy: -116.908 bonds (distance) P-C4' energy: -140.098 flat angles C4'-P-C4' energy: -134.442 flat angles P-C4'-P energy: -99.756 tors. eta vs tors. theta energy: -65.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1329.130296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.130296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.130296 (E_RNA) where: Base-Base interactions energy: -797.927 where: short stacking energy: -369.134 Base-Backbone interact. energy: 2.849 local terms energy: -534.052321 where: bonds (distance) C4'-P energy: -125.388 bonds (distance) P-C4' energy: -146.412 flat angles C4'-P-C4' energy: -134.720 flat angles P-C4'-P energy: -77.066 tors. eta vs tors. theta energy: -50.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -1060.727383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.727383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.727383 (E_RNA) where: Base-Base interactions energy: -582.317 where: short stacking energy: -305.798 Base-Backbone interact. energy: -1.936 local terms energy: -476.474931 where: bonds (distance) C4'-P energy: -106.987 bonds (distance) P-C4' energy: -149.933 flat angles C4'-P-C4' energy: -128.545 flat angles P-C4'-P energy: -67.345 tors. eta vs tors. theta energy: -23.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -628.688469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.688469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.688469 (E_RNA) where: Base-Base interactions energy: -245.652 where: short stacking energy: -159.801 Base-Backbone interact. energy: 9.582 local terms energy: -392.618598 where: bonds (distance) C4'-P energy: -141.124 bonds (distance) P-C4' energy: -128.185 flat angles C4'-P-C4' energy: -110.513 flat angles P-C4'-P energy: -51.828 tors. eta vs tors. theta energy: 39.031 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: 1, replica: 1 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -2626.406427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.406427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.406427 (E_RNA) where: Base-Base interactions energy: -1795.772 where: short stacking energy: -753.373 Base-Backbone interact. energy: -2.129 local terms energy: -828.505162 where: bonds (distance) C4'-P energy: -162.000 bonds (distance) P-C4' energy: -148.682 flat angles C4'-P-C4' energy: -182.053 flat angles P-C4'-P energy: -126.560 tors. eta vs tors. theta energy: -209.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2388.639523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.639523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.639523 (E_RNA) where: Base-Base interactions energy: -1594.712 where: short stacking energy: -717.192 Base-Backbone interact. energy: 2.660 local terms energy: -796.587496 where: bonds (distance) C4'-P energy: -148.028 bonds (distance) P-C4' energy: -157.104 flat angles C4'-P-C4' energy: -180.976 flat angles P-C4'-P energy: -112.970 tors. eta vs tors. theta energy: -197.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -2330.952131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.952131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.952131 (E_RNA) where: Base-Base interactions energy: -1561.613 where: short stacking energy: -669.191 Base-Backbone interact. energy: -3.352 local terms energy: -765.987312 where: bonds (distance) C4'-P energy: -159.673 bonds (distance) P-C4' energy: -144.499 flat angles C4'-P-C4' energy: -169.685 flat angles P-C4'-P energy: -106.995 tors. eta vs tors. theta energy: -185.135 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: 8 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -2208.408230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.408230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.408230 (E_RNA) where: Base-Base interactions energy: -1482.790 where: short stacking energy: -644.777 Base-Backbone interact. energy: -3.519 local terms energy: -722.099215 where: bonds (distance) C4'-P energy: -135.148 bonds (distance) P-C4' energy: -154.638 flat angles C4'-P-C4' energy: -154.708 flat angles P-C4'-P energy: -115.842 tors. eta vs tors. theta energy: -161.764 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: 10 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -2028.370947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.370947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.370947 (E_RNA) where: Base-Base interactions energy: -1348.108 where: short stacking energy: -586.117 Base-Backbone interact. energy: -2.469 local terms energy: -677.793600 where: bonds (distance) C4'-P energy: -127.859 bonds (distance) P-C4' energy: -141.998 flat angles C4'-P-C4' energy: -152.686 flat angles P-C4'-P energy: -97.863 tors. eta vs tors. theta energy: -157.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1664.270765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.270765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.270765 (E_RNA) where: Base-Base interactions energy: -1034.771 where: short stacking energy: -442.242 Base-Backbone interact. energy: 1.156 local terms energy: -630.655799 where: bonds (distance) C4'-P energy: -146.939 bonds (distance) P-C4' energy: -133.929 flat angles C4'-P-C4' energy: -152.575 flat angles P-C4'-P energy: -99.588 tors. eta vs tors. theta energy: -97.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1449.174769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.174769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.174769 (E_RNA) where: Base-Base interactions energy: -885.699 where: short stacking energy: -443.151 Base-Backbone interact. energy: -0.666 local terms energy: -562.809906 where: bonds (distance) C4'-P energy: -123.719 bonds (distance) P-C4' energy: -126.176 flat angles C4'-P-C4' energy: -148.969 flat angles P-C4'-P energy: -81.432 tors. eta vs tors. theta energy: -82.515 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: 6 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1361.874803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.874803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.874803 (E_RNA) where: Base-Base interactions energy: -817.236 where: short stacking energy: -373.734 Base-Backbone interact. energy: 0.954 local terms energy: -545.593140 where: bonds (distance) C4'-P energy: -150.060 bonds (distance) P-C4' energy: -155.244 flat angles C4'-P-C4' energy: -104.273 flat angles P-C4'-P energy: -76.561 tors. eta vs tors. theta energy: -59.454 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: 7 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -991.303144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.303144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.303144 (E_RNA) where: Base-Base interactions energy: -513.800 where: short stacking energy: -295.439 Base-Backbone interact. energy: 7.777 local terms energy: -485.279717 where: bonds (distance) C4'-P energy: -147.185 bonds (distance) P-C4' energy: -121.233 flat angles C4'-P-C4' energy: -112.912 flat angles P-C4'-P energy: -89.218 tors. eta vs tors. theta energy: -14.731 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: 9 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -613.218960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.218960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.218960 (E_RNA) where: Base-Base interactions energy: -220.621 where: short stacking energy: -160.165 Base-Backbone interact. energy: 6.619 local terms energy: -399.217615 where: bonds (distance) C4'-P energy: -119.826 bonds (distance) P-C4' energy: -151.041 flat angles C4'-P-C4' energy: -97.421 flat angles P-C4'-P energy: -55.891 tors. eta vs tors. theta energy: 24.961 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: 1 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -2642.052353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.052353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.052353 (E_RNA) where: Base-Base interactions energy: -1787.804 where: short stacking energy: -753.164 Base-Backbone interact. energy: -2.677 local terms energy: -851.570905 where: bonds (distance) C4'-P energy: -163.926 bonds (distance) P-C4' energy: -175.827 flat angles C4'-P-C4' energy: -189.260 flat angles P-C4'-P energy: -105.649 tors. eta vs tors. theta energy: -216.908 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: 4 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -2414.848759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.848759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.848759 (E_RNA) where: Base-Base interactions energy: -1618.138 where: short stacking energy: -724.266 Base-Backbone interact. energy: -0.669 local terms energy: -796.041320 where: bonds (distance) C4'-P energy: -165.281 bonds (distance) P-C4' energy: -161.360 flat angles C4'-P-C4' energy: -159.317 flat angles P-C4'-P energy: -109.054 tors. eta vs tors. theta energy: -201.029 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: 2 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -2355.174929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.174929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.174929 (E_RNA) where: Base-Base interactions energy: -1581.080 where: short stacking energy: -682.297 Base-Backbone interact. energy: -1.445 local terms energy: -772.650216 where: bonds (distance) C4'-P energy: -134.151 bonds (distance) P-C4' energy: -169.415 flat angles C4'-P-C4' energy: -173.652 flat angles P-C4'-P energy: -100.294 tors. eta vs tors. theta energy: -195.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -2269.474022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.474022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.474022 (E_RNA) where: Base-Base interactions energy: -1530.555 where: short stacking energy: -656.853 Base-Backbone interact. energy: -3.701 local terms energy: -735.218685 where: bonds (distance) C4'-P energy: -152.541 bonds (distance) P-C4' energy: -128.050 flat angles C4'-P-C4' energy: -171.059 flat angles P-C4'-P energy: -95.591 tors. eta vs tors. theta energy: -187.978 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: 10 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -1968.427076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.427076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.427076 (E_RNA) where: Base-Base interactions energy: -1288.025 where: short stacking energy: -549.293 Base-Backbone interact. energy: -2.077 local terms energy: -678.325228 where: bonds (distance) C4'-P energy: -145.599 bonds (distance) P-C4' energy: -145.124 flat angles C4'-P-C4' energy: -143.263 flat angles P-C4'-P energy: -110.707 tors. eta vs tors. theta energy: -133.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1739.955472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.955472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.955472 (E_RNA) where: Base-Base interactions energy: -1087.844 where: short stacking energy: -524.679 Base-Backbone interact. energy: -1.722 local terms energy: -650.389466 where: bonds (distance) C4'-P energy: -138.042 bonds (distance) P-C4' energy: -152.837 flat angles C4'-P-C4' energy: -145.376 flat angles P-C4'-P energy: -105.580 tors. eta vs tors. theta energy: -108.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1429.807652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.807652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.807652 (E_RNA) where: Base-Base interactions energy: -874.811 where: short stacking energy: -426.816 Base-Backbone interact. energy: -2.467 local terms energy: -552.529591 where: bonds (distance) C4'-P energy: -135.649 bonds (distance) P-C4' energy: -148.336 flat angles C4'-P-C4' energy: -141.368 flat angles P-C4'-P energy: -66.535 tors. eta vs tors. theta energy: -60.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1382.777754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.777754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.777754 (E_RNA) where: Base-Base interactions energy: -834.015 where: short stacking energy: -418.739 Base-Backbone interact. energy: 6.094 local terms energy: -554.856813 where: bonds (distance) C4'-P energy: -127.031 bonds (distance) P-C4' energy: -150.168 flat angles C4'-P-C4' energy: -137.763 flat angles P-C4'-P energy: -66.378 tors. eta vs tors. theta energy: -73.518 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: 9, replica: 7 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -966.073264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.073264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.073264 (E_RNA) where: Base-Base interactions energy: -504.103 where: short stacking energy: -253.130 Base-Backbone interact. energy: -3.010 local terms energy: -458.960405 where: bonds (distance) C4'-P energy: -116.751 bonds (distance) P-C4' energy: -135.733 flat angles C4'-P-C4' energy: -123.048 flat angles P-C4'-P energy: -70.280 tors. eta vs tors. theta energy: -13.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -644.129225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.129225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.129225 (E_RNA) where: Base-Base interactions energy: -268.234 where: short stacking energy: -191.040 Base-Backbone interact. energy: -1.790 local terms energy: -374.104638 where: bonds (distance) C4'-P energy: -107.726 bonds (distance) P-C4' energy: -131.219 flat angles C4'-P-C4' energy: -117.022 flat angles P-C4'-P energy: -56.815 tors. eta vs tors. theta energy: 38.677 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: 1, replica: 1 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -2655.168521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.168521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.168521 (E_RNA) where: Base-Base interactions energy: -1837.765 where: short stacking energy: -750.200 Base-Backbone interact. energy: -1.362 local terms energy: -816.041412 where: bonds (distance) C4'-P energy: -156.667 bonds (distance) P-C4' energy: -164.659 flat angles C4'-P-C4' energy: -172.526 flat angles P-C4'-P energy: -114.536 tors. eta vs tors. theta energy: -207.652 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: 4 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2417.793765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.793765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.793765 (E_RNA) where: Base-Base interactions energy: -1654.795 where: short stacking energy: -739.127 Base-Backbone interact. energy: -2.793 local terms energy: -760.205894 where: bonds (distance) C4'-P energy: -139.356 bonds (distance) P-C4' energy: -159.844 flat angles C4'-P-C4' energy: -159.121 flat angles P-C4'-P energy: -102.364 tors. eta vs tors. theta energy: -199.521 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: 2 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -2366.960377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.960377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.960377 (E_RNA) where: Base-Base interactions energy: -1590.837 where: short stacking energy: -691.105 Base-Backbone interact. energy: -4.215 local terms energy: -771.908868 where: bonds (distance) C4'-P energy: -153.957 bonds (distance) P-C4' energy: -152.125 flat angles C4'-P-C4' energy: -166.334 flat angles P-C4'-P energy: -100.039 tors. eta vs tors. theta energy: -199.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -2279.616098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.616098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.616098 (E_RNA) where: Base-Base interactions energy: -1539.356 where: short stacking energy: -639.411 Base-Backbone interact. energy: -6.980 local terms energy: -733.280069 where: bonds (distance) C4'-P energy: -148.295 bonds (distance) P-C4' energy: -152.167 flat angles C4'-P-C4' energy: -158.423 flat angles P-C4'-P energy: -102.773 tors. eta vs tors. theta energy: -171.622 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: 10 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -2066.573156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.573156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.573156 (E_RNA) where: Base-Base interactions energy: -1403.254 where: short stacking energy: -568.372 Base-Backbone interact. energy: 4.541 local terms energy: -667.860624 where: bonds (distance) C4'-P energy: -123.560 bonds (distance) P-C4' energy: -147.846 flat angles C4'-P-C4' energy: -157.230 flat angles P-C4'-P energy: -111.079 tors. eta vs tors. theta energy: -128.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1693.313016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.313016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.313016 (E_RNA) where: Base-Base interactions energy: -1055.125 where: short stacking energy: -494.471 Base-Backbone interact. energy: -1.000 local terms energy: -637.187914 where: bonds (distance) C4'-P energy: -135.126 bonds (distance) P-C4' energy: -134.802 flat angles C4'-P-C4' energy: -145.484 flat angles P-C4'-P energy: -107.956 tors. eta vs tors. theta energy: -113.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1483.714991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.714991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.714991 (E_RNA) where: Base-Base interactions energy: -925.460 where: short stacking energy: -445.807 Base-Backbone interact. energy: 3.960 local terms energy: -562.214683 where: bonds (distance) C4'-P energy: -121.558 bonds (distance) P-C4' energy: -146.325 flat angles C4'-P-C4' energy: -128.130 flat angles P-C4'-P energy: -75.613 tors. eta vs tors. theta energy: -90.589 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: 6 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1349.893736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.893736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.893736 (E_RNA) where: Base-Base interactions energy: -807.666 where: short stacking energy: -378.116 Base-Backbone interact. energy: -1.371 local terms energy: -540.856213 where: bonds (distance) C4'-P energy: -116.038 bonds (distance) P-C4' energy: -155.956 flat angles C4'-P-C4' energy: -120.592 flat angles P-C4'-P energy: -73.527 tors. eta vs tors. theta energy: -74.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -1043.294962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.294962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.294962 (E_RNA) where: Base-Base interactions energy: -591.933 where: short stacking energy: -279.371 Base-Backbone interact. energy: -0.059 local terms energy: -451.302890 where: bonds (distance) C4'-P energy: -132.329 bonds (distance) P-C4' energy: -121.208 flat angles C4'-P-C4' energy: -122.289 flat angles P-C4'-P energy: -63.434 tors. eta vs tors. theta energy: -12.043 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: 10, replica: 9 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -674.658705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.658705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.658705 (E_RNA) where: Base-Base interactions energy: -248.669 where: short stacking energy: -169.578 Base-Backbone interact. energy: 0.385 local terms energy: -426.374842 where: bonds (distance) C4'-P energy: -130.011 bonds (distance) P-C4' energy: -149.128 flat angles C4'-P-C4' energy: -117.863 flat angles P-C4'-P energy: -53.346 tors. eta vs tors. theta energy: 23.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -2669.398755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.398755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.398755 (E_RNA) where: Base-Base interactions energy: -1804.850 where: short stacking energy: -774.569 Base-Backbone interact. energy: 1.132 local terms energy: -865.680818 where: bonds (distance) C4'-P energy: -169.941 bonds (distance) P-C4' energy: -160.863 flat angles C4'-P-C4' energy: -177.167 flat angles P-C4'-P energy: -131.561 tors. eta vs tors. theta energy: -226.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2426.636930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.636930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.636930 (E_RNA) where: Base-Base interactions energy: -1631.647 where: short stacking energy: -729.470 Base-Backbone interact. energy: -4.037 local terms energy: -790.952931 where: bonds (distance) C4'-P energy: -154.339 bonds (distance) P-C4' energy: -161.146 flat angles C4'-P-C4' energy: -168.100 flat angles P-C4'-P energy: -111.197 tors. eta vs tors. theta energy: -196.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -2371.506292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.506292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.506292 (E_RNA) where: Base-Base interactions energy: -1575.831 where: short stacking energy: -681.936 Base-Backbone interact. energy: -1.956 local terms energy: -793.719125 where: bonds (distance) C4'-P energy: -165.695 bonds (distance) P-C4' energy: -155.520 flat angles C4'-P-C4' energy: -160.811 flat angles P-C4'-P energy: -117.261 tors. eta vs tors. theta energy: -194.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -2284.841179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.841179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.841179 (E_RNA) where: Base-Base interactions energy: -1564.464 where: short stacking energy: -670.185 Base-Backbone interact. energy: 1.011 local terms energy: -721.388462 where: bonds (distance) C4'-P energy: -128.339 bonds (distance) P-C4' energy: -152.312 flat angles C4'-P-C4' energy: -163.595 flat angles P-C4'-P energy: -87.662 tors. eta vs tors. theta energy: -189.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -1992.423457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.423457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.423457 (E_RNA) where: Base-Base interactions energy: -1318.914 where: short stacking energy: -619.632 Base-Backbone interact. energy: 0.827 local terms energy: -674.336285 where: bonds (distance) C4'-P energy: -149.911 bonds (distance) P-C4' energy: -126.261 flat angles C4'-P-C4' energy: -157.839 flat angles P-C4'-P energy: -93.442 tors. eta vs tors. theta energy: -146.884 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: 3 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1681.887288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.887288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.887288 (E_RNA) where: Base-Base interactions energy: -1089.619 where: short stacking energy: -501.581 Base-Backbone interact. energy: -0.248 local terms energy: -592.020768 where: bonds (distance) C4'-P energy: -141.358 bonds (distance) P-C4' energy: -149.070 flat angles C4'-P-C4' energy: -132.872 flat angles P-C4'-P energy: -79.070 tors. eta vs tors. theta energy: -89.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1500.253130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.253130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.253130 (E_RNA) where: Base-Base interactions energy: -882.647 where: short stacking energy: -419.967 Base-Backbone interact. energy: -1.846 local terms energy: -615.760596 where: bonds (distance) C4'-P energy: -144.172 bonds (distance) P-C4' energy: -143.555 flat angles C4'-P-C4' energy: -140.704 flat angles P-C4'-P energy: -93.945 tors. eta vs tors. theta energy: -93.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1325.387907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.387907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.387907 (E_RNA) where: Base-Base interactions energy: -806.713 where: short stacking energy: -393.800 Base-Backbone interact. energy: -2.356 local terms energy: -516.318541 where: bonds (distance) C4'-P energy: -121.809 bonds (distance) P-C4' energy: -122.187 flat angles C4'-P-C4' energy: -146.293 flat angles P-C4'-P energy: -72.771 tors. eta vs tors. theta energy: -53.259 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: 9, replica: 7 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -1163.980354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.980354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.980354 (E_RNA) where: Base-Base interactions energy: -624.531 where: short stacking energy: -321.036 Base-Backbone interact. energy: -1.270 local terms energy: -538.179115 where: bonds (distance) C4'-P energy: -120.735 bonds (distance) P-C4' energy: -146.466 flat angles C4'-P-C4' energy: -141.502 flat angles P-C4'-P energy: -83.467 tors. eta vs tors. theta energy: -46.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -709.270043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.270043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.270043 (E_RNA) where: Base-Base interactions energy: -303.016 where: short stacking energy: -194.352 Base-Backbone interact. energy: 2.835 local terms energy: -409.088341 where: bonds (distance) C4'-P energy: -126.901 bonds (distance) P-C4' energy: -152.305 flat angles C4'-P-C4' energy: -95.280 flat angles P-C4'-P energy: -45.731 tors. eta vs tors. theta energy: 11.128 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: 1 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -2659.833947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.833947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.833947 (E_RNA) where: Base-Base interactions energy: -1836.027 where: short stacking energy: -767.871 Base-Backbone interact. energy: -1.642 local terms energy: -822.165840 where: bonds (distance) C4'-P energy: -152.400 bonds (distance) P-C4' energy: -167.106 flat angles C4'-P-C4' energy: -178.610 flat angles P-C4'-P energy: -109.268 tors. eta vs tors. theta energy: -214.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -2504.475566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.475566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.475566 (E_RNA) where: Base-Base interactions energy: -1690.284 where: short stacking energy: -740.080 Base-Backbone interact. energy: 1.245 local terms energy: -815.436471 where: bonds (distance) C4'-P energy: -148.288 bonds (distance) P-C4' energy: -154.836 flat angles C4'-P-C4' energy: -187.120 flat angles P-C4'-P energy: -118.425 tors. eta vs tors. theta energy: -206.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -2390.117709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.117709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.117709 (E_RNA) where: Base-Base interactions energy: -1615.881 where: short stacking energy: -676.565 Base-Backbone interact. energy: -5.655 local terms energy: -768.581929 where: bonds (distance) C4'-P energy: -157.456 bonds (distance) P-C4' energy: -146.272 flat angles C4'-P-C4' energy: -173.006 flat angles P-C4'-P energy: -112.117 tors. eta vs tors. theta energy: -179.731 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: 2 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -2254.751758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.751758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.751758 (E_RNA) where: Base-Base interactions energy: -1491.447 where: short stacking energy: -636.612 Base-Backbone interact. energy: 4.605 local terms energy: -767.909892 where: bonds (distance) C4'-P energy: -170.056 bonds (distance) P-C4' energy: -150.105 flat angles C4'-P-C4' energy: -180.518 flat angles P-C4'-P energy: -88.124 tors. eta vs tors. theta energy: -179.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -1998.844812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.844812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.844812 (E_RNA) where: Base-Base interactions energy: -1277.744 where: short stacking energy: -577.033 Base-Backbone interact. energy: -3.704 local terms energy: -717.396249 where: bonds (distance) C4'-P energy: -158.902 bonds (distance) P-C4' energy: -151.192 flat angles C4'-P-C4' energy: -167.540 flat angles P-C4'-P energy: -88.591 tors. eta vs tors. theta energy: -151.171 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: 3 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1736.728383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.728383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.728383 (E_RNA) where: Base-Base interactions energy: -1091.476 where: short stacking energy: -469.980 Base-Backbone interact. energy: -3.022 local terms energy: -642.230585 where: bonds (distance) C4'-P energy: -150.801 bonds (distance) P-C4' energy: -143.319 flat angles C4'-P-C4' energy: -144.277 flat angles P-C4'-P energy: -105.250 tors. eta vs tors. theta energy: -98.584 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: 7, replica: 5 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1494.263336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.263336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.263336 (E_RNA) where: Base-Base interactions energy: -911.970 where: short stacking energy: -455.871 Base-Backbone interact. energy: 2.420 local terms energy: -584.712685 where: bonds (distance) C4'-P energy: -123.473 bonds (distance) P-C4' energy: -152.788 flat angles C4'-P-C4' energy: -139.087 flat angles P-C4'-P energy: -80.252 tors. eta vs tors. theta energy: -89.112 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: 6 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1322.709314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.709314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.709314 (E_RNA) where: Base-Base interactions energy: -781.757 where: short stacking energy: -372.631 Base-Backbone interact. energy: -1.554 local terms energy: -539.398336 where: bonds (distance) C4'-P energy: -136.028 bonds (distance) P-C4' energy: -131.960 flat angles C4'-P-C4' energy: -125.695 flat angles P-C4'-P energy: -95.039 tors. eta vs tors. theta energy: -50.676 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: 7 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -1055.961383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.961383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.961383 (E_RNA) where: Base-Base interactions energy: -557.389 where: short stacking energy: -284.995 Base-Backbone interact. energy: 3.642 local terms energy: -502.214066 where: bonds (distance) C4'-P energy: -137.499 bonds (distance) P-C4' energy: -151.512 flat angles C4'-P-C4' energy: -116.922 flat angles P-C4'-P energy: -69.799 tors. eta vs tors. theta energy: -26.482 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: 10, replica: 9 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -667.214844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.214844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.214844 (E_RNA) where: Base-Base interactions energy: -270.743 where: short stacking energy: -191.610 Base-Backbone interact. energy: 2.270 local terms energy: -398.742061 where: bonds (distance) C4'-P energy: -118.882 bonds (distance) P-C4' energy: -145.877 flat angles C4'-P-C4' energy: -94.337 flat angles P-C4'-P energy: -66.323 tors. eta vs tors. theta energy: 26.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -2667.793337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.793337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.793337 (E_RNA) where: Base-Base interactions energy: -1848.685 where: short stacking energy: -758.809 Base-Backbone interact. energy: -3.726 local terms energy: -815.382387 where: bonds (distance) C4'-P energy: -182.179 bonds (distance) P-C4' energy: -150.134 flat angles C4'-P-C4' energy: -163.587 flat angles P-C4'-P energy: -109.590 tors. eta vs tors. theta energy: -209.893 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: 4 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -2463.012465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.012465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.012465 (E_RNA) where: Base-Base interactions energy: -1667.534 where: short stacking energy: -747.647 Base-Backbone interact. energy: -4.281 local terms energy: -791.197725 where: bonds (distance) C4'-P energy: -144.661 bonds (distance) P-C4' energy: -155.781 flat angles C4'-P-C4' energy: -164.157 flat angles P-C4'-P energy: -123.131 tors. eta vs tors. theta energy: -203.468 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: 8 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -2412.945832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.945832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.945832 (E_RNA) where: Base-Base interactions energy: -1628.399 where: short stacking energy: -691.424 Base-Backbone interact. energy: -2.184 local terms energy: -782.362426 where: bonds (distance) C4'-P energy: -150.855 bonds (distance) P-C4' energy: -150.422 flat angles C4'-P-C4' energy: -173.917 flat angles P-C4'-P energy: -119.246 tors. eta vs tors. theta energy: -187.923 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: 2 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -2288.650249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.650249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.650249 (E_RNA) where: Base-Base interactions energy: -1554.890 where: short stacking energy: -678.169 Base-Backbone interact. energy: -2.861 local terms energy: -730.899874 where: bonds (distance) C4'-P energy: -142.853 bonds (distance) P-C4' energy: -152.375 flat angles C4'-P-C4' energy: -162.395 flat angles P-C4'-P energy: -103.040 tors. eta vs tors. theta energy: -170.238 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: 5, replica: 10 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -1925.180782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.180782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.180782 (E_RNA) where: Base-Base interactions energy: -1241.619 where: short stacking energy: -573.322 Base-Backbone interact. energy: -0.377 local terms energy: -683.184421 where: bonds (distance) C4'-P energy: -146.369 bonds (distance) P-C4' energy: -150.480 flat angles C4'-P-C4' energy: -148.753 flat angles P-C4'-P energy: -92.884 tors. eta vs tors. theta energy: -144.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1678.583590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.583590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.583590 (E_RNA) where: Base-Base interactions energy: -1095.361 where: short stacking energy: -463.559 Base-Backbone interact. energy: 2.658 local terms energy: -585.880061 where: bonds (distance) C4'-P energy: -129.839 bonds (distance) P-C4' energy: -136.280 flat angles C4'-P-C4' energy: -132.133 flat angles P-C4'-P energy: -85.088 tors. eta vs tors. theta energy: -102.540 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: 5 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1548.818407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.818407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.818407 (E_RNA) where: Base-Base interactions energy: -954.064 where: short stacking energy: -448.021 Base-Backbone interact. energy: 4.558 local terms energy: -599.312135 where: bonds (distance) C4'-P energy: -130.576 bonds (distance) P-C4' energy: -143.951 flat angles C4'-P-C4' energy: -155.539 flat angles P-C4'-P energy: -68.888 tors. eta vs tors. theta energy: -100.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1362.929381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.929381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.929381 (E_RNA) where: Base-Base interactions energy: -814.184 where: short stacking energy: -388.504 Base-Backbone interact. energy: 4.246 local terms energy: -552.991186 where: bonds (distance) C4'-P energy: -135.389 bonds (distance) P-C4' energy: -140.681 flat angles C4'-P-C4' energy: -149.745 flat angles P-C4'-P energy: -65.788 tors. eta vs tors. theta energy: -61.389 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: 7 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -1055.386968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.386968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.386968 (E_RNA) where: Base-Base interactions energy: -581.772 where: short stacking energy: -280.942 Base-Backbone interact. energy: 2.882 local terms energy: -476.497647 where: bonds (distance) C4'-P energy: -146.406 bonds (distance) P-C4' energy: -135.508 flat angles C4'-P-C4' energy: -102.469 flat angles P-C4'-P energy: -70.205 tors. eta vs tors. theta energy: -21.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -650.415847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.415847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.415847 (E_RNA) where: Base-Base interactions energy: -237.621 where: short stacking energy: -169.124 Base-Backbone interact. energy: -2.435 local terms energy: -410.359940 where: bonds (distance) C4'-P energy: -132.499 bonds (distance) P-C4' energy: -116.360 flat angles C4'-P-C4' energy: -96.410 flat angles P-C4'-P energy: -84.630 tors. eta vs tors. theta energy: 19.538 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: 1, replica: 1 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -2647.034666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.034666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.034666 (E_RNA) where: Base-Base interactions energy: -1818.969 where: short stacking energy: -752.837 Base-Backbone interact. energy: -4.281 local terms energy: -823.785153 where: bonds (distance) C4'-P energy: -164.215 bonds (distance) P-C4' energy: -142.735 flat angles C4'-P-C4' energy: -188.294 flat angles P-C4'-P energy: -115.163 tors. eta vs tors. theta energy: -213.378 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: 4 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2393.888685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.888685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.888685 (E_RNA) where: Base-Base interactions energy: -1598.866 where: short stacking energy: -710.230 Base-Backbone interact. energy: 0.422 local terms energy: -795.444859 where: bonds (distance) C4'-P energy: -154.779 bonds (distance) P-C4' energy: -163.974 flat angles C4'-P-C4' energy: -178.198 flat angles P-C4'-P energy: -108.462 tors. eta vs tors. theta energy: -190.031 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: 3, replica: 8 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -2403.925721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.925721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.925721 (E_RNA) where: Base-Base interactions energy: -1629.035 where: short stacking energy: -685.747 Base-Backbone interact. energy: 0.697 local terms energy: -775.587857 where: bonds (distance) C4'-P energy: -145.161 bonds (distance) P-C4' energy: -152.002 flat angles C4'-P-C4' energy: -172.264 flat angles P-C4'-P energy: -108.297 tors. eta vs tors. theta energy: -197.863 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: 107 Temperature: 1.050000 Total energy: -2254.348694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.348694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.348694 (E_RNA) where: Base-Base interactions energy: -1518.052 where: short stacking energy: -645.358 Base-Backbone interact. energy: -0.678 local terms energy: -735.618175 where: bonds (distance) C4'-P energy: -158.903 bonds (distance) P-C4' energy: -136.286 flat angles C4'-P-C4' energy: -154.680 flat angles P-C4'-P energy: -95.744 tors. eta vs tors. theta energy: -190.004 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: 10 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -1990.079266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.079266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.079266 (E_RNA) where: Base-Base interactions energy: -1289.148 where: short stacking energy: -564.742 Base-Backbone interact. energy: 3.255 local terms energy: -704.186886 where: bonds (distance) C4'-P energy: -149.108 bonds (distance) P-C4' energy: -140.585 flat angles C4'-P-C4' energy: -168.507 flat angles P-C4'-P energy: -95.467 tors. eta vs tors. theta energy: -150.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1663.399659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.399659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.399659 (E_RNA) where: Base-Base interactions energy: -1029.613 where: short stacking energy: -474.685 Base-Backbone interact. energy: -0.801 local terms energy: -632.986531 where: bonds (distance) C4'-P energy: -130.799 bonds (distance) P-C4' energy: -150.289 flat angles C4'-P-C4' energy: -159.490 flat angles P-C4'-P energy: -91.039 tors. eta vs tors. theta energy: -101.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1526.716296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.716296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.716296 (E_RNA) where: Base-Base interactions energy: -949.402 where: short stacking energy: -438.157 Base-Backbone interact. energy: -0.571 local terms energy: -576.743484 where: bonds (distance) C4'-P energy: -122.206 bonds (distance) P-C4' energy: -136.089 flat angles C4'-P-C4' energy: -150.443 flat angles P-C4'-P energy: -84.251 tors. eta vs tors. theta energy: -83.754 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: 6 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1367.274758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.274758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.274758 (E_RNA) where: Base-Base interactions energy: -827.816 where: short stacking energy: -398.747 Base-Backbone interact. energy: -1.265 local terms energy: -538.193722 where: bonds (distance) C4'-P energy: -129.979 bonds (distance) P-C4' energy: -115.131 flat angles C4'-P-C4' energy: -140.752 flat angles P-C4'-P energy: -91.475 tors. eta vs tors. theta energy: -60.857 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: 9, replica: 7 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -1058.588378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.588378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.588378 (E_RNA) where: Base-Base interactions energy: -606.238 where: short stacking energy: -324.842 Base-Backbone interact. energy: 12.042 local terms energy: -464.392472 where: bonds (distance) C4'-P energy: -131.571 bonds (distance) P-C4' energy: -128.170 flat angles C4'-P-C4' energy: -118.878 flat angles P-C4'-P energy: -62.518 tors. eta vs tors. theta energy: -23.256 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: 9 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -634.357254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.357254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.357254 (E_RNA) where: Base-Base interactions energy: -243.391 where: short stacking energy: -198.351 Base-Backbone interact. energy: 2.432 local terms energy: -393.398399 where: bonds (distance) C4'-P energy: -107.833 bonds (distance) P-C4' energy: -142.996 flat angles C4'-P-C4' energy: -102.562 flat angles P-C4'-P energy: -53.701 tors. eta vs tors. theta energy: 13.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -2650.424731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.424731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.424731 (E_RNA) where: Base-Base interactions energy: -1801.525 where: short stacking energy: -774.477 Base-Backbone interact. energy: -3.176 local terms energy: -845.724367 where: bonds (distance) C4'-P energy: -160.755 bonds (distance) P-C4' energy: -159.504 flat angles C4'-P-C4' energy: -182.632 flat angles P-C4'-P energy: -116.755 tors. eta vs tors. theta energy: -226.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -2449.558234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.558234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.558234 (E_RNA) where: Base-Base interactions energy: -1650.100 where: short stacking energy: -708.670 Base-Backbone interact. energy: -5.573 local terms energy: -793.885242 where: bonds (distance) C4'-P energy: -147.939 bonds (distance) P-C4' energy: -161.175 flat angles C4'-P-C4' energy: -173.871 flat angles P-C4'-P energy: -119.239 tors. eta vs tors. theta energy: -191.662 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: 3, replica: 8 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -2396.308857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.308857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.308857 (E_RNA) where: Base-Base interactions energy: -1637.185 where: short stacking energy: -694.684 Base-Backbone interact. energy: 3.095 local terms energy: -762.219759 where: bonds (distance) C4'-P energy: -133.239 bonds (distance) P-C4' energy: -146.245 flat angles C4'-P-C4' energy: -172.269 flat angles P-C4'-P energy: -120.823 tors. eta vs tors. theta energy: -189.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -2287.010538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.010538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.010538 (E_RNA) where: Base-Base interactions energy: -1547.898 where: short stacking energy: -690.942 Base-Backbone interact. energy: -0.114 local terms energy: -738.998785 where: bonds (distance) C4'-P energy: -129.915 bonds (distance) P-C4' energy: -143.322 flat angles C4'-P-C4' energy: -170.712 flat angles P-C4'-P energy: -98.385 tors. eta vs tors. theta energy: -196.665 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: 10 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -2040.337658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.337658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.337658 (E_RNA) where: Base-Base interactions energy: -1331.339 where: short stacking energy: -565.166 Base-Backbone interact. energy: -0.477 local terms energy: -708.521806 where: bonds (distance) C4'-P energy: -154.509 bonds (distance) P-C4' energy: -161.884 flat angles C4'-P-C4' energy: -163.835 flat angles P-C4'-P energy: -84.817 tors. eta vs tors. theta energy: -143.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1701.356122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.356122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.356122 (E_RNA) where: Base-Base interactions energy: -1071.529 where: short stacking energy: -495.082 Base-Backbone interact. energy: 0.038 local terms energy: -629.865204 where: bonds (distance) C4'-P energy: -137.351 bonds (distance) P-C4' energy: -139.158 flat angles C4'-P-C4' energy: -148.679 flat angles P-C4'-P energy: -97.087 tors. eta vs tors. theta energy: -107.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1512.029656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.029656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.029656 (E_RNA) where: Base-Base interactions energy: -915.454 where: short stacking energy: -445.681 Base-Backbone interact. energy: 1.742 local terms energy: -598.317157 where: bonds (distance) C4'-P energy: -140.847 bonds (distance) P-C4' energy: -155.599 flat angles C4'-P-C4' energy: -149.203 flat angles P-C4'-P energy: -74.981 tors. eta vs tors. theta energy: -77.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1339.167046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.167046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.167046 (E_RNA) where: Base-Base interactions energy: -799.610 where: short stacking energy: -383.848 Base-Backbone interact. energy: -4.483 local terms energy: -535.073861 where: bonds (distance) C4'-P energy: -114.967 bonds (distance) P-C4' energy: -120.566 flat angles C4'-P-C4' energy: -150.190 flat angles P-C4'-P energy: -92.850 tors. eta vs tors. theta energy: -56.502 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: 7 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -1032.696178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.696178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.696178 (E_RNA) where: Base-Base interactions energy: -589.334 where: short stacking energy: -295.940 Base-Backbone interact. energy: 0.848 local terms energy: -444.209947 where: bonds (distance) C4'-P energy: -119.700 bonds (distance) P-C4' energy: -123.074 flat angles C4'-P-C4' energy: -123.456 flat angles P-C4'-P energy: -57.939 tors. eta vs tors. theta energy: -20.041 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: 10, replica: 9 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -679.854978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.854978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.854978 (E_RNA) where: Base-Base interactions energy: -231.743 where: short stacking energy: -183.071 Base-Backbone interact. energy: -0.998 local terms energy: -447.113803 where: bonds (distance) C4'-P energy: -137.001 bonds (distance) P-C4' energy: -138.267 flat angles C4'-P-C4' energy: -130.208 flat angles P-C4'-P energy: -56.560 tors. eta vs tors. theta energy: 14.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -2594.958143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.958143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.958143 (E_RNA) where: Base-Base interactions energy: -1764.602 where: short stacking energy: -774.938 Base-Backbone interact. energy: -1.041 local terms energy: -829.315278 where: bonds (distance) C4'-P energy: -142.429 bonds (distance) P-C4' energy: -180.837 flat angles C4'-P-C4' energy: -174.698 flat angles P-C4'-P energy: -126.513 tors. eta vs tors. theta energy: -204.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2482.099822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.099822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.099822 (E_RNA) where: Base-Base interactions energy: -1683.236 where: short stacking energy: -707.726 Base-Backbone interact. energy: -8.102 local terms energy: -790.761816 where: bonds (distance) C4'-P energy: -146.557 bonds (distance) P-C4' energy: -161.740 flat angles C4'-P-C4' energy: -178.494 flat angles P-C4'-P energy: -116.086 tors. eta vs tors. theta energy: -187.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -2392.879414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.879414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.879414 (E_RNA) where: Base-Base interactions energy: -1605.526 where: short stacking energy: -675.658 Base-Backbone interact. energy: -4.172 local terms energy: -783.181748 where: bonds (distance) C4'-P energy: -147.761 bonds (distance) P-C4' energy: -164.390 flat angles C4'-P-C4' energy: -165.865 flat angles P-C4'-P energy: -114.805 tors. eta vs tors. theta energy: -190.361 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: 4, replica: 2 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -2278.538452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.538452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.538452 (E_RNA) where: Base-Base interactions energy: -1560.125 where: short stacking energy: -691.015 Base-Backbone interact. energy: -0.152 local terms energy: -718.261081 where: bonds (distance) C4'-P energy: -143.598 bonds (distance) P-C4' energy: -143.965 flat angles C4'-P-C4' energy: -167.005 flat angles P-C4'-P energy: -91.902 tors. eta vs tors. theta energy: -171.790 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: 5, replica: 10 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -2032.708045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.708045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.708045 (E_RNA) where: Base-Base interactions energy: -1310.891 where: short stacking energy: -582.540 Base-Backbone interact. energy: -4.662 local terms energy: -717.154994 where: bonds (distance) C4'-P energy: -156.420 bonds (distance) P-C4' energy: -154.214 flat angles C4'-P-C4' energy: -157.950 flat angles P-C4'-P energy: -98.036 tors. eta vs tors. theta energy: -150.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1724.783426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.783426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.783426 (E_RNA) where: Base-Base interactions energy: -1109.827 where: short stacking energy: -498.179 Base-Backbone interact. energy: 3.140 local terms energy: -618.096162 where: bonds (distance) C4'-P energy: -139.501 bonds (distance) P-C4' energy: -140.105 flat angles C4'-P-C4' energy: -132.776 flat angles P-C4'-P energy: -96.318 tors. eta vs tors. theta energy: -109.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1594.458677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.458677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.458677 (E_RNA) where: Base-Base interactions energy: -1028.158 where: short stacking energy: -468.071 Base-Backbone interact. energy: -3.282 local terms energy: -563.018992 where: bonds (distance) C4'-P energy: -125.726 bonds (distance) P-C4' energy: -151.415 flat angles C4'-P-C4' energy: -140.089 flat angles P-C4'-P energy: -77.031 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: 8, replica: 6 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1337.789613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.789613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.789613 (E_RNA) where: Base-Base interactions energy: -817.807 where: short stacking energy: -388.503 Base-Backbone interact. energy: 10.270 local terms energy: -530.252684 where: bonds (distance) C4'-P energy: -127.297 bonds (distance) P-C4' energy: -134.527 flat angles C4'-P-C4' energy: -120.332 flat angles P-C4'-P energy: -82.587 tors. eta vs tors. theta energy: -65.510 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: 9, replica: 7 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -1126.831269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.831269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.831269 (E_RNA) where: Base-Base interactions energy: -634.794 where: short stacking energy: -298.590 Base-Backbone interact. energy: -1.943 local terms energy: -490.094184 where: bonds (distance) C4'-P energy: -125.620 bonds (distance) P-C4' energy: -140.151 flat angles C4'-P-C4' energy: -132.511 flat angles P-C4'-P energy: -67.414 tors. eta vs tors. theta energy: -24.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -626.261667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.261667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.261667 (E_RNA) where: Base-Base interactions energy: -216.031 where: short stacking energy: -149.264 Base-Backbone interact. energy: -1.281 local terms energy: -408.949423 where: bonds (distance) C4'-P energy: -120.169 bonds (distance) P-C4' energy: -146.167 flat angles C4'-P-C4' energy: -104.738 flat angles P-C4'-P energy: -68.359 tors. eta vs tors. theta energy: 30.483 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: 1, replica: 1 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -2629.288476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.288476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.288476 (E_RNA) where: Base-Base interactions energy: -1802.112 where: short stacking energy: -780.058 Base-Backbone interact. energy: 3.711 local terms energy: -830.887723 where: bonds (distance) C4'-P energy: -153.018 bonds (distance) P-C4' energy: -151.400 flat angles C4'-P-C4' energy: -194.810 flat angles P-C4'-P energy: -109.078 tors. eta vs tors. theta energy: -222.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2502.904549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.904549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.904549 (E_RNA) where: Base-Base interactions energy: -1712.305 where: short stacking energy: -716.547 Base-Backbone interact. energy: -4.164 local terms energy: -786.436124 where: bonds (distance) C4'-P energy: -127.223 bonds (distance) P-C4' energy: -167.108 flat angles C4'-P-C4' energy: -173.418 flat angles P-C4'-P energy: -115.516 tors. eta vs tors. theta energy: -203.171 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: 4 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -2367.938843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.938843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.938843 (E_RNA) where: Base-Base interactions energy: -1586.360 where: short stacking energy: -682.761 Base-Backbone interact. energy: -2.087 local terms energy: -779.492677 where: bonds (distance) C4'-P energy: -160.107 bonds (distance) P-C4' energy: -157.461 flat angles C4'-P-C4' energy: -169.230 flat angles P-C4'-P energy: -112.007 tors. eta vs tors. theta energy: -180.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -2263.423998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.423998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.423998 (E_RNA) where: Base-Base interactions energy: -1492.606 where: short stacking energy: -655.942 Base-Backbone interact. energy: -3.657 local terms energy: -767.161336 where: bonds (distance) C4'-P energy: -147.224 bonds (distance) P-C4' energy: -150.513 flat angles C4'-P-C4' energy: -180.956 flat angles P-C4'-P energy: -109.600 tors. eta vs tors. theta energy: -178.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -2033.526332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.526332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.526332 (E_RNA) where: Base-Base interactions energy: -1353.206 where: short stacking energy: -597.405 Base-Backbone interact. energy: -2.480 local terms energy: -677.840361 where: bonds (distance) C4'-P energy: -134.132 bonds (distance) P-C4' energy: -157.664 flat angles C4'-P-C4' energy: -151.264 flat angles P-C4'-P energy: -95.389 tors. eta vs tors. theta energy: -139.391 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: 3 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1735.864322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.864322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.864322 (E_RNA) where: Base-Base interactions energy: -1141.967 where: short stacking energy: -520.790 Base-Backbone interact. energy: -2.161 local terms energy: -591.736325 where: bonds (distance) C4'-P energy: -132.462 bonds (distance) P-C4' energy: -144.889 flat angles C4'-P-C4' energy: -148.940 flat angles P-C4'-P energy: -70.034 tors. eta vs tors. theta energy: -95.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1514.656008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.656008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.656008 (E_RNA) where: Base-Base interactions energy: -921.117 where: short stacking energy: -436.851 Base-Backbone interact. energy: 5.609 local terms energy: -599.148930 where: bonds (distance) C4'-P energy: -148.992 bonds (distance) P-C4' energy: -140.436 flat angles C4'-P-C4' energy: -142.560 flat angles P-C4'-P energy: -83.024 tors. eta vs tors. theta energy: -84.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1320.156300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.156300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.156300 (E_RNA) where: Base-Base interactions energy: -785.293 where: short stacking energy: -380.837 Base-Backbone interact. energy: -0.023 local terms energy: -534.840639 where: bonds (distance) C4'-P energy: -130.271 bonds (distance) P-C4' energy: -120.090 flat angles C4'-P-C4' energy: -142.803 flat angles P-C4'-P energy: -63.008 tors. eta vs tors. theta energy: -78.668 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: 7 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -1108.445077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.445077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.445077 (E_RNA) where: Base-Base interactions energy: -647.975 where: short stacking energy: -349.219 Base-Backbone interact. energy: -0.749 local terms energy: -459.721083 where: bonds (distance) C4'-P energy: -127.173 bonds (distance) P-C4' energy: -132.919 flat angles C4'-P-C4' energy: -105.145 flat angles P-C4'-P energy: -72.282 tors. eta vs tors. theta energy: -22.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -641.151471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.151471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.151471 (E_RNA) where: Base-Base interactions energy: -274.639 where: short stacking energy: -172.880 Base-Backbone interact. energy: 3.338 local terms energy: -369.850680 where: bonds (distance) C4'-P energy: -112.190 bonds (distance) P-C4' energy: -125.187 flat angles C4'-P-C4' energy: -83.722 flat angles P-C4'-P energy: -64.056 tors. eta vs tors. theta energy: 15.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -2644.397733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.397733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.397733 (E_RNA) where: Base-Base interactions energy: -1826.223 where: short stacking energy: -766.161 Base-Backbone interact. energy: 1.215 local terms energy: -819.390241 where: bonds (distance) C4'-P energy: -164.177 bonds (distance) P-C4' energy: -158.000 flat angles C4'-P-C4' energy: -177.146 flat angles P-C4'-P energy: -119.863 tors. eta vs tors. theta energy: -200.204 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: 2, replica: 8 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2478.343054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.343054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.343054 (E_RNA) where: Base-Base interactions energy: -1674.828 where: short stacking energy: -721.189 Base-Backbone interact. energy: -3.196 local terms energy: -800.318689 where: bonds (distance) C4'-P energy: -149.957 bonds (distance) P-C4' energy: -168.877 flat angles C4'-P-C4' energy: -185.263 flat angles P-C4'-P energy: -108.207 tors. eta vs tors. theta energy: -188.015 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: 4 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -2314.154099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.154099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.154099 (E_RNA) where: Base-Base interactions energy: -1543.287 where: short stacking energy: -669.141 Base-Backbone interact. energy: -0.713 local terms energy: -770.154324 where: bonds (distance) C4'-P energy: -149.421 bonds (distance) P-C4' energy: -149.048 flat angles C4'-P-C4' energy: -180.117 flat angles P-C4'-P energy: -116.099 tors. eta vs tors. theta energy: -175.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -2291.769175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.769175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.769175 (E_RNA) where: Base-Base interactions energy: -1512.901 where: short stacking energy: -694.275 Base-Backbone interact. energy: 2.697 local terms energy: -781.565276 where: bonds (distance) C4'-P energy: -143.614 bonds (distance) P-C4' energy: -134.066 flat angles C4'-P-C4' energy: -181.999 flat angles P-C4'-P energy: -125.450 tors. eta vs tors. theta energy: -196.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -1968.189072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.189072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.189072 (E_RNA) where: Base-Base interactions energy: -1295.543 where: short stacking energy: -551.749 Base-Backbone interact. energy: -2.225 local terms energy: -670.421477 where: bonds (distance) C4'-P energy: -147.104 bonds (distance) P-C4' energy: -149.479 flat angles C4'-P-C4' energy: -141.921 flat angles P-C4'-P energy: -85.896 tors. eta vs tors. theta energy: -146.021 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: 6, replica: 3 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1743.538785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.538785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.538785 (E_RNA) where: Base-Base interactions energy: -1078.875 where: short stacking energy: -496.611 Base-Backbone interact. energy: -2.621 local terms energy: -662.042234 where: bonds (distance) C4'-P energy: -133.870 bonds (distance) P-C4' energy: -150.645 flat angles C4'-P-C4' energy: -166.098 flat angles P-C4'-P energy: -94.683 tors. eta vs tors. theta energy: -116.745 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: 7, replica: 5 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1478.724955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.724955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.724955 (E_RNA) where: Base-Base interactions energy: -876.701 where: short stacking energy: -428.582 Base-Backbone interact. energy: 0.501 local terms energy: -602.525675 where: bonds (distance) C4'-P energy: -136.159 bonds (distance) P-C4' energy: -160.846 flat angles C4'-P-C4' energy: -148.716 flat angles P-C4'-P energy: -85.318 tors. eta vs tors. theta energy: -71.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1257.853341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.853341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.853341 (E_RNA) where: Base-Base interactions energy: -778.611 where: short stacking energy: -374.517 Base-Backbone interact. energy: 2.066 local terms energy: -481.308373 where: bonds (distance) C4'-P energy: -110.714 bonds (distance) P-C4' energy: -132.250 flat angles C4'-P-C4' energy: -133.797 flat angles P-C4'-P energy: -65.808 tors. eta vs tors. theta energy: -38.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -1022.730074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.730074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.730074 (E_RNA) where: Base-Base interactions energy: -553.524 where: short stacking energy: -276.954 Base-Backbone interact. energy: 0.857 local terms energy: -470.062773 where: bonds (distance) C4'-P energy: -130.939 bonds (distance) P-C4' energy: -136.309 flat angles C4'-P-C4' energy: -119.228 flat angles P-C4'-P energy: -79.824 tors. eta vs tors. theta energy: -3.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -641.786556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.786556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.786556 (E_RNA) where: Base-Base interactions energy: -266.031 where: short stacking energy: -170.283 Base-Backbone interact. energy: -1.756 local terms energy: -373.999849 where: bonds (distance) C4'-P energy: -115.120 bonds (distance) P-C4' energy: -134.776 flat angles C4'-P-C4' energy: -100.570 flat angles P-C4'-P energy: -51.529 tors. eta vs tors. theta energy: 27.995 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: 1, replica: 1 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -2618.266593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.266593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.266593 (E_RNA) where: Base-Base interactions energy: -1801.899 where: short stacking energy: -742.378 Base-Backbone interact. energy: 0.965 local terms energy: -817.332684 where: bonds (distance) C4'-P energy: -151.781 bonds (distance) P-C4' energy: -165.929 flat angles C4'-P-C4' energy: -178.180 flat angles P-C4'-P energy: -107.790 tors. eta vs tors. theta energy: -213.653 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: 8 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -2422.670991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.670991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.670991 (E_RNA) where: Base-Base interactions energy: -1613.269 where: short stacking energy: -685.271 Base-Backbone interact. energy: -5.462 local terms energy: -803.939968 where: bonds (distance) C4'-P energy: -165.468 bonds (distance) P-C4' energy: -142.679 flat angles C4'-P-C4' energy: -184.840 flat angles P-C4'-P energy: -127.352 tors. eta vs tors. theta energy: -183.601 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: 3, replica: 4 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -2354.801537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.801537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.801537 (E_RNA) where: Base-Base interactions energy: -1579.094 where: short stacking energy: -706.958 Base-Backbone interact. energy: -3.610 local terms energy: -772.097568 where: bonds (distance) C4'-P energy: -158.636 bonds (distance) P-C4' energy: -162.111 flat angles C4'-P-C4' energy: -174.222 flat angles P-C4'-P energy: -105.280 tors. eta vs tors. theta energy: -171.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -2295.739704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.739704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.739704 (E_RNA) where: Base-Base interactions energy: -1551.630 where: short stacking energy: -655.881 Base-Backbone interact. energy: -3.982 local terms energy: -740.127783 where: bonds (distance) C4'-P energy: -140.856 bonds (distance) P-C4' energy: -154.055 flat angles C4'-P-C4' energy: -172.623 flat angles P-C4'-P energy: -90.148 tors. eta vs tors. theta energy: -182.445 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: 5, replica: 10 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -1938.217258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.217258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.217258 (E_RNA) where: Base-Base interactions energy: -1267.181 where: short stacking energy: -572.371 Base-Backbone interact. energy: -3.898 local terms energy: -667.138299 where: bonds (distance) C4'-P energy: -127.804 bonds (distance) P-C4' energy: -127.606 flat angles C4'-P-C4' energy: -172.504 flat angles P-C4'-P energy: -84.925 tors. eta vs tors. theta energy: -154.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1746.538102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.538102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.538102 (E_RNA) where: Base-Base interactions energy: -1110.526 where: short stacking energy: -514.746 Base-Backbone interact. energy: -2.413 local terms energy: -633.599114 where: bonds (distance) C4'-P energy: -141.336 bonds (distance) P-C4' energy: -153.830 flat angles C4'-P-C4' energy: -148.407 flat angles P-C4'-P energy: -95.351 tors. eta vs tors. theta energy: -94.675 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: 7, replica: 5 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1481.034520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.034520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.034520 (E_RNA) where: Base-Base interactions energy: -917.526 where: short stacking energy: -423.031 Base-Backbone interact. energy: -1.578 local terms energy: -561.930429 where: bonds (distance) C4'-P energy: -130.071 bonds (distance) P-C4' energy: -134.971 flat angles C4'-P-C4' energy: -148.599 flat angles P-C4'-P energy: -72.458 tors. eta vs tors. theta energy: -75.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1323.934726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.934726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.934726 (E_RNA) where: Base-Base interactions energy: -780.762 where: short stacking energy: -365.939 Base-Backbone interact. energy: 1.566 local terms energy: -544.739212 where: bonds (distance) C4'-P energy: -123.355 bonds (distance) P-C4' energy: -153.133 flat angles C4'-P-C4' energy: -127.348 flat angles P-C4'-P energy: -75.976 tors. eta vs tors. theta energy: -64.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -1041.371016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.371016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.371016 (E_RNA) where: Base-Base interactions energy: -549.442 where: short stacking energy: -282.601 Base-Backbone interact. energy: 4.676 local terms energy: -496.604722 where: bonds (distance) C4'-P energy: -122.948 bonds (distance) P-C4' energy: -150.651 flat angles C4'-P-C4' energy: -127.691 flat angles P-C4'-P energy: -65.612 tors. eta vs tors. theta energy: -29.703 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: 10, replica: 9 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -719.513322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.513322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.513322 (E_RNA) where: Base-Base interactions energy: -316.491 where: short stacking energy: -218.352 Base-Backbone interact. energy: -0.890 local terms energy: -402.132556 where: bonds (distance) C4'-P energy: -128.022 bonds (distance) P-C4' energy: -129.297 flat angles C4'-P-C4' energy: -96.564 flat angles P-C4'-P energy: -61.328 tors. eta vs tors. theta energy: 13.079 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: 1 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -2661.005001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.005001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.005001 (E_RNA) where: Base-Base interactions energy: -1838.983 where: short stacking energy: -764.737 Base-Backbone interact. energy: -2.159 local terms energy: -819.862810 where: bonds (distance) C4'-P energy: -156.150 bonds (distance) P-C4' energy: -166.059 flat angles C4'-P-C4' energy: -177.808 flat angles P-C4'-P energy: -102.855 tors. eta vs tors. theta energy: -216.991 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: 2, replica: 8 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -2460.910554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.910554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.910554 (E_RNA) where: Base-Base interactions energy: -1660.066 where: short stacking energy: -704.065 Base-Backbone interact. energy: -2.383 local terms energy: -798.461365 where: bonds (distance) C4'-P energy: -163.458 bonds (distance) P-C4' energy: -156.127 flat angles C4'-P-C4' energy: -171.615 flat angles P-C4'-P energy: -114.470 tors. eta vs tors. theta energy: -192.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -2361.188760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.188760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.188760 (E_RNA) where: Base-Base interactions energy: -1585.608 where: short stacking energy: -671.234 Base-Backbone interact. energy: -3.467 local terms energy: -772.113933 where: bonds (distance) C4'-P energy: -156.436 bonds (distance) P-C4' energy: -151.930 flat angles C4'-P-C4' energy: -175.637 flat angles P-C4'-P energy: -112.687 tors. eta vs tors. theta energy: -175.424 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: 4, replica: 2 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -2297.353976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.353976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.353976 (E_RNA) where: Base-Base interactions energy: -1575.582 where: short stacking energy: -670.104 Base-Backbone interact. energy: -4.932 local terms energy: -716.839952 where: bonds (distance) C4'-P energy: -140.309 bonds (distance) P-C4' energy: -143.936 flat angles C4'-P-C4' energy: -155.003 flat angles P-C4'-P energy: -86.973 tors. eta vs tors. theta energy: -190.619 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: 10 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -2006.644023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.644023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.644023 (E_RNA) where: Base-Base interactions energy: -1306.663 where: short stacking energy: -580.219 Base-Backbone interact. energy: -2.340 local terms energy: -697.640700 where: bonds (distance) C4'-P energy: -130.085 bonds (distance) P-C4' energy: -146.536 flat angles C4'-P-C4' energy: -172.527 flat angles P-C4'-P energy: -87.495 tors. eta vs tors. theta energy: -160.998 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: 3 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1741.159224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.159224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.159224 (E_RNA) where: Base-Base interactions energy: -1116.285 where: short stacking energy: -539.223 Base-Backbone interact. energy: 4.189 local terms energy: -629.062790 where: bonds (distance) C4'-P energy: -134.561 bonds (distance) P-C4' energy: -147.325 flat angles C4'-P-C4' energy: -140.509 flat angles P-C4'-P energy: -87.775 tors. eta vs tors. theta energy: -118.892 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: 5 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1543.976589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.976589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.976589 (E_RNA) where: Base-Base interactions energy: -965.934 where: short stacking energy: -437.157 Base-Backbone interact. energy: -5.519 local terms energy: -572.523814 where: bonds (distance) C4'-P energy: -148.947 bonds (distance) P-C4' energy: -136.371 flat angles C4'-P-C4' energy: -115.231 flat angles P-C4'-P energy: -80.607 tors. eta vs tors. theta energy: -91.368 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: 8, replica: 6 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1308.615665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.615665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.615665 (E_RNA) where: Base-Base interactions energy: -805.761 where: short stacking energy: -399.219 Base-Backbone interact. energy: -2.514 local terms energy: -500.340964 where: bonds (distance) C4'-P energy: -111.516 bonds (distance) P-C4' energy: -136.774 flat angles C4'-P-C4' energy: -129.421 flat angles P-C4'-P energy: -77.804 tors. eta vs tors. theta energy: -44.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -1005.219458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.219458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.219458 (E_RNA) where: Base-Base interactions energy: -536.747 where: short stacking energy: -278.927 Base-Backbone interact. energy: 1.891 local terms energy: -470.363190 where: bonds (distance) C4'-P energy: -135.695 bonds (distance) P-C4' energy: -149.897 flat angles C4'-P-C4' energy: -118.839 flat angles P-C4'-P energy: -57.428 tors. eta vs tors. theta energy: -8.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -624.374117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.374117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.374117 (E_RNA) where: Base-Base interactions energy: -218.363 where: short stacking energy: -173.350 Base-Backbone interact. energy: -2.741 local terms energy: -403.269696 where: bonds (distance) C4'-P energy: -126.549 bonds (distance) P-C4' energy: -142.896 flat angles C4'-P-C4' energy: -101.883 flat angles P-C4'-P energy: -53.753 tors. eta vs tors. theta energy: 21.812 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: 1, replica: 1 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -2656.098437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.098437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.098437 (E_RNA) where: Base-Base interactions energy: -1804.149 where: short stacking energy: -795.904 Base-Backbone interact. energy: -0.511 local terms energy: -851.438299 where: bonds (distance) C4'-P energy: -156.669 bonds (distance) P-C4' energy: -163.023 flat angles C4'-P-C4' energy: -187.733 flat angles P-C4'-P energy: -120.681 tors. eta vs tors. theta energy: -223.332 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: 8 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -2452.581112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.581112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.581112 (E_RNA) where: Base-Base interactions energy: -1653.480 where: short stacking energy: -734.917 Base-Backbone interact. energy: -3.220 local terms energy: -795.881701 where: bonds (distance) C4'-P energy: -155.531 bonds (distance) P-C4' energy: -157.628 flat angles C4'-P-C4' energy: -170.275 flat angles P-C4'-P energy: -115.559 tors. eta vs tors. theta energy: -196.888 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: 3, replica: 4 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -2299.364419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.364419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.364419 (E_RNA) where: Base-Base interactions energy: -1540.310 where: short stacking energy: -640.324 Base-Backbone interact. energy: -0.287 local terms energy: -758.767666 where: bonds (distance) C4'-P energy: -151.162 bonds (distance) P-C4' energy: -159.989 flat angles C4'-P-C4' energy: -168.736 flat angles P-C4'-P energy: -109.343 tors. eta vs tors. theta energy: -169.538 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: 4, replica: 2 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -2359.133003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.133003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.133003 (E_RNA) where: Base-Base interactions energy: -1583.537 where: short stacking energy: -692.939 Base-Backbone interact. energy: -5.093 local terms energy: -770.503330 where: bonds (distance) C4'-P energy: -132.961 bonds (distance) P-C4' energy: -157.860 flat angles C4'-P-C4' energy: -169.528 flat angles P-C4'-P energy: -112.235 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: 10 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -1969.163108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.163108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.163108 (E_RNA) where: Base-Base interactions energy: -1287.535 where: short stacking energy: -556.054 Base-Backbone interact. energy: -0.239 local terms energy: -681.389467 where: bonds (distance) C4'-P energy: -137.011 bonds (distance) P-C4' energy: -155.858 flat angles C4'-P-C4' energy: -162.548 flat angles P-C4'-P energy: -84.112 tors. eta vs tors. theta energy: -141.861 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: 3 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1710.450647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.450647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.450647 (E_RNA) where: Base-Base interactions energy: -1090.925 where: short stacking energy: -534.846 Base-Backbone interact. energy: -3.440 local terms energy: -616.086111 where: bonds (distance) C4'-P energy: -131.153 bonds (distance) P-C4' energy: -125.266 flat angles C4'-P-C4' energy: -153.599 flat angles P-C4'-P energy: -84.914 tors. eta vs tors. theta energy: -121.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1583.911610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.911610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.911610 (E_RNA) where: Base-Base interactions energy: -998.421 where: short stacking energy: -461.170 Base-Backbone interact. energy: -2.824 local terms energy: -582.666842 where: bonds (distance) C4'-P energy: -118.267 bonds (distance) P-C4' energy: -143.689 flat angles C4'-P-C4' energy: -147.493 flat angles P-C4'-P energy: -81.971 tors. eta vs tors. theta energy: -91.247 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: 8, replica: 6 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1277.218070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.218070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.218070 (E_RNA) where: Base-Base interactions energy: -736.900 where: short stacking energy: -323.470 Base-Backbone interact. energy: 8.179 local terms energy: -548.497839 where: bonds (distance) C4'-P energy: -132.884 bonds (distance) P-C4' energy: -146.661 flat angles C4'-P-C4' energy: -151.150 flat angles P-C4'-P energy: -79.841 tors. eta vs tors. theta energy: -37.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -1051.433031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.433031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.433031 (E_RNA) where: Base-Base interactions energy: -589.447 where: short stacking energy: -294.595 Base-Backbone interact. energy: 4.083 local terms energy: -466.069360 where: bonds (distance) C4'-P energy: -145.750 bonds (distance) P-C4' energy: -129.110 flat angles C4'-P-C4' energy: -113.312 flat angles P-C4'-P energy: -67.730 tors. eta vs tors. theta energy: -10.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -612.040631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.040631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.040631 (E_RNA) where: Base-Base interactions energy: -240.711 where: short stacking energy: -149.242 Base-Backbone interact. energy: 0.268 local terms energy: -371.596765 where: bonds (distance) C4'-P energy: -128.134 bonds (distance) P-C4' energy: -137.272 flat angles C4'-P-C4' energy: -101.949 flat angles P-C4'-P energy: -43.547 tors. eta vs tors. theta energy: 39.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -2700.938985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.938985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.938985 (E_RNA) where: Base-Base interactions energy: -1837.524 where: short stacking energy: -780.584 Base-Backbone interact. energy: -4.080 local terms energy: -859.335004 where: bonds (distance) C4'-P energy: -164.091 bonds (distance) P-C4' energy: -161.578 flat angles C4'-P-C4' energy: -182.688 flat angles P-C4'-P energy: -119.177 tors. eta vs tors. theta energy: -231.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -2466.755624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.755624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.755624 (E_RNA) where: Base-Base interactions energy: -1654.028 where: short stacking energy: -712.535 Base-Backbone interact. energy: -5.891 local terms energy: -806.836365 where: bonds (distance) C4'-P energy: -157.908 bonds (distance) P-C4' energy: -162.738 flat angles C4'-P-C4' energy: -167.892 flat angles P-C4'-P energy: -117.860 tors. eta vs tors. theta energy: -200.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -2312.589819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.589819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.589819 (E_RNA) where: Base-Base interactions energy: -1547.657 where: short stacking energy: -667.710 Base-Backbone interact. energy: -1.896 local terms energy: -763.036531 where: bonds (distance) C4'-P energy: -146.312 bonds (distance) P-C4' energy: -147.353 flat angles C4'-P-C4' energy: -174.913 flat angles P-C4'-P energy: -121.863 tors. eta vs tors. theta energy: -172.595 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: 4, replica: 2 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -2309.505217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.505217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.505217 (E_RNA) where: Base-Base interactions energy: -1550.562 where: short stacking energy: -662.506 Base-Backbone interact. energy: -2.069 local terms energy: -756.874436 where: bonds (distance) C4'-P energy: -134.775 bonds (distance) P-C4' energy: -145.818 flat angles C4'-P-C4' energy: -164.404 flat angles P-C4'-P energy: -113.422 tors. eta vs tors. theta energy: -198.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -2002.939842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.939842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.939842 (E_RNA) where: Base-Base interactions energy: -1295.841 where: short stacking energy: -545.227 Base-Backbone interact. energy: -2.692 local terms energy: -704.407575 where: bonds (distance) C4'-P energy: -142.941 bonds (distance) P-C4' energy: -161.831 flat angles C4'-P-C4' energy: -167.517 flat angles P-C4'-P energy: -89.177 tors. eta vs tors. theta energy: -142.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1719.550343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.550343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.550343 (E_RNA) where: Base-Base interactions energy: -1096.799 where: short stacking energy: -514.500 Base-Backbone interact. energy: -1.584 local terms energy: -621.166992 where: bonds (distance) C4'-P energy: -126.078 bonds (distance) P-C4' energy: -131.684 flat angles C4'-P-C4' energy: -160.555 flat angles P-C4'-P energy: -86.808 tors. eta vs tors. theta energy: -116.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1563.210047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.210047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.210047 (E_RNA) where: Base-Base interactions energy: -980.146 where: short stacking energy: -499.523 Base-Backbone interact. energy: -0.765 local terms energy: -582.298694 where: bonds (distance) C4'-P energy: -114.517 bonds (distance) P-C4' energy: -128.799 flat angles C4'-P-C4' energy: -141.696 flat angles P-C4'-P energy: -92.978 tors. eta vs tors. theta energy: -104.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1277.930447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.930447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.930447 (E_RNA) where: Base-Base interactions energy: -735.043 where: short stacking energy: -351.738 Base-Backbone interact. energy: -0.167 local terms energy: -542.720834 where: bonds (distance) C4'-P energy: -132.830 bonds (distance) P-C4' energy: -125.431 flat angles C4'-P-C4' energy: -150.052 flat angles P-C4'-P energy: -79.986 tors. eta vs tors. theta energy: -54.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -1094.687470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.687470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.687470 (E_RNA) where: Base-Base interactions energy: -630.231 where: short stacking energy: -326.356 Base-Backbone interact. energy: 2.414 local terms energy: -466.870726 where: bonds (distance) C4'-P energy: -127.266 bonds (distance) P-C4' energy: -122.187 flat angles C4'-P-C4' energy: -124.386 flat angles P-C4'-P energy: -61.834 tors. eta vs tors. theta energy: -31.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -589.662709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.662709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.662709 (E_RNA) where: Base-Base interactions energy: -217.774 where: short stacking energy: -166.277 Base-Backbone interact. energy: 3.903 local terms energy: -375.791046 where: bonds (distance) C4'-P energy: -96.910 bonds (distance) P-C4' energy: -143.770 flat angles C4'-P-C4' energy: -100.505 flat angles P-C4'-P energy: -73.155 tors. eta vs tors. theta energy: 38.549 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: 1 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -2649.235884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.235884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.235884 (E_RNA) where: Base-Base interactions energy: -1818.498 where: short stacking energy: -775.439 Base-Backbone interact. energy: 2.487 local terms energy: -833.225038 where: bonds (distance) C4'-P energy: -153.915 bonds (distance) P-C4' energy: -157.267 flat angles C4'-P-C4' energy: -175.280 flat angles P-C4'-P energy: -125.061 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: 2, replica: 8 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2531.674117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.674117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.674117 (E_RNA) where: Base-Base interactions energy: -1704.759 where: short stacking energy: -733.908 Base-Backbone interact. energy: -7.226 local terms energy: -819.689645 where: bonds (distance) C4'-P energy: -150.630 bonds (distance) P-C4' energy: -160.727 flat angles C4'-P-C4' energy: -182.491 flat angles P-C4'-P energy: -123.092 tors. eta vs tors. theta energy: -202.750 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: 4 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -2367.301430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.301430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.301430 (E_RNA) where: Base-Base interactions energy: -1600.144 where: short stacking energy: -672.247 Base-Backbone interact. energy: -7.229 local terms energy: -759.928260 where: bonds (distance) C4'-P energy: -140.887 bonds (distance) P-C4' energy: -153.768 flat angles C4'-P-C4' energy: -163.442 flat angles P-C4'-P energy: -123.290 tors. eta vs tors. theta energy: -178.542 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: 4, replica: 2 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -2300.047392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.047392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.047392 (E_RNA) where: Base-Base interactions energy: -1521.649 where: short stacking energy: -660.742 Base-Backbone interact. energy: 11.438 local terms energy: -789.837010 where: bonds (distance) C4'-P energy: -156.286 bonds (distance) P-C4' energy: -142.778 flat angles C4'-P-C4' energy: -180.030 flat angles P-C4'-P energy: -120.262 tors. eta vs tors. theta energy: -190.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1992.262970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.262970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.262970 (E_RNA) where: Base-Base interactions energy: -1291.658 where: short stacking energy: -566.742 Base-Backbone interact. energy: -3.304 local terms energy: -697.300863 where: bonds (distance) C4'-P energy: -134.416 bonds (distance) P-C4' energy: -154.617 flat angles C4'-P-C4' energy: -166.733 flat angles P-C4'-P energy: -84.255 tors. eta vs tors. theta energy: -157.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1679.882269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.882269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.882269 (E_RNA) where: Base-Base interactions energy: -1059.297 where: short stacking energy: -478.025 Base-Backbone interact. energy: -0.830 local terms energy: -619.755117 where: bonds (distance) C4'-P energy: -142.545 bonds (distance) P-C4' energy: -158.569 flat angles C4'-P-C4' energy: -131.255 flat angles P-C4'-P energy: -88.442 tors. eta vs tors. theta energy: -98.943 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: 7, replica: 5 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1635.515731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.515731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.515731 (E_RNA) where: Base-Base interactions energy: -1022.798 where: short stacking energy: -455.764 Base-Backbone interact. energy: -0.822 local terms energy: -611.896021 where: bonds (distance) C4'-P energy: -147.610 bonds (distance) P-C4' energy: -135.100 flat angles C4'-P-C4' energy: -148.477 flat angles P-C4'-P energy: -78.552 tors. eta vs tors. theta energy: -102.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1346.587421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.587421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.587421 (E_RNA) where: Base-Base interactions energy: -836.239 where: short stacking energy: -371.476 Base-Backbone interact. energy: 1.640 local terms energy: -511.988101 where: bonds (distance) C4'-P energy: -119.265 bonds (distance) P-C4' energy: -139.656 flat angles C4'-P-C4' energy: -125.138 flat angles P-C4'-P energy: -76.450 tors. eta vs tors. theta energy: -51.480 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: 7 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -1056.140355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.140355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.140355 (E_RNA) where: Base-Base interactions energy: -608.659 where: short stacking energy: -300.780 Base-Backbone interact. energy: 0.201 local terms energy: -447.682757 where: bonds (distance) C4'-P energy: -123.804 bonds (distance) P-C4' energy: -129.114 flat angles C4'-P-C4' energy: -118.073 flat angles P-C4'-P energy: -68.907 tors. eta vs tors. theta energy: -7.786 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: 10, replica: 9 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -592.192272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.192272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.192272 (E_RNA) where: Base-Base interactions energy: -204.045 where: short stacking energy: -162.941 Base-Backbone interact. energy: 5.611 local terms energy: -393.758698 where: bonds (distance) C4'-P energy: -114.157 bonds (distance) P-C4' energy: -137.150 flat angles C4'-P-C4' energy: -115.716 flat angles P-C4'-P energy: -63.537 tors. eta vs tors. theta energy: 36.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -2639.965132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.965132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.965132 (E_RNA) where: Base-Base interactions energy: -1790.800 where: short stacking energy: -789.343 Base-Backbone interact. energy: -2.524 local terms energy: -846.640977 where: bonds (distance) C4'-P energy: -165.333 bonds (distance) P-C4' energy: -167.302 flat angles C4'-P-C4' energy: -184.523 flat angles P-C4'-P energy: -96.765 tors. eta vs tors. theta energy: -232.718 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: 117 Temperature: 0.950000 Total energy: -2455.760898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.760898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.760898 (E_RNA) where: Base-Base interactions energy: -1636.503 where: short stacking energy: -727.695 Base-Backbone interact. energy: -0.772 local terms energy: -818.486142 where: bonds (distance) C4'-P energy: -156.671 bonds (distance) P-C4' energy: -161.985 flat angles C4'-P-C4' energy: -185.936 flat angles P-C4'-P energy: -112.910 tors. eta vs tors. theta energy: -200.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -2338.804019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.804019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.804019 (E_RNA) where: Base-Base interactions energy: -1583.188 where: short stacking energy: -697.329 Base-Backbone interact. energy: -0.943 local terms energy: -754.673020 where: bonds (distance) C4'-P energy: -144.106 bonds (distance) P-C4' energy: -149.761 flat angles C4'-P-C4' energy: -167.217 flat angles P-C4'-P energy: -92.927 tors. eta vs tors. theta energy: -200.661 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: 2 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -2304.657353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.657353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.657353 (E_RNA) where: Base-Base interactions energy: -1531.428 where: short stacking energy: -680.924 Base-Backbone interact. energy: 1.774 local terms energy: -775.003593 where: bonds (distance) C4'-P energy: -155.797 bonds (distance) P-C4' energy: -165.000 flat angles C4'-P-C4' energy: -157.681 flat angles P-C4'-P energy: -99.110 tors. eta vs tors. theta energy: -197.415 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: 5, replica: 10 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -1942.018618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.018618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.018618 (E_RNA) where: Base-Base interactions energy: -1280.556 where: short stacking energy: -549.332 Base-Backbone interact. energy: -2.148 local terms energy: -659.314480 where: bonds (distance) C4'-P energy: -121.181 bonds (distance) P-C4' energy: -144.406 flat angles C4'-P-C4' energy: -147.059 flat angles P-C4'-P energy: -102.540 tors. eta vs tors. theta energy: -144.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1770.067755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.067755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.067755 (E_RNA) where: Base-Base interactions energy: -1098.454 where: short stacking energy: -505.185 Base-Backbone interact. energy: -2.211 local terms energy: -669.402685 where: bonds (distance) C4'-P energy: -126.619 bonds (distance) P-C4' energy: -139.328 flat angles C4'-P-C4' energy: -160.773 flat angles P-C4'-P energy: -112.579 tors. eta vs tors. theta energy: -130.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1534.456672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.456672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.456672 (E_RNA) where: Base-Base interactions energy: -964.319 where: short stacking energy: -460.168 Base-Backbone interact. energy: -2.284 local terms energy: -567.854216 where: bonds (distance) C4'-P energy: -110.851 bonds (distance) P-C4' energy: -148.352 flat angles C4'-P-C4' energy: -129.861 flat angles P-C4'-P energy: -92.887 tors. eta vs tors. theta energy: -85.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1394.589463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.589463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.589463 (E_RNA) where: Base-Base interactions energy: -853.003 where: short stacking energy: -380.298 Base-Backbone interact. energy: 4.630 local terms energy: -546.215803 where: bonds (distance) C4'-P energy: -150.220 bonds (distance) P-C4' energy: -128.777 flat angles C4'-P-C4' energy: -125.367 flat angles P-C4'-P energy: -76.307 tors. eta vs tors. theta energy: -65.545 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: 7 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -1069.744540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.744540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.744540 (E_RNA) where: Base-Base interactions energy: -619.172 where: short stacking energy: -312.870 Base-Backbone interact. energy: 3.646 local terms energy: -454.219283 where: bonds (distance) C4'-P energy: -107.359 bonds (distance) P-C4' energy: -125.218 flat angles C4'-P-C4' energy: -126.845 flat angles P-C4'-P energy: -73.241 tors. eta vs tors. theta energy: -21.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -604.297429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.297429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.297429 (E_RNA) where: Base-Base interactions energy: -186.793 where: short stacking energy: -146.454 Base-Backbone interact. energy: -4.803 local terms energy: -412.701424 where: bonds (distance) C4'-P energy: -143.754 bonds (distance) P-C4' energy: -132.510 flat angles C4'-P-C4' energy: -113.041 flat angles P-C4'-P energy: -58.005 tors. eta vs tors. theta energy: 34.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -2640.377989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.377989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.377989 (E_RNA) where: Base-Base interactions energy: -1821.771 where: short stacking energy: -779.606 Base-Backbone interact. energy: -2.972 local terms energy: -815.634702 where: bonds (distance) C4'-P energy: -161.590 bonds (distance) P-C4' energy: -162.878 flat angles C4'-P-C4' energy: -181.193 flat angles P-C4'-P energy: -91.120 tors. eta vs tors. theta energy: -218.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -2467.127511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.127511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.127511 (E_RNA) where: Base-Base interactions energy: -1659.747 where: short stacking energy: -699.024 Base-Backbone interact. energy: 3.729 local terms energy: -811.109305 where: bonds (distance) C4'-P energy: -166.162 bonds (distance) P-C4' energy: -149.394 flat angles C4'-P-C4' energy: -181.533 flat angles P-C4'-P energy: -112.535 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: 3, replica: 2 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -2350.644840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.644840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.644840 (E_RNA) where: Base-Base interactions energy: -1525.527 where: short stacking energy: -683.963 Base-Backbone interact. energy: -3.930 local terms energy: -821.188491 where: bonds (distance) C4'-P energy: -146.166 bonds (distance) P-C4' energy: -168.215 flat angles C4'-P-C4' energy: -195.805 flat angles P-C4'-P energy: -104.214 tors. eta vs tors. theta energy: -206.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -2316.186252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.186252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.186252 (E_RNA) where: Base-Base interactions energy: -1542.784 where: short stacking energy: -668.531 Base-Backbone interact. energy: -2.836 local terms energy: -770.566214 where: bonds (distance) C4'-P energy: -170.254 bonds (distance) P-C4' energy: -136.980 flat angles C4'-P-C4' energy: -157.077 flat angles P-C4'-P energy: -124.168 tors. eta vs tors. theta energy: -182.088 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: 10 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -1966.443541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.443541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.443541 (E_RNA) where: Base-Base interactions energy: -1272.724 where: short stacking energy: -555.318 Base-Backbone interact. energy: -4.383 local terms energy: -689.336293 where: bonds (distance) C4'-P energy: -144.870 bonds (distance) P-C4' energy: -159.775 flat angles C4'-P-C4' energy: -169.680 flat angles P-C4'-P energy: -85.584 tors. eta vs tors. theta energy: -129.427 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: 6, replica: 3 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1794.594426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.594426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.594426 (E_RNA) where: Base-Base interactions energy: -1131.691 where: short stacking energy: -492.572 Base-Backbone interact. energy: 1.425 local terms energy: -664.328625 where: bonds (distance) C4'-P energy: -151.593 bonds (distance) P-C4' energy: -120.726 flat angles C4'-P-C4' energy: -159.703 flat angles P-C4'-P energy: -108.697 tors. eta vs tors. theta energy: -123.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1529.240783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.240783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.240783 (E_RNA) where: Base-Base interactions energy: -910.339 where: short stacking energy: -457.824 Base-Backbone interact. energy: 0.225 local terms energy: -619.127556 where: bonds (distance) C4'-P energy: -117.071 bonds (distance) P-C4' energy: -152.520 flat angles C4'-P-C4' energy: -143.052 flat angles P-C4'-P energy: -98.072 tors. eta vs tors. theta energy: -108.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1408.751321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.751321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.751321 (E_RNA) where: Base-Base interactions energy: -861.658 where: short stacking energy: -426.338 Base-Backbone interact. energy: 4.452 local terms energy: -551.545549 where: bonds (distance) C4'-P energy: -117.548 bonds (distance) P-C4' energy: -131.470 flat angles C4'-P-C4' energy: -149.952 flat angles P-C4'-P energy: -75.396 tors. eta vs tors. theta energy: -77.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -1128.615478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.615478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.615478 (E_RNA) where: Base-Base interactions energy: -641.488 where: short stacking energy: -338.976 Base-Backbone interact. energy: -3.063 local terms energy: -484.064267 where: bonds (distance) C4'-P energy: -134.221 bonds (distance) P-C4' energy: -144.784 flat angles C4'-P-C4' energy: -116.166 flat angles P-C4'-P energy: -70.016 tors. eta vs tors. theta energy: -18.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -612.281776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.281776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.281776 (E_RNA) where: Base-Base interactions energy: -220.086 where: short stacking energy: -170.066 Base-Backbone interact. energy: 6.223 local terms energy: -398.418637 where: bonds (distance) C4'-P energy: -129.382 bonds (distance) P-C4' energy: -135.838 flat angles C4'-P-C4' energy: -106.162 flat angles P-C4'-P energy: -56.393 tors. eta vs tors. theta energy: 29.356 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: 1 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -2640.181042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.181042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.181042 (E_RNA) where: Base-Base interactions energy: -1803.613 where: short stacking energy: -762.230 Base-Backbone interact. energy: 0.108 local terms energy: -836.675641 where: bonds (distance) C4'-P energy: -156.247 bonds (distance) P-C4' energy: -162.072 flat angles C4'-P-C4' energy: -180.453 flat angles P-C4'-P energy: -112.270 tors. eta vs tors. theta energy: -225.633 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: 2, replica: 8 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -2379.194821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.194821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.194821 (E_RNA) where: Base-Base interactions energy: -1595.189 where: short stacking energy: -669.343 Base-Backbone interact. energy: -0.125 local terms energy: -783.881231 where: bonds (distance) C4'-P energy: -164.480 bonds (distance) P-C4' energy: -145.071 flat angles C4'-P-C4' energy: -176.807 flat angles P-C4'-P energy: -105.895 tors. eta vs tors. theta energy: -191.628 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: 2 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -2397.544081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.544081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.544081 (E_RNA) where: Base-Base interactions energy: -1590.988 where: short stacking energy: -697.734 Base-Backbone interact. energy: -2.424 local terms energy: -804.132785 where: bonds (distance) C4'-P energy: -151.222 bonds (distance) P-C4' energy: -153.475 flat angles C4'-P-C4' energy: -183.247 flat angles P-C4'-P energy: -116.336 tors. eta vs tors. theta energy: -199.852 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: 4, replica: 4 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -2263.261350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.261350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.261350 (E_RNA) where: Base-Base interactions energy: -1552.166 where: short stacking energy: -672.007 Base-Backbone interact. energy: -3.643 local terms energy: -707.452200 where: bonds (distance) C4'-P energy: -136.064 bonds (distance) P-C4' energy: -129.038 flat angles C4'-P-C4' energy: -164.657 flat angles P-C4'-P energy: -99.581 tors. eta vs tors. theta energy: -178.112 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: 5, replica: 10 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -1966.023825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.023825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.023825 (E_RNA) where: Base-Base interactions energy: -1278.805 where: short stacking energy: -582.593 Base-Backbone interact. energy: -3.626 local terms energy: -683.592993 where: bonds (distance) C4'-P energy: -150.712 bonds (distance) P-C4' energy: -140.771 flat angles C4'-P-C4' energy: -141.737 flat angles P-C4'-P energy: -92.635 tors. eta vs tors. theta energy: -157.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1746.518452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.518452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.518452 (E_RNA) where: Base-Base interactions energy: -1085.315 where: short stacking energy: -477.779 Base-Backbone interact. energy: 0.063 local terms energy: -661.266922 where: bonds (distance) C4'-P energy: -135.848 bonds (distance) P-C4' energy: -154.144 flat angles C4'-P-C4' energy: -144.505 flat angles P-C4'-P energy: -100.252 tors. eta vs tors. theta energy: -126.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1469.712362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.712362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.712362 (E_RNA) where: Base-Base interactions energy: -891.824 where: short stacking energy: -455.210 Base-Backbone interact. energy: 1.251 local terms energy: -579.139896 where: bonds (distance) C4'-P energy: -136.938 bonds (distance) P-C4' energy: -144.441 flat angles C4'-P-C4' energy: -118.761 flat angles P-C4'-P energy: -80.715 tors. eta vs tors. theta energy: -98.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1388.610031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.610031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.610031 (E_RNA) where: Base-Base interactions energy: -829.992 where: short stacking energy: -392.125 Base-Backbone interact. energy: 0.276 local terms energy: -558.893851 where: bonds (distance) C4'-P energy: -139.194 bonds (distance) P-C4' energy: -129.256 flat angles C4'-P-C4' energy: -137.904 flat angles P-C4'-P energy: -78.889 tors. eta vs tors. theta energy: -73.651 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: 9, replica: 7 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -988.935743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.935743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.935743 (E_RNA) where: Base-Base interactions energy: -530.038 where: short stacking energy: -294.443 Base-Backbone interact. energy: 1.515 local terms energy: -460.412542 where: bonds (distance) C4'-P energy: -129.658 bonds (distance) P-C4' energy: -135.831 flat angles C4'-P-C4' energy: -122.409 flat angles P-C4'-P energy: -61.962 tors. eta vs tors. theta energy: -10.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -612.183620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.183620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.183620 (E_RNA) where: Base-Base interactions energy: -236.142 where: short stacking energy: -183.052 Base-Backbone interact. energy: -1.802 local terms energy: -374.240058 where: bonds (distance) C4'-P energy: -104.251 bonds (distance) P-C4' energy: -134.294 flat angles C4'-P-C4' energy: -122.703 flat angles P-C4'-P energy: -54.042 tors. eta vs tors. theta energy: 41.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -2656.319073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.319073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.319073 (E_RNA) where: Base-Base interactions energy: -1812.711 where: short stacking energy: -755.550 Base-Backbone interact. energy: -0.301 local terms energy: -843.306977 where: bonds (distance) C4'-P energy: -149.930 bonds (distance) P-C4' energy: -167.681 flat angles C4'-P-C4' energy: -183.967 flat angles P-C4'-P energy: -109.032 tors. eta vs tors. theta energy: -232.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -2475.872190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.872190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.872190 (E_RNA) where: Base-Base interactions energy: -1654.633 where: short stacking energy: -727.370 Base-Backbone interact. energy: -5.215 local terms energy: -816.024553 where: bonds (distance) C4'-P energy: -160.698 bonds (distance) P-C4' energy: -158.250 flat angles C4'-P-C4' energy: -173.180 flat angles P-C4'-P energy: -109.716 tors. eta vs tors. theta energy: -214.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -2347.600864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.600864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.600864 (E_RNA) where: Base-Base interactions energy: -1553.076 where: short stacking energy: -683.566 Base-Backbone interact. energy: -2.110 local terms energy: -792.414849 where: bonds (distance) C4'-P energy: -150.441 bonds (distance) P-C4' energy: -154.127 flat angles C4'-P-C4' energy: -177.071 flat angles P-C4'-P energy: -110.989 tors. eta vs tors. theta energy: -199.786 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: 4 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -2269.869503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.869503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.869503 (E_RNA) where: Base-Base interactions energy: -1508.509 where: short stacking energy: -677.477 Base-Backbone interact. energy: -4.713 local terms energy: -756.647541 where: bonds (distance) C4'-P energy: -137.447 bonds (distance) P-C4' energy: -146.662 flat angles C4'-P-C4' energy: -171.126 flat angles P-C4'-P energy: -103.139 tors. eta vs tors. theta energy: -198.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -1945.363068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.363068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.363068 (E_RNA) where: Base-Base interactions energy: -1231.128 where: short stacking energy: -541.831 Base-Backbone interact. energy: 0.245 local terms energy: -714.479260 where: bonds (distance) C4'-P energy: -151.853 bonds (distance) P-C4' energy: -154.546 flat angles C4'-P-C4' energy: -160.830 flat angles P-C4'-P energy: -98.742 tors. eta vs tors. theta energy: -148.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1728.041353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.041353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.041353 (E_RNA) where: Base-Base interactions energy: -1112.108 where: short stacking energy: -492.475 Base-Backbone interact. energy: 4.818 local terms energy: -620.750752 where: bonds (distance) C4'-P energy: -134.143 bonds (distance) P-C4' energy: -132.763 flat angles C4'-P-C4' energy: -151.060 flat angles P-C4'-P energy: -86.967 tors. eta vs tors. theta energy: -115.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1416.713871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.713871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.713871 (E_RNA) where: Base-Base interactions energy: -862.782 where: short stacking energy: -393.922 Base-Backbone interact. energy: -3.226 local terms energy: -550.705833 where: bonds (distance) C4'-P energy: -134.629 bonds (distance) P-C4' energy: -143.596 flat angles C4'-P-C4' energy: -127.799 flat angles P-C4'-P energy: -89.904 tors. eta vs tors. theta energy: -54.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1335.308443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.308443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.308443 (E_RNA) where: Base-Base interactions energy: -808.040 where: short stacking energy: -356.200 Base-Backbone interact. energy: 0.665 local terms energy: -527.933695 where: bonds (distance) C4'-P energy: -128.403 bonds (distance) P-C4' energy: -133.262 flat angles C4'-P-C4' energy: -134.432 flat angles P-C4'-P energy: -80.346 tors. eta vs tors. theta energy: -51.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -1007.850373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.850373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.850373 (E_RNA) where: Base-Base interactions energy: -535.618 where: short stacking energy: -293.811 Base-Backbone interact. energy: 2.273 local terms energy: -474.505325 where: bonds (distance) C4'-P energy: -111.996 bonds (distance) P-C4' energy: -125.949 flat angles C4'-P-C4' energy: -125.759 flat angles P-C4'-P energy: -72.844 tors. eta vs tors. theta energy: -37.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -598.386066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.386066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.386066 (E_RNA) where: Base-Base interactions energy: -203.615 where: short stacking energy: -179.011 Base-Backbone interact. energy: -0.219 local terms energy: -394.552031 where: bonds (distance) C4'-P energy: -122.056 bonds (distance) P-C4' energy: -126.887 flat angles C4'-P-C4' energy: -118.004 flat angles P-C4'-P energy: -61.757 tors. eta vs tors. theta energy: 34.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -2679.304345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.304345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.304345 (E_RNA) where: Base-Base interactions energy: -1838.996 where: short stacking energy: -769.755 Base-Backbone interact. energy: -1.150 local terms energy: -839.158189 where: bonds (distance) C4'-P energy: -143.912 bonds (distance) P-C4' energy: -180.142 flat angles C4'-P-C4' energy: -176.772 flat angles P-C4'-P energy: -112.195 tors. eta vs tors. theta energy: -226.138 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: 2, replica: 8 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -2477.572991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.572991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.572991 (E_RNA) where: Base-Base interactions energy: -1681.440 where: short stacking energy: -685.483 Base-Backbone interact. energy: 1.211 local terms energy: -797.343064 where: bonds (distance) C4'-P energy: -158.882 bonds (distance) P-C4' energy: -161.525 flat angles C4'-P-C4' energy: -174.149 flat angles P-C4'-P energy: -108.619 tors. eta vs tors. theta energy: -194.169 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: 2 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -2374.074985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.074985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.074985 (E_RNA) where: Base-Base interactions energy: -1609.595 where: short stacking energy: -722.201 Base-Backbone interact. energy: -2.900 local terms energy: -761.580004 where: bonds (distance) C4'-P energy: -142.702 bonds (distance) P-C4' energy: -158.818 flat angles C4'-P-C4' energy: -160.584 flat angles P-C4'-P energy: -97.619 tors. eta vs tors. theta energy: -201.857 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: 4, replica: 4 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -2192.710783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.710783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.710783 (E_RNA) where: Base-Base interactions energy: -1451.859 where: short stacking energy: -641.370 Base-Backbone interact. energy: -3.223 local terms energy: -737.628753 where: bonds (distance) C4'-P energy: -149.747 bonds (distance) P-C4' energy: -154.960 flat angles C4'-P-C4' energy: -147.667 flat angles P-C4'-P energy: -108.463 tors. eta vs tors. theta energy: -176.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1974.850555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.850555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.850555 (E_RNA) where: Base-Base interactions energy: -1306.025 where: short stacking energy: -556.152 Base-Backbone interact. energy: 1.094 local terms energy: -669.919384 where: bonds (distance) C4'-P energy: -129.383 bonds (distance) P-C4' energy: -136.692 flat angles C4'-P-C4' energy: -162.471 flat angles P-C4'-P energy: -99.693 tors. eta vs tors. theta energy: -141.680 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: 6, replica: 3 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1734.214291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.214291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.214291 (E_RNA) where: Base-Base interactions energy: -1074.765 where: short stacking energy: -492.691 Base-Backbone interact. energy: -1.435 local terms energy: -658.013735 where: bonds (distance) C4'-P energy: -148.272 bonds (distance) P-C4' energy: -149.191 flat angles C4'-P-C4' energy: -150.568 flat angles P-C4'-P energy: -90.429 tors. eta vs tors. theta energy: -119.553 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: 7, replica: 5 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1381.699249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.699249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.699249 (E_RNA) where: Base-Base interactions energy: -823.254 where: short stacking energy: -414.194 Base-Backbone interact. energy: -3.137 local terms energy: -555.308455 where: bonds (distance) C4'-P energy: -129.672 bonds (distance) P-C4' energy: -145.967 flat angles C4'-P-C4' energy: -128.574 flat angles P-C4'-P energy: -78.861 tors. eta vs tors. theta energy: -72.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1277.094079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.094079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.094079 (E_RNA) where: Base-Base interactions energy: -744.195 where: short stacking energy: -368.975 Base-Backbone interact. energy: -4.935 local terms energy: -527.964034 where: bonds (distance) C4'-P energy: -150.906 bonds (distance) P-C4' energy: -122.192 flat angles C4'-P-C4' energy: -117.018 flat angles P-C4'-P energy: -80.870 tors. eta vs tors. theta energy: -56.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -957.411725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.411725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.411725 (E_RNA) where: Base-Base interactions energy: -523.242 where: short stacking energy: -272.778 Base-Backbone interact. energy: 5.613 local terms energy: -439.782332 where: bonds (distance) C4'-P energy: -126.948 bonds (distance) P-C4' energy: -131.552 flat angles C4'-P-C4' energy: -112.947 flat angles P-C4'-P energy: -79.351 tors. eta vs tors. theta energy: 11.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -601.991191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.991191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.991191 (E_RNA) where: Base-Base interactions energy: -219.963 where: short stacking energy: -163.907 Base-Backbone interact. energy: 7.503 local terms energy: -389.531225 where: bonds (distance) C4'-P energy: -130.809 bonds (distance) P-C4' energy: -130.306 flat angles C4'-P-C4' energy: -103.597 flat angles P-C4'-P energy: -60.198 tors. eta vs tors. theta energy: 35.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -2667.447339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.447339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.447339 (E_RNA) where: Base-Base interactions energy: -1815.698 where: short stacking energy: -768.568 Base-Backbone interact. energy: -3.144 local terms energy: -848.605649 where: bonds (distance) C4'-P energy: -168.088 bonds (distance) P-C4' energy: -173.845 flat angles C4'-P-C4' energy: -178.570 flat angles P-C4'-P energy: -107.784 tors. eta vs tors. theta energy: -220.318 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: 8 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -2526.237471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.237471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.237471 (E_RNA) where: Base-Base interactions energy: -1701.035 where: short stacking energy: -732.011 Base-Backbone interact. energy: -2.469 local terms energy: -822.733597 where: bonds (distance) C4'-P energy: -157.148 bonds (distance) P-C4' energy: -160.285 flat angles C4'-P-C4' energy: -174.214 flat angles P-C4'-P energy: -114.366 tors. eta vs tors. theta energy: -216.721 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: 3, replica: 2 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -2349.487113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.487113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.487113 (E_RNA) where: Base-Base interactions energy: -1577.102 where: short stacking energy: -701.312 Base-Backbone interact. energy: -2.683 local terms energy: -769.702089 where: bonds (distance) C4'-P energy: -145.998 bonds (distance) P-C4' energy: -150.104 flat angles C4'-P-C4' energy: -166.024 flat angles P-C4'-P energy: -105.957 tors. eta vs tors. theta energy: -201.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -2182.949399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.949399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.949399 (E_RNA) where: Base-Base interactions energy: -1461.273 where: short stacking energy: -622.559 Base-Backbone interact. energy: -0.049 local terms energy: -721.627552 where: bonds (distance) C4'-P energy: -160.393 bonds (distance) P-C4' energy: -146.298 flat angles C4'-P-C4' energy: -144.796 flat angles P-C4'-P energy: -102.338 tors. eta vs tors. theta energy: -167.802 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: 5, replica: 10 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1993.650517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.650517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.650517 (E_RNA) where: Base-Base interactions energy: -1307.634 where: short stacking energy: -597.325 Base-Backbone interact. energy: 2.213 local terms energy: -688.230006 where: bonds (distance) C4'-P energy: -123.235 bonds (distance) P-C4' energy: -149.637 flat angles C4'-P-C4' energy: -163.672 flat angles P-C4'-P energy: -92.107 tors. eta vs tors. theta energy: -159.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1815.016087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.016087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.016087 (E_RNA) where: Base-Base interactions energy: -1154.196 where: short stacking energy: -530.229 Base-Backbone interact. energy: -3.050 local terms energy: -657.770244 where: bonds (distance) C4'-P energy: -135.024 bonds (distance) P-C4' energy: -146.914 flat angles C4'-P-C4' energy: -156.498 flat angles P-C4'-P energy: -90.116 tors. eta vs tors. theta energy: -129.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1438.014220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.014220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.014220 (E_RNA) where: Base-Base interactions energy: -854.920 where: short stacking energy: -409.929 Base-Backbone interact. energy: -3.871 local terms energy: -579.223133 where: bonds (distance) C4'-P energy: -133.131 bonds (distance) P-C4' energy: -146.819 flat angles C4'-P-C4' energy: -138.787 flat angles P-C4'-P energy: -80.979 tors. eta vs tors. theta energy: -79.506 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: 6 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1259.688704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.688704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.688704 (E_RNA) where: Base-Base interactions energy: -710.140 where: short stacking energy: -366.243 Base-Backbone interact. energy: 4.353 local terms energy: -553.902041 where: bonds (distance) C4'-P energy: -132.912 bonds (distance) P-C4' energy: -147.329 flat angles C4'-P-C4' energy: -123.063 flat angles P-C4'-P energy: -90.386 tors. eta vs tors. theta energy: -60.211 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: 7 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -960.600855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.600855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.600855 (E_RNA) where: Base-Base interactions energy: -491.199 where: short stacking energy: -285.374 Base-Backbone interact. energy: 2.072 local terms energy: -471.473066 where: bonds (distance) C4'-P energy: -128.915 bonds (distance) P-C4' energy: -135.680 flat angles C4'-P-C4' energy: -109.749 flat angles P-C4'-P energy: -88.222 tors. eta vs tors. theta energy: -8.907 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: 9 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -646.177390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.177390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.177390 (E_RNA) where: Base-Base interactions energy: -270.253 where: short stacking energy: -153.596 Base-Backbone interact. energy: 9.004 local terms energy: -384.928724 where: bonds (distance) C4'-P energy: -130.050 bonds (distance) P-C4' energy: -119.119 flat angles C4'-P-C4' energy: -103.512 flat angles P-C4'-P energy: -67.462 tors. eta vs tors. theta energy: 35.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -2658.676941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.676941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.676941 (E_RNA) where: Base-Base interactions energy: -1815.811 where: short stacking energy: -763.017 Base-Backbone interact. energy: -1.685 local terms energy: -841.180647 where: bonds (distance) C4'-P energy: -166.678 bonds (distance) P-C4' energy: -156.503 flat angles C4'-P-C4' energy: -180.268 flat angles P-C4'-P energy: -111.080 tors. eta vs tors. theta energy: -226.652 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: 8 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -2555.738970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.738970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.738970 (E_RNA) where: Base-Base interactions energy: -1751.866 where: short stacking energy: -737.808 Base-Backbone interact. energy: -5.953 local terms energy: -797.919710 where: bonds (distance) C4'-P energy: -148.903 bonds (distance) P-C4' energy: -145.739 flat angles C4'-P-C4' energy: -174.734 flat angles P-C4'-P energy: -118.740 tors. eta vs tors. theta energy: -209.804 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: 123 Temperature: 1.000000 Total energy: -2354.798491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.798491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.798491 (E_RNA) where: Base-Base interactions energy: -1561.833 where: short stacking energy: -686.639 Base-Backbone interact. energy: -3.824 local terms energy: -789.141198 where: bonds (distance) C4'-P energy: -148.379 bonds (distance) P-C4' energy: -160.926 flat angles C4'-P-C4' energy: -169.946 flat angles P-C4'-P energy: -115.130 tors. eta vs tors. theta energy: -194.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -2243.897777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.897777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.897777 (E_RNA) where: Base-Base interactions energy: -1488.321 where: short stacking energy: -636.337 Base-Backbone interact. energy: -0.874 local terms energy: -754.702835 where: bonds (distance) C4'-P energy: -145.858 bonds (distance) P-C4' energy: -144.687 flat angles C4'-P-C4' energy: -148.045 flat angles P-C4'-P energy: -130.102 tors. eta vs tors. theta energy: -186.010 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: 5, replica: 10 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -2031.192703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.192703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.192703 (E_RNA) where: Base-Base interactions energy: -1319.278 where: short stacking energy: -547.376 Base-Backbone interact. energy: 0.732 local terms energy: -712.645969 where: bonds (distance) C4'-P energy: -149.672 bonds (distance) P-C4' energy: -154.346 flat angles C4'-P-C4' energy: -172.500 flat angles P-C4'-P energy: -86.020 tors. eta vs tors. theta energy: -150.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1692.047104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.047104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.047104 (E_RNA) where: Base-Base interactions energy: -1065.282 where: short stacking energy: -496.447 Base-Backbone interact. energy: -2.176 local terms energy: -624.589054 where: bonds (distance) C4'-P energy: -136.586 bonds (distance) P-C4' energy: -150.599 flat angles C4'-P-C4' energy: -140.849 flat angles P-C4'-P energy: -90.850 tors. eta vs tors. theta energy: -105.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1403.247770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.247770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.247770 (E_RNA) where: Base-Base interactions energy: -829.485 where: short stacking energy: -401.045 Base-Backbone interact. energy: -0.323 local terms energy: -573.439177 where: bonds (distance) C4'-P energy: -143.790 bonds (distance) P-C4' energy: -139.472 flat angles C4'-P-C4' energy: -129.177 flat angles P-C4'-P energy: -86.263 tors. eta vs tors. theta energy: -74.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1285.213988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.213988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.213988 (E_RNA) where: Base-Base interactions energy: -749.648 where: short stacking energy: -373.010 Base-Backbone interact. energy: 1.167 local terms energy: -536.732006 where: bonds (distance) C4'-P energy: -116.423 bonds (distance) P-C4' energy: -138.384 flat angles C4'-P-C4' energy: -149.920 flat angles P-C4'-P energy: -90.852 tors. eta vs tors. theta energy: -41.152 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: 7 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -951.467344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.467344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.467344 (E_RNA) where: Base-Base interactions energy: -491.374 where: short stacking energy: -267.253 Base-Backbone interact. energy: 2.635 local terms energy: -462.728428 where: bonds (distance) C4'-P energy: -127.249 bonds (distance) P-C4' energy: -148.717 flat angles C4'-P-C4' energy: -104.024 flat angles P-C4'-P energy: -75.481 tors. eta vs tors. theta energy: -7.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -708.543947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.543947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.543947 (E_RNA) where: Base-Base interactions energy: -297.370 where: short stacking energy: -185.762 Base-Backbone interact. energy: 1.030 local terms energy: -412.204079 where: bonds (distance) C4'-P energy: -131.426 bonds (distance) P-C4' energy: -141.492 flat angles C4'-P-C4' energy: -107.575 flat angles P-C4'-P energy: -51.825 tors. eta vs tors. theta energy: 20.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -2660.665704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.665704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.665704 (E_RNA) where: Base-Base interactions energy: -1838.534 where: short stacking energy: -757.769 Base-Backbone interact. energy: -2.494 local terms energy: -819.636898 where: bonds (distance) C4'-P energy: -158.459 bonds (distance) P-C4' energy: -149.056 flat angles C4'-P-C4' energy: -190.213 flat angles P-C4'-P energy: -112.459 tors. eta vs tors. theta energy: -209.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -2576.424024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.424024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.424024 (E_RNA) where: Base-Base interactions energy: -1739.039 where: short stacking energy: -758.988 Base-Backbone interact. energy: -5.837 local terms energy: -831.548030 where: bonds (distance) C4'-P energy: -161.695 bonds (distance) P-C4' energy: -163.960 flat angles C4'-P-C4' energy: -172.210 flat angles P-C4'-P energy: -111.214 tors. eta vs tors. theta energy: -222.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -2315.661091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.661091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.661091 (E_RNA) where: Base-Base interactions energy: -1564.859 where: short stacking energy: -685.662 Base-Backbone interact. energy: -3.601 local terms energy: -747.200706 where: bonds (distance) C4'-P energy: -154.905 bonds (distance) P-C4' energy: -142.023 flat angles C4'-P-C4' energy: -174.641 flat angles P-C4'-P energy: -104.266 tors. eta vs tors. theta energy: -171.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -2241.868756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.868756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.868756 (E_RNA) where: Base-Base interactions energy: -1505.607 where: short stacking energy: -664.897 Base-Backbone interact. energy: -2.460 local terms energy: -733.801155 where: bonds (distance) C4'-P energy: -138.463 bonds (distance) P-C4' energy: -145.562 flat angles C4'-P-C4' energy: -165.491 flat angles P-C4'-P energy: -104.514 tors. eta vs tors. theta energy: -179.771 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: 5, replica: 10 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -2021.548413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.548413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.548413 (E_RNA) where: Base-Base interactions energy: -1334.025 where: short stacking energy: -596.582 Base-Backbone interact. energy: -2.805 local terms energy: -684.718524 where: bonds (distance) C4'-P energy: -128.308 bonds (distance) P-C4' energy: -151.062 flat angles C4'-P-C4' energy: -161.695 flat angles P-C4'-P energy: -101.633 tors. eta vs tors. theta energy: -142.021 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: 6, replica: 3 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1716.745736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.745736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.745736 (E_RNA) where: Base-Base interactions energy: -1112.245 where: short stacking energy: -493.032 Base-Backbone interact. energy: -2.148 local terms energy: -602.353020 where: bonds (distance) C4'-P energy: -118.321 bonds (distance) P-C4' energy: -132.053 flat angles C4'-P-C4' energy: -142.891 flat angles P-C4'-P energy: -100.664 tors. eta vs tors. theta energy: -108.424 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: 5 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1462.524978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.524978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.524978 (E_RNA) where: Base-Base interactions energy: -863.523 where: short stacking energy: -399.944 Base-Backbone interact. energy: 5.318 local terms energy: -604.320353 where: bonds (distance) C4'-P energy: -138.960 bonds (distance) P-C4' energy: -151.950 flat angles C4'-P-C4' energy: -154.847 flat angles P-C4'-P energy: -76.886 tors. eta vs tors. theta energy: -81.677 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: 6 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1416.756699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.756699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.756699 (E_RNA) where: Base-Base interactions energy: -848.144 where: short stacking energy: -410.966 Base-Backbone interact. energy: -1.885 local terms energy: -566.727093 where: bonds (distance) C4'-P energy: -114.779 bonds (distance) P-C4' energy: -150.125 flat angles C4'-P-C4' energy: -145.144 flat angles P-C4'-P energy: -84.321 tors. eta vs tors. theta energy: -72.358 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: 9, replica: 7 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -1032.256356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.256356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.256356 (E_RNA) where: Base-Base interactions energy: -560.196 where: short stacking energy: -294.807 Base-Backbone interact. energy: 7.275 local terms energy: -479.334922 where: bonds (distance) C4'-P energy: -125.042 bonds (distance) P-C4' energy: -138.771 flat angles C4'-P-C4' energy: -130.942 flat angles P-C4'-P energy: -53.378 tors. eta vs tors. theta energy: -31.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -670.416588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.416588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.416588 (E_RNA) where: Base-Base interactions energy: -285.603 where: short stacking energy: -172.299 Base-Backbone interact. energy: 1.193 local terms energy: -386.006469 where: bonds (distance) C4'-P energy: -124.684 bonds (distance) P-C4' energy: -142.311 flat angles C4'-P-C4' energy: -98.806 flat angles P-C4'-P energy: -54.022 tors. eta vs tors. theta energy: 33.816 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: 1, replica: 1 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -2656.812204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.812204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.812204 (E_RNA) where: Base-Base interactions energy: -1808.903 where: short stacking energy: -766.321 Base-Backbone interact. energy: -4.153 local terms energy: -843.755280 where: bonds (distance) C4'-P energy: -147.441 bonds (distance) P-C4' energy: -173.968 flat angles C4'-P-C4' energy: -183.843 flat angles P-C4'-P energy: -110.894 tors. eta vs tors. theta energy: -227.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -2547.210561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.210561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.210561 (E_RNA) where: Base-Base interactions energy: -1742.352 where: short stacking energy: -745.668 Base-Backbone interact. energy: -3.638 local terms energy: -801.220616 where: bonds (distance) C4'-P energy: -155.727 bonds (distance) P-C4' energy: -146.646 flat angles C4'-P-C4' energy: -187.518 flat angles P-C4'-P energy: -101.064 tors. eta vs tors. theta energy: -210.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -2345.327038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.327038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.327038 (E_RNA) where: Base-Base interactions energy: -1554.317 where: short stacking energy: -698.212 Base-Backbone interact. energy: -1.612 local terms energy: -789.398446 where: bonds (distance) C4'-P energy: -150.588 bonds (distance) P-C4' energy: -159.703 flat angles C4'-P-C4' energy: -173.906 flat angles P-C4'-P energy: -107.449 tors. eta vs tors. theta energy: -197.753 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: 4, replica: 4 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -2277.346193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.346193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.346193 (E_RNA) where: Base-Base interactions energy: -1480.325 where: short stacking energy: -647.556 Base-Backbone interact. energy: 2.486 local terms energy: -799.507193 where: bonds (distance) C4'-P energy: -171.502 bonds (distance) P-C4' energy: -172.248 flat angles C4'-P-C4' energy: -162.322 flat angles P-C4'-P energy: -115.787 tors. eta vs tors. theta energy: -177.649 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: 5, replica: 10 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -2000.414105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.414105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.414105 (E_RNA) where: Base-Base interactions energy: -1320.622 where: short stacking energy: -596.586 Base-Backbone interact. energy: 3.291 local terms energy: -683.083518 where: bonds (distance) C4'-P energy: -152.229 bonds (distance) P-C4' energy: -141.975 flat angles C4'-P-C4' energy: -140.111 flat angles P-C4'-P energy: -87.103 tors. eta vs tors. theta energy: -161.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1731.528341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.528341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.528341 (E_RNA) where: Base-Base interactions energy: -1085.121 where: short stacking energy: -488.157 Base-Backbone interact. energy: 3.600 local terms energy: -650.006899 where: bonds (distance) C4'-P energy: -126.349 bonds (distance) P-C4' energy: -153.949 flat angles C4'-P-C4' energy: -153.909 flat angles P-C4'-P energy: -98.677 tors. eta vs tors. theta energy: -117.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1444.721965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.721965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.721965 (E_RNA) where: Base-Base interactions energy: -876.098 where: short stacking energy: -414.500 Base-Backbone interact. energy: -2.834 local terms energy: -565.790106 where: bonds (distance) C4'-P energy: -150.148 bonds (distance) P-C4' energy: -129.331 flat angles C4'-P-C4' energy: -125.605 flat angles P-C4'-P energy: -84.055 tors. eta vs tors. theta energy: -76.651 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: 6 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1376.012088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.012088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.012088 (E_RNA) where: Base-Base interactions energy: -849.894 where: short stacking energy: -406.733 Base-Backbone interact. energy: 0.265 local terms energy: -526.383495 where: bonds (distance) C4'-P energy: -117.237 bonds (distance) P-C4' energy: -133.355 flat angles C4'-P-C4' energy: -145.524 flat angles P-C4'-P energy: -67.838 tors. eta vs tors. theta energy: -62.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -1013.281599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.281599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.281599 (E_RNA) where: Base-Base interactions energy: -514.496 where: short stacking energy: -298.595 Base-Backbone interact. energy: 3.578 local terms energy: -502.363994 where: bonds (distance) C4'-P energy: -133.311 bonds (distance) P-C4' energy: -126.802 flat angles C4'-P-C4' energy: -136.656 flat angles P-C4'-P energy: -83.268 tors. eta vs tors. theta energy: -22.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -604.051967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.051967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.051967 (E_RNA) where: Base-Base interactions energy: -208.502 where: short stacking energy: -156.986 Base-Backbone interact. energy: 0.910 local terms energy: -396.459715 where: bonds (distance) C4'-P energy: -120.368 bonds (distance) P-C4' energy: -131.889 flat angles C4'-P-C4' energy: -128.465 flat angles P-C4'-P energy: -40.413 tors. eta vs tors. theta energy: 24.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -2684.118763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.118763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.118763 (E_RNA) where: Base-Base interactions energy: -1804.976 where: short stacking energy: -766.626 Base-Backbone interact. energy: 1.542 local terms energy: -880.684942 where: bonds (distance) C4'-P energy: -161.327 bonds (distance) P-C4' energy: -172.092 flat angles C4'-P-C4' energy: -185.315 flat angles P-C4'-P energy: -119.004 tors. eta vs tors. theta energy: -242.947 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: 8 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -2532.851120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.851120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.851120 (E_RNA) where: Base-Base interactions energy: -1717.696 where: short stacking energy: -762.285 Base-Backbone interact. energy: -6.147 local terms energy: -809.007499 where: bonds (distance) C4'-P energy: -152.757 bonds (distance) P-C4' energy: -146.694 flat angles C4'-P-C4' energy: -177.811 flat angles P-C4'-P energy: -118.022 tors. eta vs tors. theta energy: -213.723 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: 2 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -2337.618110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.618110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.618110 (E_RNA) where: Base-Base interactions energy: -1566.157 where: short stacking energy: -705.269 Base-Backbone interact. energy: -3.993 local terms energy: -767.468309 where: bonds (distance) C4'-P energy: -149.377 bonds (distance) P-C4' energy: -155.906 flat angles C4'-P-C4' energy: -166.301 flat angles P-C4'-P energy: -97.683 tors. eta vs tors. theta energy: -198.201 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: 4 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -2263.292126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.292126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.292126 (E_RNA) where: Base-Base interactions energy: -1514.552 where: short stacking energy: -665.310 Base-Backbone interact. energy: -0.924 local terms energy: -747.816240 where: bonds (distance) C4'-P energy: -149.113 bonds (distance) P-C4' energy: -143.347 flat angles C4'-P-C4' energy: -163.754 flat angles P-C4'-P energy: -115.260 tors. eta vs tors. theta energy: -176.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -1970.841743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.841743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.841743 (E_RNA) where: Base-Base interactions energy: -1267.372 where: short stacking energy: -578.580 Base-Backbone interact. energy: 4.828 local terms energy: -708.297688 where: bonds (distance) C4'-P energy: -149.907 bonds (distance) P-C4' energy: -155.870 flat angles C4'-P-C4' energy: -150.476 flat angles P-C4'-P energy: -90.422 tors. eta vs tors. theta energy: -161.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1789.928624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.928624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.928624 (E_RNA) where: Base-Base interactions energy: -1143.333 where: short stacking energy: -535.744 Base-Backbone interact. energy: -1.843 local terms energy: -644.753277 where: bonds (distance) C4'-P energy: -132.492 bonds (distance) P-C4' energy: -151.297 flat angles C4'-P-C4' energy: -142.394 flat angles P-C4'-P energy: -89.692 tors. eta vs tors. theta energy: -128.878 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: 7, replica: 6 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1493.102849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.102849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.102849 (E_RNA) where: Base-Base interactions energy: -918.912 where: short stacking energy: -442.304 Base-Backbone interact. energy: -0.257 local terms energy: -573.933685 where: bonds (distance) C4'-P energy: -119.148 bonds (distance) P-C4' energy: -134.978 flat angles C4'-P-C4' energy: -156.297 flat angles P-C4'-P energy: -81.469 tors. eta vs tors. theta energy: -82.042 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: 8, replica: 5 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1383.880547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.880547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.880547 (E_RNA) where: Base-Base interactions energy: -852.754 where: short stacking energy: -384.767 Base-Backbone interact. energy: -0.762 local terms energy: -530.363949 where: bonds (distance) C4'-P energy: -137.549 bonds (distance) P-C4' energy: -130.203 flat angles C4'-P-C4' energy: -151.539 flat angles P-C4'-P energy: -64.601 tors. eta vs tors. theta energy: -46.472 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: 7 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -1029.483768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.483768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.483768 (E_RNA) where: Base-Base interactions energy: -540.776 where: short stacking energy: -312.316 Base-Backbone interact. energy: -5.501 local terms energy: -483.206190 where: bonds (distance) C4'-P energy: -118.926 bonds (distance) P-C4' energy: -143.636 flat angles C4'-P-C4' energy: -119.602 flat angles P-C4'-P energy: -72.557 tors. eta vs tors. theta energy: -28.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -622.580114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.580114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.580114 (E_RNA) where: Base-Base interactions energy: -226.111 where: short stacking energy: -150.894 Base-Backbone interact. energy: 1.634 local terms energy: -398.102812 where: bonds (distance) C4'-P energy: -117.124 bonds (distance) P-C4' energy: -136.886 flat angles C4'-P-C4' energy: -105.022 flat angles P-C4'-P energy: -67.634 tors. eta vs tors. theta energy: 28.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -2663.527282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.527282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.527282 (E_RNA) where: Base-Base interactions energy: -1829.250 where: short stacking energy: -762.177 Base-Backbone interact. energy: -1.230 local terms energy: -833.047523 where: bonds (distance) C4'-P energy: -162.959 bonds (distance) P-C4' energy: -164.008 flat angles C4'-P-C4' energy: -165.164 flat angles P-C4'-P energy: -113.006 tors. eta vs tors. theta energy: -227.911 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: 8 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2548.016010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.016010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.016010 (E_RNA) where: Base-Base interactions energy: -1707.381 where: short stacking energy: -727.174 Base-Backbone interact. energy: -6.362 local terms energy: -834.272793 where: bonds (distance) C4'-P energy: -174.691 bonds (distance) P-C4' energy: -160.633 flat angles C4'-P-C4' energy: -171.349 flat angles P-C4'-P energy: -116.259 tors. eta vs tors. theta energy: -211.341 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: 3, replica: 2 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -2347.362179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.362179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.362179 (E_RNA) where: Base-Base interactions energy: -1549.964 where: short stacking energy: -698.940 Base-Backbone interact. energy: -2.538 local terms energy: -794.860665 where: bonds (distance) C4'-P energy: -152.381 bonds (distance) P-C4' energy: -142.567 flat angles C4'-P-C4' energy: -168.200 flat angles P-C4'-P energy: -123.006 tors. eta vs tors. theta energy: -208.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -2252.071602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.071602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.071602 (E_RNA) where: Base-Base interactions energy: -1508.022 where: short stacking energy: -651.855 Base-Backbone interact. energy: -3.793 local terms energy: -740.257161 where: bonds (distance) C4'-P energy: -164.949 bonds (distance) P-C4' energy: -142.254 flat angles C4'-P-C4' energy: -148.057 flat angles P-C4'-P energy: -109.087 tors. eta vs tors. theta energy: -175.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1911.287851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.287851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.287851 (E_RNA) where: Base-Base interactions energy: -1205.180 where: short stacking energy: -523.097 Base-Backbone interact. energy: -1.484 local terms energy: -704.623371 where: bonds (distance) C4'-P energy: -161.825 bonds (distance) P-C4' energy: -147.753 flat angles C4'-P-C4' energy: -146.101 flat angles P-C4'-P energy: -104.506 tors. eta vs tors. theta energy: -144.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1828.135816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.135816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.135816 (E_RNA) where: Base-Base interactions energy: -1172.874 where: short stacking energy: -541.928 Base-Backbone interact. energy: 0.231 local terms energy: -655.492868 where: bonds (distance) C4'-P energy: -118.451 bonds (distance) P-C4' energy: -166.629 flat angles C4'-P-C4' energy: -144.757 flat angles P-C4'-P energy: -98.579 tors. eta vs tors. theta energy: -127.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1433.026763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.026763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.026763 (E_RNA) where: Base-Base interactions energy: -864.590 where: short stacking energy: -407.151 Base-Backbone interact. energy: 2.468 local terms energy: -570.905566 where: bonds (distance) C4'-P energy: -134.348 bonds (distance) P-C4' energy: -124.603 flat angles C4'-P-C4' energy: -157.047 flat angles P-C4'-P energy: -69.902 tors. eta vs tors. theta energy: -85.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1393.773284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.773284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.773284 (E_RNA) where: Base-Base interactions energy: -861.573 where: short stacking energy: -399.674 Base-Backbone interact. energy: 3.745 local terms energy: -535.945126 where: bonds (distance) C4'-P energy: -127.039 bonds (distance) P-C4' energy: -141.121 flat angles C4'-P-C4' energy: -127.362 flat angles P-C4'-P energy: -81.996 tors. eta vs tors. theta energy: -58.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -893.036266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.036266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.036266 (E_RNA) where: Base-Base interactions energy: -443.745 where: short stacking energy: -253.557 Base-Backbone interact. energy: 1.844 local terms energy: -451.135320 where: bonds (distance) C4'-P energy: -128.632 bonds (distance) P-C4' energy: -137.915 flat angles C4'-P-C4' energy: -97.017 flat angles P-C4'-P energy: -73.982 tors. eta vs tors. theta energy: -13.589 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: 9 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -720.428242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.428242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.428242 (E_RNA) where: Base-Base interactions energy: -318.696 where: short stacking energy: -208.107 Base-Backbone interact. energy: -2.768 local terms energy: -398.964090 where: bonds (distance) C4'-P energy: -104.117 bonds (distance) P-C4' energy: -126.870 flat angles C4'-P-C4' energy: -111.853 flat angles P-C4'-P energy: -66.332 tors. eta vs tors. theta energy: 10.208 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: 128 Temperature: 0.900000 Total energy: -2670.709033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.709033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.709033 (E_RNA) where: Base-Base interactions energy: -1804.007 where: short stacking energy: -783.796 Base-Backbone interact. energy: -3.313 local terms energy: -863.389125 where: bonds (distance) C4'-P energy: -160.124 bonds (distance) P-C4' energy: -176.076 flat angles C4'-P-C4' energy: -180.261 flat angles P-C4'-P energy: -121.372 tors. eta vs tors. theta energy: -225.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2514.077093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.077093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.077093 (E_RNA) where: Base-Base interactions energy: -1722.622 where: short stacking energy: -726.956 Base-Backbone interact. energy: -3.364 local terms energy: -788.090686 where: bonds (distance) C4'-P energy: -149.362 bonds (distance) P-C4' energy: -149.385 flat angles C4'-P-C4' energy: -180.696 flat angles P-C4'-P energy: -109.973 tors. eta vs tors. theta energy: -198.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -2310.318945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.318945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.318945 (E_RNA) where: Base-Base interactions energy: -1558.506 where: short stacking energy: -677.739 Base-Backbone interact. energy: -6.290 local terms energy: -745.523178 where: bonds (distance) C4'-P energy: -155.035 bonds (distance) P-C4' energy: -141.157 flat angles C4'-P-C4' energy: -169.095 flat angles P-C4'-P energy: -95.396 tors. eta vs tors. theta energy: -184.841 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: 4, replica: 2 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -2252.090634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.090634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.090634 (E_RNA) where: Base-Base interactions energy: -1509.129 where: short stacking energy: -673.174 Base-Backbone interact. energy: -2.395 local terms energy: -740.566685 where: bonds (distance) C4'-P energy: -151.942 bonds (distance) P-C4' energy: -145.565 flat angles C4'-P-C4' energy: -153.895 flat angles P-C4'-P energy: -107.303 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: 5, replica: 10 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1933.125962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.125962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.125962 (E_RNA) where: Base-Base interactions energy: -1247.128 where: short stacking energy: -532.094 Base-Backbone interact. energy: -3.421 local terms energy: -682.576753 where: bonds (distance) C4'-P energy: -142.888 bonds (distance) P-C4' energy: -151.461 flat angles C4'-P-C4' energy: -159.413 flat angles P-C4'-P energy: -98.266 tors. eta vs tors. theta energy: -130.548 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: 3 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1745.433131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.433131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.433131 (E_RNA) where: Base-Base interactions energy: -1122.599 where: short stacking energy: -513.458 Base-Backbone interact. energy: 1.476 local terms energy: -624.309336 where: bonds (distance) C4'-P energy: -146.124 bonds (distance) P-C4' energy: -136.882 flat angles C4'-P-C4' energy: -131.989 flat angles P-C4'-P energy: -94.849 tors. eta vs tors. theta energy: -114.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1490.685941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.685941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.685941 (E_RNA) where: Base-Base interactions energy: -901.297 where: short stacking energy: -408.311 Base-Backbone interact. energy: -2.676 local terms energy: -586.713083 where: bonds (distance) C4'-P energy: -128.039 bonds (distance) P-C4' energy: -146.159 flat angles C4'-P-C4' energy: -128.671 flat angles P-C4'-P energy: -104.099 tors. eta vs tors. theta energy: -79.744 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: 5 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1388.260867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.260867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.260867 (E_RNA) where: Base-Base interactions energy: -860.420 where: short stacking energy: -411.964 Base-Backbone interact. energy: -3.816 local terms energy: -524.024788 where: bonds (distance) C4'-P energy: -123.311 bonds (distance) P-C4' energy: -128.442 flat angles C4'-P-C4' energy: -118.758 flat angles P-C4'-P energy: -85.426 tors. eta vs tors. theta energy: -68.088 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: 9, replica: 7 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -819.016970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.016970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.016970 (E_RNA) where: Base-Base interactions energy: -362.434 where: short stacking energy: -232.238 Base-Backbone interact. energy: 2.572 local terms energy: -459.155638 where: bonds (distance) C4'-P energy: -142.407 bonds (distance) P-C4' energy: -143.307 flat angles C4'-P-C4' energy: -94.003 flat angles P-C4'-P energy: -80.834 tors. eta vs tors. theta energy: 1.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -708.639622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.639622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.639622 (E_RNA) where: Base-Base interactions energy: -325.997 where: short stacking energy: -225.293 Base-Backbone interact. energy: 5.589 local terms energy: -388.231743 where: bonds (distance) C4'-P energy: -131.113 bonds (distance) P-C4' energy: -100.652 flat angles C4'-P-C4' energy: -106.083 flat angles P-C4'-P energy: -62.168 tors. eta vs tors. theta energy: 11.785 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: 1 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -2647.006142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.006142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.006142 (E_RNA) where: Base-Base interactions energy: -1791.157 where: short stacking energy: -761.290 Base-Backbone interact. energy: 4.133 local terms energy: -859.982530 where: bonds (distance) C4'-P energy: -151.812 bonds (distance) P-C4' energy: -181.532 flat angles C4'-P-C4' energy: -191.780 flat angles P-C4'-P energy: -116.537 tors. eta vs tors. theta energy: -218.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -2518.343012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.343012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.343012 (E_RNA) where: Base-Base interactions energy: -1738.159 where: short stacking energy: -728.884 Base-Backbone interact. energy: -2.869 local terms energy: -777.315552 where: bonds (distance) C4'-P energy: -144.618 bonds (distance) P-C4' energy: -157.535 flat angles C4'-P-C4' energy: -182.824 flat angles P-C4'-P energy: -99.934 tors. eta vs tors. theta energy: -192.406 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: 4 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -2296.155115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.155115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.155115 (E_RNA) where: Base-Base interactions energy: -1568.958 where: short stacking energy: -679.151 Base-Backbone interact. energy: -3.935 local terms energy: -723.262231 where: bonds (distance) C4'-P energy: -127.639 bonds (distance) P-C4' energy: -140.471 flat angles C4'-P-C4' energy: -160.373 flat angles P-C4'-P energy: -119.817 tors. eta vs tors. theta energy: -174.961 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: 4, replica: 2 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -2230.401530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.401530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.401530 (E_RNA) where: Base-Base interactions energy: -1478.752 where: short stacking energy: -670.830 Base-Backbone interact. energy: -2.805 local terms energy: -748.844327 where: bonds (distance) C4'-P energy: -152.360 bonds (distance) P-C4' energy: -145.567 flat angles C4'-P-C4' energy: -171.666 flat angles P-C4'-P energy: -96.325 tors. eta vs tors. theta energy: -182.926 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: 5, replica: 10 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1890.758870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.758870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.758870 (E_RNA) where: Base-Base interactions energy: -1245.525 where: short stacking energy: -518.955 Base-Backbone interact. energy: 1.168 local terms energy: -646.401926 where: bonds (distance) C4'-P energy: -121.585 bonds (distance) P-C4' energy: -145.679 flat angles C4'-P-C4' energy: -146.269 flat angles P-C4'-P energy: -100.423 tors. eta vs tors. theta energy: -132.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1720.265193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.265193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.265193 (E_RNA) where: Base-Base interactions energy: -1124.289 where: short stacking energy: -471.261 Base-Backbone interact. energy: -3.196 local terms energy: -592.780608 where: bonds (distance) C4'-P energy: -135.596 bonds (distance) P-C4' energy: -136.524 flat angles C4'-P-C4' energy: -147.040 flat angles P-C4'-P energy: -81.140 tors. eta vs tors. theta energy: -92.481 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: 6 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1486.546661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.546661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.546661 (E_RNA) where: Base-Base interactions energy: -938.330 where: short stacking energy: -480.028 Base-Backbone interact. energy: -1.273 local terms energy: -546.943235 where: bonds (distance) C4'-P energy: -113.592 bonds (distance) P-C4' energy: -137.815 flat angles C4'-P-C4' energy: -132.107 flat angles P-C4'-P energy: -61.223 tors. eta vs tors. theta energy: -102.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1354.740501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.740501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.740501 (E_RNA) where: Base-Base interactions energy: -804.137 where: short stacking energy: -392.289 Base-Backbone interact. energy: 0.471 local terms energy: -551.075276 where: bonds (distance) C4'-P energy: -117.569 bonds (distance) P-C4' energy: -135.833 flat angles C4'-P-C4' energy: -149.024 flat angles P-C4'-P energy: -84.638 tors. eta vs tors. theta energy: -64.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -926.118845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.118845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.118845 (E_RNA) where: Base-Base interactions energy: -481.571 where: short stacking energy: -282.851 Base-Backbone interact. energy: -1.433 local terms energy: -443.114440 where: bonds (distance) C4'-P energy: -126.398 bonds (distance) P-C4' energy: -115.959 flat angles C4'-P-C4' energy: -131.119 flat angles P-C4'-P energy: -61.592 tors. eta vs tors. theta energy: -8.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -706.458243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.458243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.458243 (E_RNA) where: Base-Base interactions energy: -275.866 where: short stacking energy: -187.542 Base-Backbone interact. energy: 1.701 local terms energy: -432.292859 where: bonds (distance) C4'-P energy: -116.721 bonds (distance) P-C4' energy: -141.605 flat angles C4'-P-C4' energy: -110.655 flat angles P-C4'-P energy: -72.023 tors. eta vs tors. theta energy: 8.711 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: 1 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -2637.903408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.903408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.903408 (E_RNA) where: Base-Base interactions energy: -1811.909 where: short stacking energy: -781.581 Base-Backbone interact. energy: -2.608 local terms energy: -823.385918 where: bonds (distance) C4'-P energy: -151.961 bonds (distance) P-C4' energy: -167.663 flat angles C4'-P-C4' energy: -183.374 flat angles P-C4'-P energy: -89.842 tors. eta vs tors. theta energy: -230.546 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: 2, replica: 8 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -2512.609972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.609972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.609972 (E_RNA) where: Base-Base interactions energy: -1706.512 where: short stacking energy: -707.760 Base-Backbone interact. energy: -4.977 local terms energy: -801.121641 where: bonds (distance) C4'-P energy: -147.228 bonds (distance) P-C4' energy: -152.971 flat angles C4'-P-C4' energy: -184.216 flat angles P-C4'-P energy: -115.178 tors. eta vs tors. theta energy: -201.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -2385.577524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.577524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.577524 (E_RNA) where: Base-Base interactions energy: -1612.095 where: short stacking energy: -699.786 Base-Backbone interact. energy: -2.821 local terms energy: -770.661515 where: bonds (distance) C4'-P energy: -155.782 bonds (distance) P-C4' energy: -141.205 flat angles C4'-P-C4' energy: -171.821 flat angles P-C4'-P energy: -116.490 tors. eta vs tors. theta energy: -185.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -2197.641075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.641075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.641075 (E_RNA) where: Base-Base interactions energy: -1445.821 where: short stacking energy: -632.275 Base-Backbone interact. energy: 0.995 local terms energy: -752.814691 where: bonds (distance) C4'-P energy: -166.412 bonds (distance) P-C4' energy: -156.212 flat angles C4'-P-C4' energy: -157.072 flat angles P-C4'-P energy: -104.437 tors. eta vs tors. theta energy: -168.681 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: 10 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1903.914347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.914347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.914347 (E_RNA) where: Base-Base interactions energy: -1209.181 where: short stacking energy: -590.120 Base-Backbone interact. energy: -2.988 local terms energy: -691.745820 where: bonds (distance) C4'-P energy: -153.124 bonds (distance) P-C4' energy: -139.291 flat angles C4'-P-C4' energy: -151.150 flat angles P-C4'-P energy: -104.699 tors. eta vs tors. theta energy: -143.481 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: 6, replica: 3 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1667.599583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.599583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.599583 (E_RNA) where: Base-Base interactions energy: -1057.180 where: short stacking energy: -473.681 Base-Backbone interact. energy: -0.253 local terms energy: -610.166772 where: bonds (distance) C4'-P energy: -148.303 bonds (distance) P-C4' energy: -158.624 flat angles C4'-P-C4' energy: -135.116 flat angles P-C4'-P energy: -77.216 tors. eta vs tors. theta energy: -90.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1491.429952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.429952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.429952 (E_RNA) where: Base-Base interactions energy: -917.661 where: short stacking energy: -443.654 Base-Backbone interact. energy: -3.445 local terms energy: -570.324163 where: bonds (distance) C4'-P energy: -131.617 bonds (distance) P-C4' energy: -128.321 flat angles C4'-P-C4' energy: -143.255 flat angles P-C4'-P energy: -86.413 tors. eta vs tors. theta energy: -80.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1279.978820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.978820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.978820 (E_RNA) where: Base-Base interactions energy: -768.890 where: short stacking energy: -379.177 Base-Backbone interact. energy: 5.956 local terms energy: -517.044601 where: bonds (distance) C4'-P energy: -126.517 bonds (distance) P-C4' energy: -126.133 flat angles C4'-P-C4' energy: -146.887 flat angles P-C4'-P energy: -68.459 tors. eta vs tors. theta energy: -49.048 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: 9, replica: 7 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -962.213903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.213903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.213903 (E_RNA) where: Base-Base interactions energy: -473.092 where: short stacking energy: -283.203 Base-Backbone interact. energy: 1.127 local terms energy: -490.248951 where: bonds (distance) C4'-P energy: -123.667 bonds (distance) P-C4' energy: -141.960 flat angles C4'-P-C4' energy: -137.142 flat angles P-C4'-P energy: -66.060 tors. eta vs tors. theta energy: -21.420 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: 9 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -689.574637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.574637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.574637 (E_RNA) where: Base-Base interactions energy: -278.754 where: short stacking energy: -169.014 Base-Backbone interact. energy: 2.382 local terms energy: -413.202764 where: bonds (distance) C4'-P energy: -131.618 bonds (distance) P-C4' energy: -138.634 flat angles C4'-P-C4' energy: -99.958 flat angles P-C4'-P energy: -52.605 tors. eta vs tors. theta energy: 9.612 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: 1 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -2670.512975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.512975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.512975 (E_RNA) where: Base-Base interactions energy: -1865.459 where: short stacking energy: -783.952 Base-Backbone interact. energy: -2.153 local terms energy: -802.900787 where: bonds (distance) C4'-P energy: -154.281 bonds (distance) P-C4' energy: -154.520 flat angles C4'-P-C4' energy: -170.006 flat angles P-C4'-P energy: -108.605 tors. eta vs tors. theta energy: -215.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -2519.528000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.528000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.528000 (E_RNA) where: Base-Base interactions energy: -1731.704 where: short stacking energy: -720.337 Base-Backbone interact. energy: -6.664 local terms energy: -781.159652 where: bonds (distance) C4'-P energy: -160.266 bonds (distance) P-C4' energy: -164.142 flat angles C4'-P-C4' energy: -166.172 flat angles P-C4'-P energy: -107.570 tors. eta vs tors. theta energy: -183.009 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: 3, replica: 4 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -2375.096862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.096862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.096862 (E_RNA) where: Base-Base interactions energy: -1592.414 where: short stacking energy: -732.436 Base-Backbone interact. energy: -2.003 local terms energy: -780.680024 where: bonds (distance) C4'-P energy: -136.049 bonds (distance) P-C4' energy: -146.427 flat angles C4'-P-C4' energy: -169.778 flat angles P-C4'-P energy: -114.379 tors. eta vs tors. theta energy: -214.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -2258.406734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.406734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.406734 (E_RNA) where: Base-Base interactions energy: -1481.214 where: short stacking energy: -679.689 Base-Backbone interact. energy: 1.315 local terms energy: -778.508217 where: bonds (distance) C4'-P energy: -149.894 bonds (distance) P-C4' energy: -147.436 flat angles C4'-P-C4' energy: -162.943 flat angles P-C4'-P energy: -120.318 tors. eta vs tors. theta energy: -197.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -2025.274637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.274637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.274637 (E_RNA) where: Base-Base interactions energy: -1281.704 where: short stacking energy: -565.650 Base-Backbone interact. energy: 0.535 local terms energy: -744.105940 where: bonds (distance) C4'-P energy: -152.556 bonds (distance) P-C4' energy: -160.996 flat angles C4'-P-C4' energy: -163.270 flat angles P-C4'-P energy: -108.280 tors. eta vs tors. theta energy: -159.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1687.936741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.936741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.936741 (E_RNA) where: Base-Base interactions energy: -1096.861 where: short stacking energy: -490.201 Base-Backbone interact. energy: 4.928 local terms energy: -596.003880 where: bonds (distance) C4'-P energy: -136.304 bonds (distance) P-C4' energy: -139.816 flat angles C4'-P-C4' energy: -138.920 flat angles P-C4'-P energy: -90.475 tors. eta vs tors. theta energy: -90.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1419.540902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.540902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.540902 (E_RNA) where: Base-Base interactions energy: -846.423 where: short stacking energy: -384.394 Base-Backbone interact. energy: 3.254 local terms energy: -576.371566 where: bonds (distance) C4'-P energy: -151.160 bonds (distance) P-C4' energy: -146.318 flat angles C4'-P-C4' energy: -130.082 flat angles P-C4'-P energy: -83.265 tors. eta vs tors. theta energy: -65.546 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: 8, replica: 5 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1376.464833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.464833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.464833 (E_RNA) where: Base-Base interactions energy: -829.747 where: short stacking energy: -397.095 Base-Backbone interact. energy: 1.878 local terms energy: -548.596769 where: bonds (distance) C4'-P energy: -113.308 bonds (distance) P-C4' energy: -131.999 flat angles C4'-P-C4' energy: -146.398 flat angles P-C4'-P energy: -88.998 tors. eta vs tors. theta energy: -67.893 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: 9, replica: 7 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -968.690101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.690101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.690101 (E_RNA) where: Base-Base interactions energy: -490.833 where: short stacking energy: -289.264 Base-Backbone interact. energy: 1.424 local terms energy: -479.280531 where: bonds (distance) C4'-P energy: -125.677 bonds (distance) P-C4' energy: -141.285 flat angles C4'-P-C4' energy: -122.682 flat angles P-C4'-P energy: -56.567 tors. eta vs tors. theta energy: -33.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -600.831390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.831390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.831390 (E_RNA) where: Base-Base interactions energy: -217.876 where: short stacking energy: -171.980 Base-Backbone interact. energy: 6.361 local terms energy: -389.316511 where: bonds (distance) C4'-P energy: -130.907 bonds (distance) P-C4' energy: -108.224 flat angles C4'-P-C4' energy: -123.918 flat angles P-C4'-P energy: -77.301 tors. eta vs tors. theta energy: 51.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -2621.100041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.100041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.100041 (E_RNA) where: Base-Base interactions energy: -1824.366 where: short stacking energy: -752.128 Base-Backbone interact. energy: -1.295 local terms energy: -795.438575 where: bonds (distance) C4'-P energy: -162.574 bonds (distance) P-C4' energy: -160.767 flat angles C4'-P-C4' energy: -154.394 flat angles P-C4'-P energy: -112.684 tors. eta vs tors. theta energy: -205.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2519.245608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.245608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.245608 (E_RNA) where: Base-Base interactions energy: -1727.083 where: short stacking energy: -712.222 Base-Backbone interact. energy: -7.061 local terms energy: -785.100875 where: bonds (distance) C4'-P energy: -140.640 bonds (distance) P-C4' energy: -153.851 flat angles C4'-P-C4' energy: -169.289 flat angles P-C4'-P energy: -113.183 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: 3, replica: 4 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -2341.030389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.030389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.030389 (E_RNA) where: Base-Base interactions energy: -1553.871 where: short stacking energy: -661.081 Base-Backbone interact. energy: 0.769 local terms energy: -787.928915 where: bonds (distance) C4'-P energy: -151.352 bonds (distance) P-C4' energy: -162.896 flat angles C4'-P-C4' energy: -159.422 flat angles P-C4'-P energy: -123.388 tors. eta vs tors. theta energy: -190.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -2261.138741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.138741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.138741 (E_RNA) where: Base-Base interactions energy: -1500.803 where: short stacking energy: -650.934 Base-Backbone interact. energy: -3.612 local terms energy: -756.723916 where: bonds (distance) C4'-P energy: -154.850 bonds (distance) P-C4' energy: -141.440 flat angles C4'-P-C4' energy: -169.983 flat angles P-C4'-P energy: -97.826 tors. eta vs tors. theta energy: -192.625 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: 10 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1980.291628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.291628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.291628 (E_RNA) where: Base-Base interactions energy: -1284.429 where: short stacking energy: -589.140 Base-Backbone interact. energy: -1.169 local terms energy: -694.693747 where: bonds (distance) C4'-P energy: -141.548 bonds (distance) P-C4' energy: -139.924 flat angles C4'-P-C4' energy: -161.992 flat angles P-C4'-P energy: -100.810 tors. eta vs tors. theta energy: -150.419 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: 3 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1749.537556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.537556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.537556 (E_RNA) where: Base-Base interactions energy: -1137.160 where: short stacking energy: -499.262 Base-Backbone interact. energy: 2.588 local terms energy: -614.965122 where: bonds (distance) C4'-P energy: -125.150 bonds (distance) P-C4' energy: -149.368 flat angles C4'-P-C4' energy: -157.892 flat angles P-C4'-P energy: -86.425 tors. eta vs tors. theta energy: -96.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1459.108855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.108855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.108855 (E_RNA) where: Base-Base interactions energy: -898.703 where: short stacking energy: -427.013 Base-Backbone interact. energy: 1.964 local terms energy: -562.370257 where: bonds (distance) C4'-P energy: -143.231 bonds (distance) P-C4' energy: -132.744 flat angles C4'-P-C4' energy: -141.006 flat angles P-C4'-P energy: -80.421 tors. eta vs tors. theta energy: -64.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1432.180452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.180452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.180452 (E_RNA) where: Base-Base interactions energy: -876.483 where: short stacking energy: -404.860 Base-Backbone interact. energy: -0.753 local terms energy: -554.944861 where: bonds (distance) C4'-P energy: -131.133 bonds (distance) P-C4' energy: -131.962 flat angles C4'-P-C4' energy: -145.881 flat angles P-C4'-P energy: -83.401 tors. eta vs tors. theta energy: -62.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -870.035707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.035707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.035707 (E_RNA) where: Base-Base interactions energy: -438.480 where: short stacking energy: -273.021 Base-Backbone interact. energy: 4.526 local terms energy: -436.081444 where: bonds (distance) C4'-P energy: -125.569 bonds (distance) P-C4' energy: -129.127 flat angles C4'-P-C4' energy: -117.103 flat angles P-C4'-P energy: -68.454 tors. eta vs tors. theta energy: 4.171 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: 9 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -611.593447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.593447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.593447 (E_RNA) where: Base-Base interactions energy: -217.516 where: short stacking energy: -154.345 Base-Backbone interact. energy: -2.713 local terms energy: -391.364422 where: bonds (distance) C4'-P energy: -118.443 bonds (distance) P-C4' energy: -144.073 flat angles C4'-P-C4' energy: -102.916 flat angles P-C4'-P energy: -62.665 tors. eta vs tors. theta energy: 36.733 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: 1, replica: 1 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -2666.266976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.266976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.266976 (E_RNA) where: Base-Base interactions energy: -1836.956 where: short stacking energy: -767.181 Base-Backbone interact. energy: 0.864 local terms energy: -830.174964 where: bonds (distance) C4'-P energy: -156.433 bonds (distance) P-C4' energy: -161.538 flat angles C4'-P-C4' energy: -178.130 flat angles P-C4'-P energy: -111.672 tors. eta vs tors. theta energy: -222.402 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: 2, replica: 8 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -2512.963475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.963475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.963475 (E_RNA) where: Base-Base interactions energy: -1730.462 where: short stacking energy: -728.897 Base-Backbone interact. energy: -3.097 local terms energy: -779.405160 where: bonds (distance) C4'-P energy: -150.955 bonds (distance) P-C4' energy: -158.176 flat angles C4'-P-C4' energy: -165.762 flat angles P-C4'-P energy: -119.898 tors. eta vs tors. theta energy: -184.615 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: 4 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -2408.956224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.956224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.956224 (E_RNA) where: Base-Base interactions energy: -1624.905 where: short stacking energy: -711.971 Base-Backbone interact. energy: -1.541 local terms energy: -782.510418 where: bonds (distance) C4'-P energy: -134.387 bonds (distance) P-C4' energy: -157.661 flat angles C4'-P-C4' energy: -173.702 flat angles P-C4'-P energy: -115.760 tors. eta vs tors. theta energy: -201.000 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: 2 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -2283.851357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.851357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.851357 (E_RNA) where: Base-Base interactions energy: -1547.872 where: short stacking energy: -686.322 Base-Backbone interact. energy: -1.175 local terms energy: -734.804721 where: bonds (distance) C4'-P energy: -137.411 bonds (distance) P-C4' energy: -150.271 flat angles C4'-P-C4' energy: -153.502 flat angles P-C4'-P energy: -105.733 tors. eta vs tors. theta energy: -187.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -2032.284048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.284048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.284048 (E_RNA) where: Base-Base interactions energy: -1362.196 where: short stacking energy: -604.255 Base-Backbone interact. energy: -2.579 local terms energy: -667.508954 where: bonds (distance) C4'-P energy: -136.351 bonds (distance) P-C4' energy: -144.750 flat angles C4'-P-C4' energy: -137.585 flat angles P-C4'-P energy: -92.306 tors. eta vs tors. theta energy: -156.518 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: 3 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1771.271178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.271178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.271178 (E_RNA) where: Base-Base interactions energy: -1133.252 where: short stacking energy: -541.491 Base-Backbone interact. energy: -0.483 local terms energy: -637.535935 where: bonds (distance) C4'-P energy: -121.649 bonds (distance) P-C4' energy: -160.720 flat angles C4'-P-C4' energy: -148.928 flat angles P-C4'-P energy: -95.912 tors. eta vs tors. theta energy: -110.327 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: 5 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1509.697476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.697476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.697476 (E_RNA) where: Base-Base interactions energy: -960.454 where: short stacking energy: -465.846 Base-Backbone interact. energy: 6.979 local terms energy: -556.221928 where: bonds (distance) C4'-P energy: -122.254 bonds (distance) P-C4' energy: -135.602 flat angles C4'-P-C4' energy: -134.292 flat angles P-C4'-P energy: -76.022 tors. eta vs tors. theta energy: -88.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1394.609063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.609063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.609063 (E_RNA) where: Base-Base interactions energy: -846.998 where: short stacking energy: -411.076 Base-Backbone interact. energy: -2.143 local terms energy: -545.468518 where: bonds (distance) C4'-P energy: -117.171 bonds (distance) P-C4' energy: -139.238 flat angles C4'-P-C4' energy: -138.982 flat angles P-C4'-P energy: -78.189 tors. eta vs tors. theta energy: -71.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -900.868440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.868440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.868440 (E_RNA) where: Base-Base interactions energy: -462.383 where: short stacking energy: -271.653 Base-Backbone interact. energy: 1.324 local terms energy: -439.809377 where: bonds (distance) C4'-P energy: -119.643 bonds (distance) P-C4' energy: -121.771 flat angles C4'-P-C4' energy: -107.446 flat angles P-C4'-P energy: -85.734 tors. eta vs tors. theta energy: -5.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -601.088822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.088822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.088822 (E_RNA) where: Base-Base interactions energy: -206.110 where: short stacking energy: -147.667 Base-Backbone interact. energy: -0.898 local terms energy: -394.081210 where: bonds (distance) C4'-P energy: -135.882 bonds (distance) P-C4' energy: -124.642 flat angles C4'-P-C4' energy: -106.751 flat angles P-C4'-P energy: -84.982 tors. eta vs tors. theta energy: 58.176 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: 1, replica: 1 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -2628.988983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.988983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.988983 (E_RNA) where: Base-Base interactions energy: -1822.135 where: short stacking energy: -751.636 Base-Backbone interact. energy: -3.405 local terms energy: -803.448874 where: bonds (distance) C4'-P energy: -146.810 bonds (distance) P-C4' energy: -153.768 flat angles C4'-P-C4' energy: -181.318 flat angles P-C4'-P energy: -111.846 tors. eta vs tors. theta energy: -209.708 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: 8 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -2528.228286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.228286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.228286 (E_RNA) where: Base-Base interactions energy: -1737.294 where: short stacking energy: -734.910 Base-Backbone interact. energy: -1.645 local terms energy: -789.289153 where: bonds (distance) C4'-P energy: -150.738 bonds (distance) P-C4' energy: -151.656 flat angles C4'-P-C4' energy: -169.432 flat angles P-C4'-P energy: -119.699 tors. eta vs tors. theta energy: -197.764 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: 4 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -2400.735395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.735395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.735395 (E_RNA) where: Base-Base interactions energy: -1598.685 where: short stacking energy: -685.915 Base-Backbone interact. energy: -2.611 local terms energy: -799.439026 where: bonds (distance) C4'-P energy: -161.176 bonds (distance) P-C4' energy: -143.576 flat angles C4'-P-C4' energy: -173.147 flat angles P-C4'-P energy: -118.490 tors. eta vs tors. theta energy: -203.050 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: 4, replica: 2 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -2293.376580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.376580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.376580 (E_RNA) where: Base-Base interactions energy: -1547.067 where: short stacking energy: -682.369 Base-Backbone interact. energy: -4.301 local terms energy: -742.008724 where: bonds (distance) C4'-P energy: -148.018 bonds (distance) P-C4' energy: -144.674 flat angles C4'-P-C4' energy: -165.980 flat angles P-C4'-P energy: -98.587 tors. eta vs tors. theta energy: -184.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1986.022340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.022340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.022340 (E_RNA) where: Base-Base interactions energy: -1287.883 where: short stacking energy: -574.904 Base-Backbone interact. energy: -3.142 local terms energy: -694.996450 where: bonds (distance) C4'-P energy: -143.765 bonds (distance) P-C4' energy: -153.819 flat angles C4'-P-C4' energy: -146.134 flat angles P-C4'-P energy: -101.568 tors. eta vs tors. theta energy: -149.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1779.820069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.820069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.820069 (E_RNA) where: Base-Base interactions energy: -1121.763 where: short stacking energy: -514.870 Base-Backbone interact. energy: -3.665 local terms energy: -654.392472 where: bonds (distance) C4'-P energy: -146.316 bonds (distance) P-C4' energy: -145.268 flat angles C4'-P-C4' energy: -152.308 flat angles P-C4'-P energy: -83.092 tors. eta vs tors. theta energy: -127.409 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: 5 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1463.993928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.993928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.993928 (E_RNA) where: Base-Base interactions energy: -915.841 where: short stacking energy: -400.785 Base-Backbone interact. energy: 0.562 local terms energy: -548.715064 where: bonds (distance) C4'-P energy: -119.991 bonds (distance) P-C4' energy: -153.450 flat angles C4'-P-C4' energy: -130.288 flat angles P-C4'-P energy: -81.325 tors. eta vs tors. theta energy: -63.661 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: 8, replica: 6 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1367.847197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.847197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.847197 (E_RNA) where: Base-Base interactions energy: -814.079 where: short stacking energy: -395.526 Base-Backbone interact. energy: -3.327 local terms energy: -550.442007 where: bonds (distance) C4'-P energy: -117.666 bonds (distance) P-C4' energy: -153.086 flat angles C4'-P-C4' energy: -134.235 flat angles P-C4'-P energy: -90.540 tors. eta vs tors. theta energy: -54.915 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: 7 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -960.294446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.294446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.294446 (E_RNA) where: Base-Base interactions energy: -486.064 where: short stacking energy: -280.022 Base-Backbone interact. energy: -1.020 local terms energy: -473.210482 where: bonds (distance) C4'-P energy: -132.213 bonds (distance) P-C4' energy: -140.016 flat angles C4'-P-C4' energy: -135.573 flat angles P-C4'-P energy: -57.548 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: 10, replica: 9 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -589.015305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.015305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.015305 (E_RNA) where: Base-Base interactions energy: -200.836 where: short stacking energy: -175.320 Base-Backbone interact. energy: -2.450 local terms energy: -385.729425 where: bonds (distance) C4'-P energy: -109.192 bonds (distance) P-C4' energy: -140.546 flat angles C4'-P-C4' energy: -115.260 flat angles P-C4'-P energy: -43.510 tors. eta vs tors. theta energy: 22.779 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: 1, replica: 1 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -2627.477401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.477401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.477401 (E_RNA) where: Base-Base interactions energy: -1791.012 where: short stacking energy: -745.151 Base-Backbone interact. energy: -6.624 local terms energy: -829.841211 where: bonds (distance) C4'-P energy: -162.188 bonds (distance) P-C4' energy: -166.918 flat angles C4'-P-C4' energy: -184.751 flat angles P-C4'-P energy: -113.324 tors. eta vs tors. theta energy: -202.660 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: 8 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -2526.297724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.297724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.297724 (E_RNA) where: Base-Base interactions energy: -1716.116 where: short stacking energy: -724.797 Base-Backbone interact. energy: -0.905 local terms energy: -809.277335 where: bonds (distance) C4'-P energy: -160.451 bonds (distance) P-C4' energy: -166.336 flat angles C4'-P-C4' energy: -176.587 flat angles P-C4'-P energy: -122.019 tors. eta vs tors. theta energy: -183.884 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: 3, replica: 4 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -2391.090970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.090970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.090970 (E_RNA) where: Base-Base interactions energy: -1611.400 where: short stacking energy: -667.607 Base-Backbone interact. energy: -4.716 local terms energy: -774.975655 where: bonds (distance) C4'-P energy: -155.864 bonds (distance) P-C4' energy: -148.576 flat angles C4'-P-C4' energy: -168.998 flat angles P-C4'-P energy: -117.607 tors. eta vs tors. theta energy: -183.932 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: 2 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -2320.498031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.498031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.498031 (E_RNA) where: Base-Base interactions energy: -1556.063 where: short stacking energy: -688.138 Base-Backbone interact. energy: -0.509 local terms energy: -763.926067 where: bonds (distance) C4'-P energy: -146.896 bonds (distance) P-C4' energy: -149.763 flat angles C4'-P-C4' energy: -172.998 flat angles P-C4'-P energy: -105.023 tors. eta vs tors. theta energy: -189.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -2000.966449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.966449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.966449 (E_RNA) where: Base-Base interactions energy: -1292.826 where: short stacking energy: -578.815 Base-Backbone interact. energy: 1.780 local terms energy: -709.920581 where: bonds (distance) C4'-P energy: -157.404 bonds (distance) P-C4' energy: -128.203 flat angles C4'-P-C4' energy: -156.357 flat angles P-C4'-P energy: -104.833 tors. eta vs tors. theta energy: -163.124 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: 6, replica: 3 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -1786.550580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.550580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.550580 (E_RNA) where: Base-Base interactions energy: -1155.774 where: short stacking energy: -495.568 Base-Backbone interact. energy: -1.898 local terms energy: -628.878258 where: bonds (distance) C4'-P energy: -134.380 bonds (distance) P-C4' energy: -126.345 flat angles C4'-P-C4' energy: -153.211 flat angles P-C4'-P energy: -101.306 tors. eta vs tors. theta energy: -113.637 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: 7, replica: 5 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1472.091543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.091543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.091543 (E_RNA) where: Base-Base interactions energy: -918.595 where: short stacking energy: -413.994 Base-Backbone interact. energy: -4.085 local terms energy: -549.410842 where: bonds (distance) C4'-P energy: -117.324 bonds (distance) P-C4' energy: -145.866 flat angles C4'-P-C4' energy: -128.002 flat angles P-C4'-P energy: -86.575 tors. eta vs tors. theta energy: -71.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1392.209607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.209607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.209607 (E_RNA) where: Base-Base interactions energy: -834.907 where: short stacking energy: -399.713 Base-Backbone interact. energy: -2.121 local terms energy: -555.181778 where: bonds (distance) C4'-P energy: -137.721 bonds (distance) P-C4' energy: -144.044 flat angles C4'-P-C4' energy: -111.120 flat angles P-C4'-P energy: -87.333 tors. eta vs tors. theta energy: -74.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -990.808853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.808853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.808853 (E_RNA) where: Base-Base interactions energy: -497.426 where: short stacking energy: -273.165 Base-Backbone interact. energy: 9.955 local terms energy: -503.337672 where: bonds (distance) C4'-P energy: -143.999 bonds (distance) P-C4' energy: -161.651 flat angles C4'-P-C4' energy: -134.100 flat angles P-C4'-P energy: -49.654 tors. eta vs tors. theta energy: -13.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -584.135495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.135495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.135495 (E_RNA) where: Base-Base interactions energy: -183.089 where: short stacking energy: -153.710 Base-Backbone interact. energy: -2.631 local terms energy: -398.415445 where: bonds (distance) C4'-P energy: -131.314 bonds (distance) P-C4' energy: -145.220 flat angles C4'-P-C4' energy: -87.997 flat angles P-C4'-P energy: -52.532 tors. eta vs tors. theta energy: 18.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -2655.237882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.237882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.237882 (E_RNA) where: Base-Base interactions energy: -1814.624 where: short stacking energy: -761.324 Base-Backbone interact. energy: -6.147 local terms energy: -834.466910 where: bonds (distance) C4'-P energy: -172.331 bonds (distance) P-C4' energy: -157.009 flat angles C4'-P-C4' energy: -181.458 flat angles P-C4'-P energy: -107.450 tors. eta vs tors. theta energy: -216.218 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: 8 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -2521.724104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.724104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.724104 (E_RNA) where: Base-Base interactions energy: -1723.607 where: short stacking energy: -738.062 Base-Backbone interact. energy: -5.060 local terms energy: -793.056414 where: bonds (distance) C4'-P energy: -136.708 bonds (distance) P-C4' energy: -154.694 flat angles C4'-P-C4' energy: -182.109 flat angles P-C4'-P energy: -120.708 tors. eta vs tors. theta energy: -198.837 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: 4 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -2374.763441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.763441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.763441 (E_RNA) where: Base-Base interactions energy: -1582.247 where: short stacking energy: -670.185 Base-Backbone interact. energy: -5.787 local terms energy: -786.729863 where: bonds (distance) C4'-P energy: -141.999 bonds (distance) P-C4' energy: -163.255 flat angles C4'-P-C4' energy: -181.413 flat angles P-C4'-P energy: -108.362 tors. eta vs tors. theta energy: -191.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -2365.251701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.251701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.251701 (E_RNA) where: Base-Base interactions energy: -1626.561 where: short stacking energy: -687.542 Base-Backbone interact. energy: -3.192 local terms energy: -735.499046 where: bonds (distance) C4'-P energy: -151.559 bonds (distance) P-C4' energy: -148.500 flat angles C4'-P-C4' energy: -172.906 flat angles P-C4'-P energy: -79.273 tors. eta vs tors. theta energy: -183.262 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: 10 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1993.292219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.292219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.292219 (E_RNA) where: Base-Base interactions energy: -1288.362 where: short stacking energy: -596.836 Base-Backbone interact. energy: -3.604 local terms energy: -701.325994 where: bonds (distance) C4'-P energy: -152.658 bonds (distance) P-C4' energy: -139.291 flat angles C4'-P-C4' energy: -157.394 flat angles P-C4'-P energy: -95.842 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: 6, replica: 3 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1697.098657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.098657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.098657 (E_RNA) where: Base-Base interactions energy: -1090.359 where: short stacking energy: -498.562 Base-Backbone interact. energy: -1.965 local terms energy: -604.774258 where: bonds (distance) C4'-P energy: -142.501 bonds (distance) P-C4' energy: -135.946 flat angles C4'-P-C4' energy: -150.877 flat angles P-C4'-P energy: -100.398 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: 7, replica: 6 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1470.958709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.958709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.958709 (E_RNA) where: Base-Base interactions energy: -924.624 where: short stacking energy: -434.402 Base-Backbone interact. energy: -2.199 local terms energy: -544.136297 where: bonds (distance) C4'-P energy: -131.127 bonds (distance) P-C4' energy: -134.175 flat angles C4'-P-C4' energy: -137.369 flat angles P-C4'-P energy: -65.596 tors. eta vs tors. theta energy: -75.869 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: 8, replica: 5 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1345.091723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.091723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.091723 (E_RNA) where: Base-Base interactions energy: -816.511 where: short stacking energy: -396.724 Base-Backbone interact. energy: -0.321 local terms energy: -528.259726 where: bonds (distance) C4'-P energy: -105.666 bonds (distance) P-C4' energy: -152.156 flat angles C4'-P-C4' energy: -128.983 flat angles P-C4'-P energy: -74.564 tors. eta vs tors. theta energy: -66.890 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: 7 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -938.146704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.146704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.146704 (E_RNA) where: Base-Base interactions energy: -524.698 where: short stacking energy: -270.739 Base-Backbone interact. energy: 1.091 local terms energy: -414.540385 where: bonds (distance) C4'-P energy: -125.517 bonds (distance) P-C4' energy: -119.067 flat angles C4'-P-C4' energy: -125.898 flat angles P-C4'-P energy: -44.437 tors. eta vs tors. theta energy: 0.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -613.474186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.474186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.474186 (E_RNA) where: Base-Base interactions energy: -227.725 where: short stacking energy: -157.289 Base-Backbone interact. energy: -2.296 local terms energy: -383.452633 where: bonds (distance) C4'-P energy: -120.490 bonds (distance) P-C4' energy: -139.606 flat angles C4'-P-C4' energy: -104.052 flat angles P-C4'-P energy: -71.408 tors. eta vs tors. theta energy: 52.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -2672.713786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.713786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.713786 (E_RNA) where: Base-Base interactions energy: -1830.975 where: short stacking energy: -757.657 Base-Backbone interact. energy: -4.042 local terms energy: -837.696808 where: bonds (distance) C4'-P energy: -162.035 bonds (distance) P-C4' energy: -171.037 flat angles C4'-P-C4' energy: -169.317 flat angles P-C4'-P energy: -114.873 tors. eta vs tors. theta energy: -220.436 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: 8 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -2546.286452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.286452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.286452 (E_RNA) where: Base-Base interactions energy: -1732.476 where: short stacking energy: -719.682 Base-Backbone interact. energy: -5.745 local terms energy: -808.064930 where: bonds (distance) C4'-P energy: -160.011 bonds (distance) P-C4' energy: -167.293 flat angles C4'-P-C4' energy: -170.936 flat angles P-C4'-P energy: -109.704 tors. eta vs tors. theta energy: -200.120 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: 4 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -2396.376922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.376922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.376922 (E_RNA) where: Base-Base interactions energy: -1596.854 where: short stacking energy: -668.054 Base-Backbone interact. energy: -5.518 local terms energy: -794.004625 where: bonds (distance) C4'-P energy: -158.454 bonds (distance) P-C4' energy: -153.883 flat angles C4'-P-C4' energy: -175.088 flat angles P-C4'-P energy: -120.495 tors. eta vs tors. theta energy: -186.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -2306.594554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.594554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.594554 (E_RNA) where: Base-Base interactions energy: -1566.124 where: short stacking energy: -680.172 Base-Backbone interact. energy: 0.434 local terms energy: -740.904274 where: bonds (distance) C4'-P energy: -151.864 bonds (distance) P-C4' energy: -142.674 flat angles C4'-P-C4' energy: -155.797 flat angles P-C4'-P energy: -108.692 tors. eta vs tors. theta energy: -181.878 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: 5, replica: 10 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -1998.990359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.990359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.990359 (E_RNA) where: Base-Base interactions energy: -1355.526 where: short stacking energy: -571.959 Base-Backbone interact. energy: -1.730 local terms energy: -641.734169 where: bonds (distance) C4'-P energy: -121.458 bonds (distance) P-C4' energy: -137.091 flat angles C4'-P-C4' energy: -146.270 flat angles P-C4'-P energy: -96.315 tors. eta vs tors. theta energy: -140.600 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: 6, replica: 3 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1627.024413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.024413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.024413 (E_RNA) where: Base-Base interactions energy: -986.044 where: short stacking energy: -459.369 Base-Backbone interact. energy: -5.278 local terms energy: -635.702508 where: bonds (distance) C4'-P energy: -152.399 bonds (distance) P-C4' energy: -126.037 flat angles C4'-P-C4' energy: -155.921 flat angles P-C4'-P energy: -102.397 tors. eta vs tors. theta energy: -98.948 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: 137 Temperature: 1.200000 Total energy: -1574.473384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.473384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.473384 (E_RNA) where: Base-Base interactions energy: -974.577 where: short stacking energy: -464.494 Base-Backbone interact. energy: -0.559 local terms energy: -599.337292 where: bonds (distance) C4'-P energy: -144.424 bonds (distance) P-C4' energy: -153.615 flat angles C4'-P-C4' energy: -125.727 flat angles P-C4'-P energy: -88.269 tors. eta vs tors. theta energy: -87.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1433.613154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.613154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.613154 (E_RNA) where: Base-Base interactions energy: -899.176 where: short stacking energy: -419.241 Base-Backbone interact. energy: 2.184 local terms energy: -536.621017 where: bonds (distance) C4'-P energy: -119.177 bonds (distance) P-C4' energy: -132.813 flat angles C4'-P-C4' energy: -135.856 flat angles P-C4'-P energy: -83.506 tors. eta vs tors. theta energy: -65.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -875.462690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.462690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.462690 (E_RNA) where: Base-Base interactions energy: -435.884 where: short stacking energy: -238.912 Base-Backbone interact. energy: 2.150 local terms energy: -441.728729 where: bonds (distance) C4'-P energy: -136.400 bonds (distance) P-C4' energy: -132.494 flat angles C4'-P-C4' energy: -130.542 flat angles P-C4'-P energy: -54.368 tors. eta vs tors. theta energy: 12.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -627.998349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.998349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.998349 (E_RNA) where: Base-Base interactions energy: -216.460 where: short stacking energy: -189.675 Base-Backbone interact. energy: 2.309 local terms energy: -413.846910 where: bonds (distance) C4'-P energy: -110.857 bonds (distance) P-C4' energy: -139.330 flat angles C4'-P-C4' energy: -108.290 flat angles P-C4'-P energy: -64.037 tors. eta vs tors. theta energy: 8.667 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: 1 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -2622.422213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.422213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.422213 (E_RNA) where: Base-Base interactions energy: -1786.675 where: short stacking energy: -752.567 Base-Backbone interact. energy: -2.408 local terms energy: -833.339893 where: bonds (distance) C4'-P energy: -151.067 bonds (distance) P-C4' energy: -167.579 flat angles C4'-P-C4' energy: -172.533 flat angles P-C4'-P energy: -135.703 tors. eta vs tors. theta energy: -206.457 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: 2, replica: 8 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2534.241219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.241219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.241219 (E_RNA) where: Base-Base interactions energy: -1722.025 where: short stacking energy: -729.900 Base-Backbone interact. energy: -4.455 local terms energy: -807.760810 where: bonds (distance) C4'-P energy: -153.995 bonds (distance) P-C4' energy: -145.721 flat angles C4'-P-C4' energy: -181.058 flat angles P-C4'-P energy: -114.775 tors. eta vs tors. theta energy: -212.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -2402.337806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.337806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.337806 (E_RNA) where: Base-Base interactions energy: -1634.463 where: short stacking energy: -682.287 Base-Backbone interact. energy: 1.634 local terms energy: -769.508695 where: bonds (distance) C4'-P energy: -141.736 bonds (distance) P-C4' energy: -167.330 flat angles C4'-P-C4' energy: -168.881 flat angles P-C4'-P energy: -101.432 tors. eta vs tors. theta energy: -190.130 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: 2 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -2344.938639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.938639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.938639 (E_RNA) where: Base-Base interactions energy: -1566.384 where: short stacking energy: -673.121 Base-Backbone interact. energy: -1.830 local terms energy: -776.724617 where: bonds (distance) C4'-P energy: -139.501 bonds (distance) P-C4' energy: -156.146 flat angles C4'-P-C4' energy: -182.013 flat angles P-C4'-P energy: -115.378 tors. eta vs tors. theta energy: -183.686 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: 5, replica: 10 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -1986.883046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.883046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.883046 (E_RNA) where: Base-Base interactions energy: -1286.381 where: short stacking energy: -590.574 Base-Backbone interact. energy: -0.317 local terms energy: -700.185301 where: bonds (distance) C4'-P energy: -143.161 bonds (distance) P-C4' energy: -152.612 flat angles C4'-P-C4' energy: -154.008 flat angles P-C4'-P energy: -106.519 tors. eta vs tors. theta energy: -143.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1653.920976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.920976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.920976 (E_RNA) where: Base-Base interactions energy: -1055.797 where: short stacking energy: -463.193 Base-Backbone interact. energy: 4.667 local terms energy: -602.791102 where: bonds (distance) C4'-P energy: -129.919 bonds (distance) P-C4' energy: -129.162 flat angles C4'-P-C4' energy: -158.347 flat angles P-C4'-P energy: -84.018 tors. eta vs tors. theta energy: -101.345 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: 7, replica: 6 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1541.688595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.688595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.688595 (E_RNA) where: Base-Base interactions energy: -977.723 where: short stacking energy: -437.557 Base-Backbone interact. energy: 5.930 local terms energy: -569.896264 where: bonds (distance) C4'-P energy: -139.658 bonds (distance) P-C4' energy: -129.113 flat angles C4'-P-C4' energy: -149.122 flat angles P-C4'-P energy: -70.154 tors. eta vs tors. theta energy: -81.850 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: 5 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1348.324327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.324327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.324327 (E_RNA) where: Base-Base interactions energy: -842.620 where: short stacking energy: -396.347 Base-Backbone interact. energy: 2.958 local terms energy: -508.662101 where: bonds (distance) C4'-P energy: -128.510 bonds (distance) P-C4' energy: -110.411 flat angles C4'-P-C4' energy: -129.077 flat angles P-C4'-P energy: -98.587 tors. eta vs tors. theta energy: -42.076 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: 9, replica: 7 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -877.082578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.082578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.082578 (E_RNA) where: Base-Base interactions energy: -420.787 where: short stacking energy: -246.793 Base-Backbone interact. energy: 0.710 local terms energy: -457.005850 where: bonds (distance) C4'-P energy: -130.979 bonds (distance) P-C4' energy: -148.021 flat angles C4'-P-C4' energy: -105.682 flat angles P-C4'-P energy: -71.526 tors. eta vs tors. theta energy: -0.799 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: 9 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -611.385112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.385112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.385112 (E_RNA) where: Base-Base interactions energy: -202.135 where: short stacking energy: -162.125 Base-Backbone interact. energy: 3.207 local terms energy: -412.457381 where: bonds (distance) C4'-P energy: -131.535 bonds (distance) P-C4' energy: -146.772 flat angles C4'-P-C4' energy: -112.449 flat angles P-C4'-P energy: -47.823 tors. eta vs tors. theta energy: 26.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -2590.038827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.038827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.038827 (E_RNA) where: Base-Base interactions energy: -1772.606 where: short stacking energy: -717.178 Base-Backbone interact. energy: -1.555 local terms energy: -815.877710 where: bonds (distance) C4'-P energy: -163.280 bonds (distance) P-C4' energy: -169.689 flat angles C4'-P-C4' energy: -162.654 flat angles P-C4'-P energy: -125.072 tors. eta vs tors. theta energy: -195.183 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: 2, replica: 8 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2503.574660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.574660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.574660 (E_RNA) where: Base-Base interactions energy: -1681.069 where: short stacking energy: -720.876 Base-Backbone interact. energy: -2.420 local terms energy: -820.085646 where: bonds (distance) C4'-P energy: -155.434 bonds (distance) P-C4' energy: -144.549 flat angles C4'-P-C4' energy: -179.066 flat angles P-C4'-P energy: -131.465 tors. eta vs tors. theta energy: -209.572 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: 3, replica: 4 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -2372.392379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.392379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.392379 (E_RNA) where: Base-Base interactions energy: -1573.005 where: short stacking energy: -682.354 Base-Backbone interact. energy: -3.211 local terms energy: -796.176707 where: bonds (distance) C4'-P energy: -156.827 bonds (distance) P-C4' energy: -151.380 flat angles C4'-P-C4' energy: -182.012 flat angles P-C4'-P energy: -112.868 tors. eta vs tors. theta energy: -193.090 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: 2 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -2281.825191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.825191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.825191 (E_RNA) where: Base-Base interactions energy: -1538.716 where: short stacking energy: -686.140 Base-Backbone interact. energy: -5.818 local terms energy: -737.290787 where: bonds (distance) C4'-P energy: -139.154 bonds (distance) P-C4' energy: -139.090 flat angles C4'-P-C4' energy: -159.781 flat angles P-C4'-P energy: -105.221 tors. eta vs tors. theta energy: -194.045 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: 5, replica: 10 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1941.403428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.403428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.403428 (E_RNA) where: Base-Base interactions energy: -1254.963 where: short stacking energy: -560.304 Base-Backbone interact. energy: 0.845 local terms energy: -687.285481 where: bonds (distance) C4'-P energy: -143.333 bonds (distance) P-C4' energy: -132.700 flat angles C4'-P-C4' energy: -168.637 flat angles P-C4'-P energy: -88.308 tors. eta vs tors. theta energy: -154.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1626.990250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.990250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.990250 (E_RNA) where: Base-Base interactions energy: -1006.689 where: short stacking energy: -472.529 Base-Backbone interact. energy: -3.404 local terms energy: -616.896456 where: bonds (distance) C4'-P energy: -131.806 bonds (distance) P-C4' energy: -136.017 flat angles C4'-P-C4' energy: -154.068 flat angles P-C4'-P energy: -99.091 tors. eta vs tors. theta energy: -95.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1618.561092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.561092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.561092 (E_RNA) where: Base-Base interactions energy: -1015.376 where: short stacking energy: -436.432 Base-Backbone interact. energy: 4.521 local terms energy: -607.705594 where: bonds (distance) C4'-P energy: -140.643 bonds (distance) P-C4' energy: -143.804 flat angles C4'-P-C4' energy: -130.416 flat angles P-C4'-P energy: -96.278 tors. eta vs tors. theta energy: -96.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1372.510444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.510444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.510444 (E_RNA) where: Base-Base interactions energy: -859.024 where: short stacking energy: -403.204 Base-Backbone interact. energy: -2.827 local terms energy: -510.660195 where: bonds (distance) C4'-P energy: -115.093 bonds (distance) P-C4' energy: -131.980 flat angles C4'-P-C4' energy: -117.878 flat angles P-C4'-P energy: -89.595 tors. eta vs tors. theta energy: -56.115 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: 9, replica: 7 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -951.911328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.911328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.911328 (E_RNA) where: Base-Base interactions energy: -454.886 where: short stacking energy: -251.835 Base-Backbone interact. energy: -3.130 local terms energy: -493.894815 where: bonds (distance) C4'-P energy: -144.292 bonds (distance) P-C4' energy: -132.852 flat angles C4'-P-C4' energy: -147.953 flat angles P-C4'-P energy: -62.271 tors. eta vs tors. theta energy: -6.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -768.565232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.565232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.565232 (E_RNA) where: Base-Base interactions energy: -317.841 where: short stacking energy: -195.631 Base-Backbone interact. energy: -5.249 local terms energy: -445.475124 where: bonds (distance) C4'-P energy: -129.759 bonds (distance) P-C4' energy: -130.971 flat angles C4'-P-C4' energy: -122.767 flat angles P-C4'-P energy: -74.677 tors. eta vs tors. theta energy: 12.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -2584.651493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.651493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.651493 (E_RNA) where: Base-Base interactions energy: -1757.445 where: short stacking energy: -740.935 Base-Backbone interact. energy: -1.539 local terms energy: -825.667251 where: bonds (distance) C4'-P energy: -172.019 bonds (distance) P-C4' energy: -156.001 flat angles C4'-P-C4' energy: -180.642 flat angles P-C4'-P energy: -117.387 tors. eta vs tors. theta energy: -199.618 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: 2, replica: 8 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -2494.436254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.436254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.436254 (E_RNA) where: Base-Base interactions energy: -1684.279 where: short stacking energy: -691.561 Base-Backbone interact. energy: -3.237 local terms energy: -806.920891 where: bonds (distance) C4'-P energy: -164.530 bonds (distance) P-C4' energy: -154.610 flat angles C4'-P-C4' energy: -169.723 flat angles P-C4'-P energy: -113.960 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: 3, replica: 4 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -2382.339834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.339834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.339834 (E_RNA) where: Base-Base interactions energy: -1621.608 where: short stacking energy: -716.690 Base-Backbone interact. energy: -5.558 local terms energy: -755.173850 where: bonds (distance) C4'-P energy: -136.816 bonds (distance) P-C4' energy: -151.932 flat angles C4'-P-C4' energy: -171.130 flat angles P-C4'-P energy: -99.527 tors. eta vs tors. theta energy: -195.768 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: 2 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -2271.312214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.312214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.312214 (E_RNA) where: Base-Base interactions energy: -1505.083 where: short stacking energy: -648.082 Base-Backbone interact. energy: -0.619 local terms energy: -765.609926 where: bonds (distance) C4'-P energy: -158.546 bonds (distance) P-C4' energy: -149.343 flat angles C4'-P-C4' energy: -164.968 flat angles P-C4'-P energy: -114.537 tors. eta vs tors. theta energy: -178.216 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: 5, replica: 10 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -1944.052097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.052097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.052097 (E_RNA) where: Base-Base interactions energy: -1258.740 where: short stacking energy: -579.743 Base-Backbone interact. energy: 1.424 local terms energy: -686.735931 where: bonds (distance) C4'-P energy: -150.075 bonds (distance) P-C4' energy: -137.848 flat angles C4'-P-C4' energy: -159.869 flat angles P-C4'-P energy: -96.505 tors. eta vs tors. theta energy: -142.440 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: 6, replica: 6 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1657.243209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.243209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.243209 (E_RNA) where: Base-Base interactions energy: -1029.515 where: short stacking energy: -515.653 Base-Backbone interact. energy: -2.471 local terms energy: -625.257096 where: bonds (distance) C4'-P energy: -137.250 bonds (distance) P-C4' energy: -135.152 flat angles C4'-P-C4' energy: -149.931 flat angles P-C4'-P energy: -90.579 tors. eta vs tors. theta energy: -112.345 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: 7, replica: 3 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1600.119396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.119396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.119396 (E_RNA) where: Base-Base interactions energy: -1038.794 where: short stacking energy: -456.268 Base-Backbone interact. energy: 3.569 local terms energy: -564.894292 where: bonds (distance) C4'-P energy: -131.610 bonds (distance) P-C4' energy: -136.971 flat angles C4'-P-C4' energy: -125.592 flat angles P-C4'-P energy: -90.065 tors. eta vs tors. theta energy: -80.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1357.298256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.298256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.298256 (E_RNA) where: Base-Base interactions energy: -831.269 where: short stacking energy: -379.782 Base-Backbone interact. energy: 1.652 local terms energy: -527.680914 where: bonds (distance) C4'-P energy: -140.344 bonds (distance) P-C4' energy: -137.380 flat angles C4'-P-C4' energy: -128.381 flat angles P-C4'-P energy: -65.451 tors. eta vs tors. theta energy: -56.125 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: 7 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -902.897468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.897468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.897468 (E_RNA) where: Base-Base interactions energy: -455.591 where: short stacking energy: -275.567 Base-Backbone interact. energy: 0.892 local terms energy: -448.198003 where: bonds (distance) C4'-P energy: -142.959 bonds (distance) P-C4' energy: -122.196 flat angles C4'-P-C4' energy: -109.512 flat angles P-C4'-P energy: -71.487 tors. eta vs tors. theta energy: -2.044 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: 10, replica: 9 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -695.564657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.564657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.564657 (E_RNA) where: Base-Base interactions energy: -312.183 where: short stacking energy: -189.763 Base-Backbone interact. energy: 1.874 local terms energy: -385.255639 where: bonds (distance) C4'-P energy: -121.289 bonds (distance) P-C4' energy: -132.255 flat angles C4'-P-C4' energy: -89.048 flat angles P-C4'-P energy: -80.685 tors. eta vs tors. theta energy: 38.022 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: 1, replica: 1 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -2599.945883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.945883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.945883 (E_RNA) where: Base-Base interactions energy: -1775.886 where: short stacking energy: -734.953 Base-Backbone interact. energy: -1.809 local terms energy: -822.250231 where: bonds (distance) C4'-P energy: -164.572 bonds (distance) P-C4' energy: -161.579 flat angles C4'-P-C4' energy: -182.903 flat angles P-C4'-P energy: -110.182 tors. eta vs tors. theta energy: -203.014 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: 8 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -2517.239582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.239582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.239582 (E_RNA) where: Base-Base interactions energy: -1679.774 where: short stacking energy: -717.939 Base-Backbone interact. energy: -0.051 local terms energy: -837.414282 where: bonds (distance) C4'-P energy: -163.480 bonds (distance) P-C4' energy: -171.041 flat angles C4'-P-C4' energy: -171.868 flat angles P-C4'-P energy: -124.047 tors. eta vs tors. theta energy: -206.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -2371.324570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.324570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.324570 (E_RNA) where: Base-Base interactions energy: -1640.391 where: short stacking energy: -690.163 Base-Backbone interact. energy: -1.466 local terms energy: -729.466966 where: bonds (distance) C4'-P energy: -140.866 bonds (distance) P-C4' energy: -156.064 flat angles C4'-P-C4' energy: -150.211 flat angles P-C4'-P energy: -95.717 tors. eta vs tors. theta energy: -186.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -2266.720346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.720346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.720346 (E_RNA) where: Base-Base interactions energy: -1529.016 where: short stacking energy: -655.962 Base-Backbone interact. energy: -3.110 local terms energy: -734.594223 where: bonds (distance) C4'-P energy: -128.134 bonds (distance) P-C4' energy: -149.164 flat angles C4'-P-C4' energy: -172.272 flat angles P-C4'-P energy: -108.173 tors. eta vs tors. theta energy: -176.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -1937.031493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.031493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.031493 (E_RNA) where: Base-Base interactions energy: -1257.342 where: short stacking energy: -575.160 Base-Backbone interact. energy: 0.123 local terms energy: -679.811688 where: bonds (distance) C4'-P energy: -118.620 bonds (distance) P-C4' energy: -148.918 flat angles C4'-P-C4' energy: -153.336 flat angles P-C4'-P energy: -106.326 tors. eta vs tors. theta energy: -152.612 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: 6, replica: 6 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1693.305938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.305938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.305938 (E_RNA) where: Base-Base interactions energy: -1062.534 where: short stacking energy: -506.425 Base-Backbone interact. energy: 5.455 local terms energy: -636.226831 where: bonds (distance) C4'-P energy: -124.918 bonds (distance) P-C4' energy: -139.040 flat angles C4'-P-C4' energy: -137.080 flat angles P-C4'-P energy: -109.024 tors. eta vs tors. theta energy: -126.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1607.197963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.197963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.197963 (E_RNA) where: Base-Base interactions energy: -1042.528 where: short stacking energy: -458.005 Base-Backbone interact. energy: -4.608 local terms energy: -560.061131 where: bonds (distance) C4'-P energy: -114.469 bonds (distance) P-C4' energy: -134.688 flat angles C4'-P-C4' energy: -146.142 flat angles P-C4'-P energy: -69.128 tors. eta vs tors. theta energy: -95.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1228.388658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.388658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.388658 (E_RNA) where: Base-Base interactions energy: -698.963 where: short stacking energy: -349.312 Base-Backbone interact. energy: -1.465 local terms energy: -527.959899 where: bonds (distance) C4'-P energy: -143.964 bonds (distance) P-C4' energy: -121.299 flat angles C4'-P-C4' energy: -134.704 flat angles P-C4'-P energy: -78.234 tors. eta vs tors. theta energy: -49.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -905.260082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.260082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.260082 (E_RNA) where: Base-Base interactions energy: -440.880 where: short stacking energy: -224.443 Base-Backbone interact. energy: 0.427 local terms energy: -464.807143 where: bonds (distance) C4'-P energy: -135.365 bonds (distance) P-C4' energy: -142.202 flat angles C4'-P-C4' energy: -113.304 flat angles P-C4'-P energy: -71.068 tors. eta vs tors. theta energy: -2.869 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: 9 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -692.359426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.359426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.359426 (E_RNA) where: Base-Base interactions energy: -290.189 where: short stacking energy: -194.349 Base-Backbone interact. energy: 7.559 local terms energy: -409.729229 where: bonds (distance) C4'-P energy: -127.453 bonds (distance) P-C4' energy: -121.509 flat angles C4'-P-C4' energy: -110.838 flat angles P-C4'-P energy: -60.543 tors. eta vs tors. theta energy: 10.614 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: 1, replica: 1 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -2615.745868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.745868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.745868 (E_RNA) where: Base-Base interactions energy: -1774.453 where: short stacking energy: -750.548 Base-Backbone interact. energy: -2.702 local terms energy: -838.590398 where: bonds (distance) C4'-P energy: -161.201 bonds (distance) P-C4' energy: -159.447 flat angles C4'-P-C4' energy: -185.466 flat angles P-C4'-P energy: -118.507 tors. eta vs tors. theta energy: -213.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -2507.650017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.650017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.650017 (E_RNA) where: Base-Base interactions energy: -1695.358 where: short stacking energy: -706.380 Base-Backbone interact. energy: -5.668 local terms energy: -806.623875 where: bonds (distance) C4'-P energy: -147.638 bonds (distance) P-C4' energy: -156.178 flat angles C4'-P-C4' energy: -182.983 flat angles P-C4'-P energy: -114.970 tors. eta vs tors. theta energy: -204.855 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: 2 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -2460.928357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.928357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.928357 (E_RNA) where: Base-Base interactions energy: -1655.299 where: short stacking energy: -749.945 Base-Backbone interact. energy: 1.459 local terms energy: -807.088313 where: bonds (distance) C4'-P energy: -155.096 bonds (distance) P-C4' energy: -152.041 flat angles C4'-P-C4' energy: -172.132 flat angles P-C4'-P energy: -121.604 tors. eta vs tors. theta energy: -206.214 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: 4, replica: 4 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -2286.078059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.078059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.078059 (E_RNA) where: Base-Base interactions energy: -1540.669 where: short stacking energy: -681.827 Base-Backbone interact. energy: -4.408 local terms energy: -741.001628 where: bonds (distance) C4'-P energy: -152.186 bonds (distance) P-C4' energy: -147.677 flat angles C4'-P-C4' energy: -160.708 flat angles P-C4'-P energy: -100.350 tors. eta vs tors. theta energy: -180.081 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: 5, replica: 10 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -1913.055440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.055440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.055440 (E_RNA) where: Base-Base interactions energy: -1214.956 where: short stacking energy: -527.927 Base-Backbone interact. energy: -5.179 local terms energy: -692.920820 where: bonds (distance) C4'-P energy: -159.128 bonds (distance) P-C4' energy: -141.149 flat angles C4'-P-C4' energy: -159.322 flat angles P-C4'-P energy: -92.153 tors. eta vs tors. theta energy: -141.170 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: 6, replica: 6 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1655.825932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.825932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.825932 (E_RNA) where: Base-Base interactions energy: -1027.934 where: short stacking energy: -477.416 Base-Backbone interact. energy: 3.091 local terms energy: -630.982462 where: bonds (distance) C4'-P energy: -141.537 bonds (distance) P-C4' energy: -143.609 flat angles C4'-P-C4' energy: -150.820 flat angles P-C4'-P energy: -87.686 tors. eta vs tors. theta energy: -107.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1576.308394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.308394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.308394 (E_RNA) where: Base-Base interactions energy: -990.666 where: short stacking energy: -441.733 Base-Backbone interact. energy: 4.263 local terms energy: -589.905406 where: bonds (distance) C4'-P energy: -147.051 bonds (distance) P-C4' energy: -120.547 flat angles C4'-P-C4' energy: -135.621 flat angles P-C4'-P energy: -98.147 tors. eta vs tors. theta energy: -88.539 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: 8, replica: 5 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1197.506505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.506505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.506505 (E_RNA) where: Base-Base interactions energy: -689.974 where: short stacking energy: -347.386 Base-Backbone interact. energy: -4.118 local terms energy: -503.414438 where: bonds (distance) C4'-P energy: -100.110 bonds (distance) P-C4' energy: -136.122 flat angles C4'-P-C4' energy: -141.837 flat angles P-C4'-P energy: -68.751 tors. eta vs tors. theta energy: -56.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -948.506074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.506074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.506074 (E_RNA) where: Base-Base interactions energy: -462.128 where: short stacking energy: -258.131 Base-Backbone interact. energy: -4.359 local terms energy: -482.018849 where: bonds (distance) C4'-P energy: -123.275 bonds (distance) P-C4' energy: -138.389 flat angles C4'-P-C4' energy: -131.930 flat angles P-C4'-P energy: -81.058 tors. eta vs tors. theta energy: -7.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -739.558176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.558176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.558176 (E_RNA) where: Base-Base interactions energy: -324.448 where: short stacking energy: -215.882 Base-Backbone interact. energy: 6.775 local terms energy: -421.886064 where: bonds (distance) C4'-P energy: -122.978 bonds (distance) P-C4' energy: -126.497 flat angles C4'-P-C4' energy: -128.212 flat angles P-C4'-P energy: -56.264 tors. eta vs tors. theta energy: 12.066 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: 1, replica: 1 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -2588.365558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.365558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.365558 (E_RNA) where: Base-Base interactions energy: -1767.186 where: short stacking energy: -731.651 Base-Backbone interact. energy: -3.267 local terms energy: -817.912381 where: bonds (distance) C4'-P energy: -164.212 bonds (distance) P-C4' energy: -153.735 flat angles C4'-P-C4' energy: -185.915 flat angles P-C4'-P energy: -104.529 tors. eta vs tors. theta energy: -209.522 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: 8 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2500.841693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.841693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.841693 (E_RNA) where: Base-Base interactions energy: -1716.087 where: short stacking energy: -706.366 Base-Backbone interact. energy: -4.511 local terms energy: -780.243380 where: bonds (distance) C4'-P energy: -167.393 bonds (distance) P-C4' energy: -153.487 flat angles C4'-P-C4' energy: -159.788 flat angles P-C4'-P energy: -112.581 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: 3, replica: 2 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -2413.670208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.670208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.670208 (E_RNA) where: Base-Base interactions energy: -1611.811 where: short stacking energy: -719.583 Base-Backbone interact. energy: -1.556 local terms energy: -800.302529 where: bonds (distance) C4'-P energy: -151.215 bonds (distance) P-C4' energy: -159.439 flat angles C4'-P-C4' energy: -170.539 flat angles P-C4'-P energy: -123.083 tors. eta vs tors. theta energy: -196.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -2295.762672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.762672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.762672 (E_RNA) where: Base-Base interactions energy: -1587.020 where: short stacking energy: -653.235 Base-Backbone interact. energy: -4.244 local terms energy: -704.499389 where: bonds (distance) C4'-P energy: -135.000 bonds (distance) P-C4' energy: -143.453 flat angles C4'-P-C4' energy: -153.372 flat angles P-C4'-P energy: -95.709 tors. eta vs tors. theta energy: -176.966 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: 5, replica: 10 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -2001.405510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.405510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.405510 (E_RNA) where: Base-Base interactions energy: -1287.412 where: short stacking energy: -571.406 Base-Backbone interact. energy: -1.430 local terms energy: -712.564210 where: bonds (distance) C4'-P energy: -139.530 bonds (distance) P-C4' energy: -142.754 flat angles C4'-P-C4' energy: -163.910 flat angles P-C4'-P energy: -112.627 tors. eta vs tors. theta energy: -153.743 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: 6 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1602.150087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.150087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.150087 (E_RNA) where: Base-Base interactions energy: -1016.555 where: short stacking energy: -447.201 Base-Backbone interact. energy: -1.150 local terms energy: -584.444851 where: bonds (distance) C4'-P energy: -132.011 bonds (distance) P-C4' energy: -133.691 flat angles C4'-P-C4' energy: -135.948 flat angles P-C4'-P energy: -96.465 tors. eta vs tors. theta energy: -86.330 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: 7, replica: 3 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1555.763316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.763316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.763316 (E_RNA) where: Base-Base interactions energy: -984.973 where: short stacking energy: -462.104 Base-Backbone interact. energy: 2.107 local terms energy: -572.896626 where: bonds (distance) C4'-P energy: -123.462 bonds (distance) P-C4' energy: -150.575 flat angles C4'-P-C4' energy: -132.728 flat angles P-C4'-P energy: -80.314 tors. eta vs tors. theta energy: -85.817 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: 5 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1236.221950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.221950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.221950 (E_RNA) where: Base-Base interactions energy: -708.790 where: short stacking energy: -362.573 Base-Backbone interact. energy: 3.105 local terms energy: -530.536222 where: bonds (distance) C4'-P energy: -126.580 bonds (distance) P-C4' energy: -157.598 flat angles C4'-P-C4' energy: -128.634 flat angles P-C4'-P energy: -61.786 tors. eta vs tors. theta energy: -55.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -949.846740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.846740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.846740 (E_RNA) where: Base-Base interactions energy: -502.191 where: short stacking energy: -279.477 Base-Backbone interact. energy: -2.980 local terms energy: -444.676499 where: bonds (distance) C4'-P energy: -139.676 bonds (distance) P-C4' energy: -130.424 flat angles C4'-P-C4' energy: -125.574 flat angles P-C4'-P energy: -44.067 tors. eta vs tors. theta energy: -4.935 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: 10, replica: 9 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -739.624074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.624074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.624074 (E_RNA) where: Base-Base interactions energy: -346.104 where: short stacking energy: -221.342 Base-Backbone interact. energy: -4.320 local terms energy: -389.200616 where: bonds (distance) C4'-P energy: -129.590 bonds (distance) P-C4' energy: -105.815 flat angles C4'-P-C4' energy: -102.808 flat angles P-C4'-P energy: -67.989 tors. eta vs tors. theta energy: 17.001 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: 1, replica: 1 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -2620.320488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.320488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.320488 (E_RNA) where: Base-Base interactions energy: -1786.538 where: short stacking energy: -768.602 Base-Backbone interact. energy: -4.115 local terms energy: -829.667097 where: bonds (distance) C4'-P energy: -153.970 bonds (distance) P-C4' energy: -165.539 flat angles C4'-P-C4' energy: -175.174 flat angles P-C4'-P energy: -123.507 tors. eta vs tors. theta energy: -211.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -2507.237285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.237285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.237285 (E_RNA) where: Base-Base interactions energy: -1704.618 where: short stacking energy: -735.673 Base-Backbone interact. energy: -3.477 local terms energy: -799.141732 where: bonds (distance) C4'-P energy: -164.444 bonds (distance) P-C4' energy: -142.974 flat angles C4'-P-C4' energy: -172.648 flat angles P-C4'-P energy: -112.040 tors. eta vs tors. theta energy: -207.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -2399.211942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.211942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.211942 (E_RNA) where: Base-Base interactions energy: -1627.942 where: short stacking energy: -693.037 Base-Backbone interact. energy: 0.952 local terms energy: -772.221784 where: bonds (distance) C4'-P energy: -155.322 bonds (distance) P-C4' energy: -131.538 flat angles C4'-P-C4' energy: -166.932 flat angles P-C4'-P energy: -116.366 tors. eta vs tors. theta energy: -202.064 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: 2 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -2354.855290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.855290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.855290 (E_RNA) where: Base-Base interactions energy: -1596.950 where: short stacking energy: -698.300 Base-Backbone interact. energy: -2.653 local terms energy: -755.253062 where: bonds (distance) C4'-P energy: -133.294 bonds (distance) P-C4' energy: -149.455 flat angles C4'-P-C4' energy: -176.868 flat angles P-C4'-P energy: -102.676 tors. eta vs tors. theta energy: -192.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -1987.583769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.583769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.583769 (E_RNA) where: Base-Base interactions energy: -1303.333 where: short stacking energy: -575.703 Base-Backbone interact. energy: 2.143 local terms energy: -686.394504 where: bonds (distance) C4'-P energy: -145.183 bonds (distance) P-C4' energy: -155.268 flat angles C4'-P-C4' energy: -142.939 flat angles P-C4'-P energy: -84.695 tors. eta vs tors. theta energy: -158.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1663.351415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.351415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.351415 (E_RNA) where: Base-Base interactions energy: -1043.447 where: short stacking energy: -485.968 Base-Backbone interact. energy: 2.223 local terms energy: -622.126623 where: bonds (distance) C4'-P energy: -148.338 bonds (distance) P-C4' energy: -132.492 flat angles C4'-P-C4' energy: -149.004 flat angles P-C4'-P energy: -88.169 tors. eta vs tors. theta energy: -104.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1591.369661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.369661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.369661 (E_RNA) where: Base-Base interactions energy: -1000.105 where: short stacking energy: -437.774 Base-Backbone interact. energy: 2.095 local terms energy: -593.359961 where: bonds (distance) C4'-P energy: -133.210 bonds (distance) P-C4' energy: -150.622 flat angles C4'-P-C4' energy: -135.189 flat angles P-C4'-P energy: -93.840 tors. eta vs tors. theta energy: -80.498 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: 8, replica: 5 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1207.925993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.925993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.925993 (E_RNA) where: Base-Base interactions energy: -661.160 where: short stacking energy: -343.881 Base-Backbone interact. energy: -1.829 local terms energy: -544.937215 where: bonds (distance) C4'-P energy: -116.095 bonds (distance) P-C4' energy: -142.466 flat angles C4'-P-C4' energy: -145.961 flat angles P-C4'-P energy: -81.628 tors. eta vs tors. theta energy: -58.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -920.182340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.182340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.182340 (E_RNA) where: Base-Base interactions energy: -485.627 where: short stacking energy: -283.875 Base-Backbone interact. energy: 3.022 local terms energy: -437.577701 where: bonds (distance) C4'-P energy: -119.483 bonds (distance) P-C4' energy: -115.671 flat angles C4'-P-C4' energy: -115.255 flat angles P-C4'-P energy: -63.956 tors. eta vs tors. theta energy: -23.212 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: 9 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -761.969669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.969669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.969669 (E_RNA) where: Base-Base interactions energy: -361.601 where: short stacking energy: -227.469 Base-Backbone interact. energy: 4.258 local terms energy: -404.626766 where: bonds (distance) C4'-P energy: -124.703 bonds (distance) P-C4' energy: -119.709 flat angles C4'-P-C4' energy: -107.459 flat angles P-C4'-P energy: -64.988 tors. eta vs tors. theta energy: 12.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -2649.536258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.536258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.536258 (E_RNA) where: Base-Base interactions energy: -1843.718 where: short stacking energy: -761.748 Base-Backbone interact. energy: -2.079 local terms energy: -803.739005 where: bonds (distance) C4'-P energy: -156.672 bonds (distance) P-C4' energy: -157.339 flat angles C4'-P-C4' energy: -171.271 flat angles P-C4'-P energy: -92.837 tors. eta vs tors. theta energy: -225.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -2502.543950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.543950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.543950 (E_RNA) where: Base-Base interactions energy: -1725.240 where: short stacking energy: -730.067 Base-Backbone interact. energy: -4.092 local terms energy: -773.212160 where: bonds (distance) C4'-P energy: -157.914 bonds (distance) P-C4' energy: -157.359 flat angles C4'-P-C4' energy: -162.197 flat angles P-C4'-P energy: -91.989 tors. eta vs tors. theta energy: -203.753 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: 3, replica: 4 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -2391.230642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.230642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.230642 (E_RNA) where: Base-Base interactions energy: -1610.599 where: short stacking energy: -731.380 Base-Backbone interact. energy: -6.531 local terms energy: -774.100312 where: bonds (distance) C4'-P energy: -130.622 bonds (distance) P-C4' energy: -164.235 flat angles C4'-P-C4' energy: -182.033 flat angles P-C4'-P energy: -102.521 tors. eta vs tors. theta energy: -194.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -2388.512742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.512742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.512742 (E_RNA) where: Base-Base interactions energy: -1576.542 where: short stacking energy: -694.503 Base-Backbone interact. energy: 3.867 local terms energy: -815.838053 where: bonds (distance) C4'-P energy: -157.622 bonds (distance) P-C4' energy: -166.882 flat angles C4'-P-C4' energy: -175.229 flat angles P-C4'-P energy: -111.172 tors. eta vs tors. theta energy: -204.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -1952.885524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.885524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.885524 (E_RNA) where: Base-Base interactions energy: -1242.737 where: short stacking energy: -558.669 Base-Backbone interact. energy: 5.075 local terms energy: -715.223559 where: bonds (distance) C4'-P energy: -149.479 bonds (distance) P-C4' energy: -154.144 flat angles C4'-P-C4' energy: -165.797 flat angles P-C4'-P energy: -105.522 tors. eta vs tors. theta energy: -140.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1677.455915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.455915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.455915 (E_RNA) where: Base-Base interactions energy: -1040.466 where: short stacking energy: -460.573 Base-Backbone interact. energy: 0.061 local terms energy: -637.051090 where: bonds (distance) C4'-P energy: -154.979 bonds (distance) P-C4' energy: -140.551 flat angles C4'-P-C4' energy: -155.551 flat angles P-C4'-P energy: -82.272 tors. eta vs tors. theta energy: -103.697 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: 3 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1578.243542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.243542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.243542 (E_RNA) where: Base-Base interactions energy: -1023.821 where: short stacking energy: -445.528 Base-Backbone interact. energy: -1.815 local terms energy: -552.607395 where: bonds (distance) C4'-P energy: -127.666 bonds (distance) P-C4' energy: -130.008 flat angles C4'-P-C4' energy: -133.433 flat angles P-C4'-P energy: -63.566 tors. eta vs tors. theta energy: -97.934 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: 8, replica: 5 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1210.561059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.561059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.561059 (E_RNA) where: Base-Base interactions energy: -697.725 where: short stacking energy: -337.768 Base-Backbone interact. energy: 3.450 local terms energy: -516.285672 where: bonds (distance) C4'-P energy: -132.800 bonds (distance) P-C4' energy: -144.732 flat angles C4'-P-C4' energy: -144.287 flat angles P-C4'-P energy: -48.874 tors. eta vs tors. theta energy: -45.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -887.536139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.536139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.536139 (E_RNA) where: Base-Base interactions energy: -419.728 where: short stacking energy: -229.688 Base-Backbone interact. energy: -2.269 local terms energy: -465.539167 where: bonds (distance) C4'-P energy: -132.582 bonds (distance) P-C4' energy: -139.832 flat angles C4'-P-C4' energy: -119.032 flat angles P-C4'-P energy: -80.558 tors. eta vs tors. theta energy: 6.466 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: 10, replica: 9 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -638.791249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.791249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.791249 (E_RNA) where: Base-Base interactions energy: -272.633 where: short stacking energy: -165.282 Base-Backbone interact. energy: 0.558 local terms energy: -366.716056 where: bonds (distance) C4'-P energy: -128.809 bonds (distance) P-C4' energy: -120.566 flat angles C4'-P-C4' energy: -110.150 flat angles P-C4'-P energy: -52.699 tors. eta vs tors. theta energy: 45.507 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: 1 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -2656.837035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.837035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.837035 (E_RNA) where: Base-Base interactions energy: -1818.729 where: short stacking energy: -772.109 Base-Backbone interact. energy: -2.084 local terms energy: -836.024596 where: bonds (distance) C4'-P energy: -150.274 bonds (distance) P-C4' energy: -171.077 flat angles C4'-P-C4' energy: -180.211 flat angles P-C4'-P energy: -112.544 tors. eta vs tors. theta energy: -221.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -2530.687877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.687877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.687877 (E_RNA) where: Base-Base interactions energy: -1724.864 where: short stacking energy: -723.923 Base-Backbone interact. energy: -4.830 local terms energy: -800.993709 where: bonds (distance) C4'-P energy: -142.095 bonds (distance) P-C4' energy: -159.836 flat angles C4'-P-C4' energy: -174.293 flat angles P-C4'-P energy: -117.789 tors. eta vs tors. theta energy: -206.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -2356.277364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.277364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.277364 (E_RNA) where: Base-Base interactions energy: -1582.640 where: short stacking energy: -662.007 Base-Backbone interact. energy: -6.421 local terms energy: -767.216255 where: bonds (distance) C4'-P energy: -158.148 bonds (distance) P-C4' energy: -149.742 flat angles C4'-P-C4' energy: -165.557 flat angles P-C4'-P energy: -107.799 tors. eta vs tors. theta energy: -185.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -2319.908509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.908509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.908509 (E_RNA) where: Base-Base interactions energy: -1570.893 where: short stacking energy: -702.034 Base-Backbone interact. energy: -4.054 local terms energy: -744.961721 where: bonds (distance) C4'-P energy: -141.964 bonds (distance) P-C4' energy: -140.915 flat angles C4'-P-C4' energy: -156.152 flat angles P-C4'-P energy: -110.680 tors. eta vs tors. theta energy: -195.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -1969.794637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.794637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.794637 (E_RNA) where: Base-Base interactions energy: -1270.043 where: short stacking energy: -584.635 Base-Backbone interact. energy: 3.164 local terms energy: -702.915674 where: bonds (distance) C4'-P energy: -145.391 bonds (distance) P-C4' energy: -151.231 flat angles C4'-P-C4' energy: -149.408 flat angles P-C4'-P energy: -92.369 tors. eta vs tors. theta energy: -164.516 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: 6, replica: 6 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1651.085419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.085419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.085419 (E_RNA) where: Base-Base interactions energy: -1007.626 where: short stacking energy: -493.496 Base-Backbone interact. energy: -2.265 local terms energy: -641.193845 where: bonds (distance) C4'-P energy: -129.916 bonds (distance) P-C4' energy: -149.331 flat angles C4'-P-C4' energy: -163.434 flat angles P-C4'-P energy: -101.009 tors. eta vs tors. theta energy: -97.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1615.319680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.319680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.319680 (E_RNA) where: Base-Base interactions energy: -1035.843 where: short stacking energy: -463.375 Base-Backbone interact. energy: -0.157 local terms energy: -579.319902 where: bonds (distance) C4'-P energy: -144.537 bonds (distance) P-C4' energy: -131.775 flat angles C4'-P-C4' energy: -140.690 flat angles P-C4'-P energy: -87.919 tors. eta vs tors. theta energy: -74.398 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: 5 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1222.500662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.500662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.500662 (E_RNA) where: Base-Base interactions energy: -721.308 where: short stacking energy: -347.543 Base-Backbone interact. energy: -4.397 local terms energy: -496.795290 where: bonds (distance) C4'-P energy: -109.408 bonds (distance) P-C4' energy: -119.710 flat angles C4'-P-C4' energy: -119.954 flat angles P-C4'-P energy: -101.328 tors. eta vs tors. theta energy: -46.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -793.235331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.235331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.235331 (E_RNA) where: Base-Base interactions energy: -368.844 where: short stacking energy: -237.596 Base-Backbone interact. energy: 2.414 local terms energy: -426.805105 where: bonds (distance) C4'-P energy: -117.501 bonds (distance) P-C4' energy: -131.090 flat angles C4'-P-C4' energy: -95.288 flat angles P-C4'-P energy: -88.249 tors. eta vs tors. theta energy: 5.323 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: 9 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -691.264112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.264112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.264112 (E_RNA) where: Base-Base interactions energy: -291.421 where: short stacking energy: -211.507 Base-Backbone interact. energy: 3.982 local terms energy: -403.825608 where: bonds (distance) C4'-P energy: -138.415 bonds (distance) P-C4' energy: -127.930 flat angles C4'-P-C4' energy: -97.694 flat angles P-C4'-P energy: -60.045 tors. eta vs tors. theta energy: 20.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -2599.789776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.789776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.789776 (E_RNA) where: Base-Base interactions energy: -1762.723 where: short stacking energy: -736.268 Base-Backbone interact. energy: -5.537 local terms energy: -831.530037 where: bonds (distance) C4'-P energy: -158.527 bonds (distance) P-C4' energy: -155.236 flat angles C4'-P-C4' energy: -175.988 flat angles P-C4'-P energy: -127.496 tors. eta vs tors. theta energy: -214.283 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: 8 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -2548.478911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.478911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.478911 (E_RNA) where: Base-Base interactions energy: -1708.669 where: short stacking energy: -775.152 Base-Backbone interact. energy: -5.298 local terms energy: -834.511912 where: bonds (distance) C4'-P energy: -153.102 bonds (distance) P-C4' energy: -163.226 flat angles C4'-P-C4' energy: -179.923 flat angles P-C4'-P energy: -117.954 tors. eta vs tors. theta energy: -220.307 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: 3, replica: 4 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -2402.006577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.006577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.006577 (E_RNA) where: Base-Base interactions energy: -1626.611 where: short stacking energy: -713.613 Base-Backbone interact. energy: -0.091 local terms energy: -775.304455 where: bonds (distance) C4'-P energy: -150.891 bonds (distance) P-C4' energy: -145.844 flat angles C4'-P-C4' energy: -166.001 flat angles P-C4'-P energy: -115.660 tors. eta vs tors. theta energy: -196.909 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: 2 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -2336.206841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.206841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.206841 (E_RNA) where: Base-Base interactions energy: -1575.228 where: short stacking energy: -688.654 Base-Backbone interact. energy: 1.404 local terms energy: -762.383538 where: bonds (distance) C4'-P energy: -142.013 bonds (distance) P-C4' energy: -171.468 flat angles C4'-P-C4' energy: -175.035 flat angles P-C4'-P energy: -81.019 tors. eta vs tors. theta energy: -192.848 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: 5, replica: 10 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -1981.672739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.672739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.672739 (E_RNA) where: Base-Base interactions energy: -1301.623 where: short stacking energy: -549.260 Base-Backbone interact. energy: -0.961 local terms energy: -679.088457 where: bonds (distance) C4'-P energy: -145.906 bonds (distance) P-C4' energy: -144.333 flat angles C4'-P-C4' energy: -151.786 flat angles P-C4'-P energy: -93.386 tors. eta vs tors. theta energy: -143.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1725.038943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.038943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.038943 (E_RNA) where: Base-Base interactions energy: -1066.777 where: short stacking energy: -501.027 Base-Backbone interact. energy: -3.315 local terms energy: -654.946520 where: bonds (distance) C4'-P energy: -164.603 bonds (distance) P-C4' energy: -134.400 flat angles C4'-P-C4' energy: -151.820 flat angles P-C4'-P energy: -80.380 tors. eta vs tors. theta energy: -123.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1613.165134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.165134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.165134 (E_RNA) where: Base-Base interactions energy: -1049.559 where: short stacking energy: -461.198 Base-Backbone interact. energy: 0.174 local terms energy: -563.780104 where: bonds (distance) C4'-P energy: -132.717 bonds (distance) P-C4' energy: -138.270 flat angles C4'-P-C4' energy: -148.796 flat angles P-C4'-P energy: -72.563 tors. eta vs tors. theta energy: -71.434 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: 5 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1271.722057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.722057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.722057 (E_RNA) where: Base-Base interactions energy: -747.024 where: short stacking energy: -355.149 Base-Backbone interact. energy: 2.120 local terms energy: -526.818437 where: bonds (distance) C4'-P energy: -104.864 bonds (distance) P-C4' energy: -139.812 flat angles C4'-P-C4' energy: -142.536 flat angles P-C4'-P energy: -83.955 tors. eta vs tors. theta energy: -55.651 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: 9, replica: 7 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -829.788565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.788565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.788565 (E_RNA) where: Base-Base interactions energy: -380.919 where: short stacking energy: -235.189 Base-Backbone interact. energy: -0.980 local terms energy: -447.890367 where: bonds (distance) C4'-P energy: -127.635 bonds (distance) P-C4' energy: -159.356 flat angles C4'-P-C4' energy: -114.310 flat angles P-C4'-P energy: -38.850 tors. eta vs tors. theta energy: -7.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -776.667465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.667465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.667465 (E_RNA) where: Base-Base interactions energy: -364.909 where: short stacking energy: -207.890 Base-Backbone interact. energy: 5.228 local terms energy: -416.986477 where: bonds (distance) C4'-P energy: -128.345 bonds (distance) P-C4' energy: -132.035 flat angles C4'-P-C4' energy: -95.314 flat angles P-C4'-P energy: -65.655 tors. eta vs tors. theta energy: 4.362 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: 1 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -2644.744879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.744879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.744879 (E_RNA) where: Base-Base interactions energy: -1809.250 where: short stacking energy: -800.565 Base-Backbone interact. energy: -2.534 local terms energy: -832.960874 where: bonds (distance) C4'-P energy: -150.663 bonds (distance) P-C4' energy: -160.413 flat angles C4'-P-C4' energy: -187.329 flat angles P-C4'-P energy: -107.565 tors. eta vs tors. theta energy: -226.990 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: 2, replica: 8 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2547.069832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.069832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.069832 (E_RNA) where: Base-Base interactions energy: -1702.045 where: short stacking energy: -732.962 Base-Backbone interact. energy: -4.970 local terms energy: -840.054479 where: bonds (distance) C4'-P energy: -167.300 bonds (distance) P-C4' energy: -170.194 flat angles C4'-P-C4' energy: -170.319 flat angles P-C4'-P energy: -116.885 tors. eta vs tors. theta energy: -215.357 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: 4 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -2387.388313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.388313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.388313 (E_RNA) where: Base-Base interactions energy: -1629.659 where: short stacking energy: -684.311 Base-Backbone interact. energy: -2.904 local terms energy: -754.825260 where: bonds (distance) C4'-P energy: -141.362 bonds (distance) P-C4' energy: -151.031 flat angles C4'-P-C4' energy: -153.860 flat angles P-C4'-P energy: -105.031 tors. eta vs tors. theta energy: -203.542 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: 4, replica: 2 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -2314.774599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.774599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.774599 (E_RNA) where: Base-Base interactions energy: -1571.608 where: short stacking energy: -658.575 Base-Backbone interact. energy: -2.987 local terms energy: -740.179888 where: bonds (distance) C4'-P energy: -134.346 bonds (distance) P-C4' energy: -161.288 flat angles C4'-P-C4' energy: -158.300 flat angles P-C4'-P energy: -105.219 tors. eta vs tors. theta energy: -181.027 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: 10 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -1907.668273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.668273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.668273 (E_RNA) where: Base-Base interactions energy: -1239.456 where: short stacking energy: -565.585 Base-Backbone interact. energy: 0.607 local terms energy: -668.819076 where: bonds (distance) C4'-P energy: -137.418 bonds (distance) P-C4' energy: -147.669 flat angles C4'-P-C4' energy: -141.410 flat angles P-C4'-P energy: -95.317 tors. eta vs tors. theta energy: -147.005 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: 6, replica: 6 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1629.756528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.756528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.756528 (E_RNA) where: Base-Base interactions energy: -1030.275 where: short stacking energy: -450.312 Base-Backbone interact. energy: 0.553 local terms energy: -600.034233 where: bonds (distance) C4'-P energy: -125.965 bonds (distance) P-C4' energy: -130.903 flat angles C4'-P-C4' energy: -139.305 flat angles P-C4'-P energy: -100.373 tors. eta vs tors. theta energy: -103.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1606.587568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.587568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.587568 (E_RNA) where: Base-Base interactions energy: -1019.592 where: short stacking energy: -470.831 Base-Backbone interact. energy: 1.347 local terms energy: -588.342764 where: bonds (distance) C4'-P energy: -142.880 bonds (distance) P-C4' energy: -144.062 flat angles C4'-P-C4' energy: -125.095 flat angles P-C4'-P energy: -80.715 tors. eta vs tors. theta energy: -95.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1266.859079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.859079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.859079 (E_RNA) where: Base-Base interactions energy: -758.714 where: short stacking energy: -343.170 Base-Backbone interact. energy: -4.674 local terms energy: -503.470938 where: bonds (distance) C4'-P energy: -129.687 bonds (distance) P-C4' energy: -153.857 flat angles C4'-P-C4' energy: -119.794 flat angles P-C4'-P energy: -67.095 tors. eta vs tors. theta energy: -33.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -813.125575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.125575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.125575 (E_RNA) where: Base-Base interactions energy: -395.166 where: short stacking energy: -231.540 Base-Backbone interact. energy: -3.526 local terms energy: -414.432652 where: bonds (distance) C4'-P energy: -105.435 bonds (distance) P-C4' energy: -129.042 flat angles C4'-P-C4' energy: -118.567 flat angles P-C4'-P energy: -49.874 tors. eta vs tors. theta energy: -11.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -769.678752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.678752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.678752 (E_RNA) where: Base-Base interactions energy: -374.018 where: short stacking energy: -224.593 Base-Backbone interact. energy: 2.981 local terms energy: -398.641882 where: bonds (distance) C4'-P energy: -110.878 bonds (distance) P-C4' energy: -133.140 flat angles C4'-P-C4' energy: -115.350 flat angles P-C4'-P energy: -54.469 tors. eta vs tors. theta energy: 15.195 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: 1 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -2624.597794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.597794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.597794 (E_RNA) where: Base-Base interactions energy: -1781.651 where: short stacking energy: -763.059 Base-Backbone interact. energy: -8.250 local terms energy: -834.696089 where: bonds (distance) C4'-P energy: -165.969 bonds (distance) P-C4' energy: -161.546 flat angles C4'-P-C4' energy: -166.242 flat angles P-C4'-P energy: -125.638 tors. eta vs tors. theta energy: -215.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -2498.764893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.764893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.764893 (E_RNA) where: Base-Base interactions energy: -1705.878 where: short stacking energy: -719.092 Base-Backbone interact. energy: -9.411 local terms energy: -783.475952 where: bonds (distance) C4'-P energy: -156.747 bonds (distance) P-C4' energy: -139.368 flat angles C4'-P-C4' energy: -180.965 flat angles P-C4'-P energy: -105.937 tors. eta vs tors. theta energy: -200.459 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: 3, replica: 4 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -2351.191926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.191926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.191926 (E_RNA) where: Base-Base interactions energy: -1586.931 where: short stacking energy: -693.082 Base-Backbone interact. energy: 6.196 local terms energy: -770.457205 where: bonds (distance) C4'-P energy: -145.501 bonds (distance) P-C4' energy: -136.180 flat angles C4'-P-C4' energy: -179.324 flat angles P-C4'-P energy: -119.723 tors. eta vs tors. theta energy: -189.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -2292.639092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.639092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.639092 (E_RNA) where: Base-Base interactions energy: -1532.454 where: short stacking energy: -680.256 Base-Backbone interact. energy: 2.693 local terms energy: -762.877810 where: bonds (distance) C4'-P energy: -146.528 bonds (distance) P-C4' energy: -156.072 flat angles C4'-P-C4' energy: -161.836 flat angles P-C4'-P energy: -107.305 tors. eta vs tors. theta energy: -191.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -1874.049586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.049586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.049586 (E_RNA) where: Base-Base interactions energy: -1211.095 where: short stacking energy: -551.927 Base-Backbone interact. energy: 4.721 local terms energy: -667.675369 where: bonds (distance) C4'-P energy: -146.829 bonds (distance) P-C4' energy: -154.078 flat angles C4'-P-C4' energy: -162.927 flat angles P-C4'-P energy: -75.904 tors. eta vs tors. theta energy: -127.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1748.419058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.419058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.419058 (E_RNA) where: Base-Base interactions energy: -1069.969 where: short stacking energy: -528.960 Base-Backbone interact. energy: -1.119 local terms energy: -677.330470 where: bonds (distance) C4'-P energy: -147.613 bonds (distance) P-C4' energy: -161.294 flat angles C4'-P-C4' energy: -160.252 flat angles P-C4'-P energy: -81.215 tors. eta vs tors. theta energy: -126.956 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: 7, replica: 3 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1545.707262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.707262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.707262 (E_RNA) where: Base-Base interactions energy: -948.710 where: short stacking energy: -442.997 Base-Backbone interact. energy: -5.458 local terms energy: -591.539232 where: bonds (distance) C4'-P energy: -140.540 bonds (distance) P-C4' energy: -134.273 flat angles C4'-P-C4' energy: -144.247 flat angles P-C4'-P energy: -92.172 tors. eta vs tors. theta energy: -80.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1399.692107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.692107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.692107 (E_RNA) where: Base-Base interactions energy: -839.784 where: short stacking energy: -411.854 Base-Backbone interact. energy: 4.060 local terms energy: -563.967780 where: bonds (distance) C4'-P energy: -116.830 bonds (distance) P-C4' energy: -147.691 flat angles C4'-P-C4' energy: -145.403 flat angles P-C4'-P energy: -83.348 tors. eta vs tors. theta energy: -70.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -789.680533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.680533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.680533 (E_RNA) where: Base-Base interactions energy: -376.297 where: short stacking energy: -224.279 Base-Backbone interact. energy: 1.097 local terms energy: -414.480105 where: bonds (distance) C4'-P energy: -119.124 bonds (distance) P-C4' energy: -136.470 flat angles C4'-P-C4' energy: -94.021 flat angles P-C4'-P energy: -87.708 tors. eta vs tors. theta energy: 22.842 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: 10, replica: 7 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -753.437402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.437402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.437402 (E_RNA) where: Base-Base interactions energy: -330.512 where: short stacking energy: -190.192 Base-Backbone interact. energy: 1.395 local terms energy: -424.320318 where: bonds (distance) C4'-P energy: -140.576 bonds (distance) P-C4' energy: -116.226 flat angles C4'-P-C4' energy: -107.184 flat angles P-C4'-P energy: -70.259 tors. eta vs tors. theta energy: 9.925 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: 1, replica: 1 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -2641.562227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.562227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.562227 (E_RNA) where: Base-Base interactions energy: -1800.681 where: short stacking energy: -784.183 Base-Backbone interact. energy: -3.431 local terms energy: -837.450220 where: bonds (distance) C4'-P energy: -151.363 bonds (distance) P-C4' energy: -172.360 flat angles C4'-P-C4' energy: -184.367 flat angles P-C4'-P energy: -110.919 tors. eta vs tors. theta energy: -218.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2514.016733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.016733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.016733 (E_RNA) where: Base-Base interactions energy: -1706.454 where: short stacking energy: -716.078 Base-Backbone interact. energy: -1.981 local terms energy: -805.581827 where: bonds (distance) C4'-P energy: -157.261 bonds (distance) P-C4' energy: -157.448 flat angles C4'-P-C4' energy: -170.855 flat angles P-C4'-P energy: -108.234 tors. eta vs tors. theta energy: -211.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -2382.508359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.508359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.508359 (E_RNA) where: Base-Base interactions energy: -1569.586 where: short stacking energy: -680.917 Base-Backbone interact. energy: -4.755 local terms energy: -808.167609 where: bonds (distance) C4'-P energy: -161.853 bonds (distance) P-C4' energy: -163.483 flat angles C4'-P-C4' energy: -180.935 flat angles P-C4'-P energy: -109.074 tors. eta vs tors. theta energy: -192.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -2309.933138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.933138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.933138 (E_RNA) where: Base-Base interactions energy: -1570.070 where: short stacking energy: -696.292 Base-Backbone interact. energy: -5.354 local terms energy: -734.509305 where: bonds (distance) C4'-P energy: -157.542 bonds (distance) P-C4' energy: -140.004 flat angles C4'-P-C4' energy: -153.080 flat angles P-C4'-P energy: -103.281 tors. eta vs tors. theta energy: -180.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -1867.368550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.368550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.368550 (E_RNA) where: Base-Base interactions energy: -1193.032 where: short stacking energy: -544.778 Base-Backbone interact. energy: 1.085 local terms energy: -675.421843 where: bonds (distance) C4'-P energy: -134.896 bonds (distance) P-C4' energy: -149.340 flat angles C4'-P-C4' energy: -146.119 flat angles P-C4'-P energy: -100.686 tors. eta vs tors. theta energy: -144.380 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: 6 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1655.922427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.922427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.922427 (E_RNA) where: Base-Base interactions energy: -1013.020 where: short stacking energy: -486.486 Base-Backbone interact. energy: 3.571 local terms energy: -646.473663 where: bonds (distance) C4'-P energy: -155.813 bonds (distance) P-C4' energy: -159.545 flat angles C4'-P-C4' energy: -127.384 flat angles P-C4'-P energy: -100.127 tors. eta vs tors. theta energy: -103.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1489.125565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.125565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.125565 (E_RNA) where: Base-Base interactions energy: -918.293 where: short stacking energy: -422.828 Base-Backbone interact. energy: -1.943 local terms energy: -568.889763 where: bonds (distance) C4'-P energy: -128.692 bonds (distance) P-C4' energy: -130.752 flat angles C4'-P-C4' energy: -130.015 flat angles P-C4'-P energy: -95.288 tors. eta vs tors. theta energy: -84.142 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: 8, replica: 5 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1418.886977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.886977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.886977 (E_RNA) where: Base-Base interactions energy: -906.497 where: short stacking energy: -412.210 Base-Backbone interact. energy: 2.365 local terms energy: -514.754838 where: bonds (distance) C4'-P energy: -106.980 bonds (distance) P-C4' energy: -118.007 flat angles C4'-P-C4' energy: -131.491 flat angles P-C4'-P energy: -70.256 tors. eta vs tors. theta energy: -88.021 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: 9, replica: 9 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -768.601507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.601507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.601507 (E_RNA) where: Base-Base interactions energy: -319.234 where: short stacking energy: -233.251 Base-Backbone interact. energy: -0.557 local terms energy: -448.810829 where: bonds (distance) C4'-P energy: -118.903 bonds (distance) P-C4' energy: -141.100 flat angles C4'-P-C4' energy: -124.018 flat angles P-C4'-P energy: -60.554 tors. eta vs tors. theta energy: -4.236 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: 10, replica: 7 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -786.332509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.332509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.332509 (E_RNA) where: Base-Base interactions energy: -343.838 where: short stacking energy: -209.700 Base-Backbone interact. energy: 14.476 local terms energy: -456.970520 where: bonds (distance) C4'-P energy: -141.168 bonds (distance) P-C4' energy: -147.772 flat angles C4'-P-C4' energy: -114.928 flat angles P-C4'-P energy: -57.701 tors. eta vs tors. theta energy: 4.599 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: 1, replica: 1 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -2627.968516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.968516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.968516 (E_RNA) where: Base-Base interactions energy: -1766.165 where: short stacking energy: -760.157 Base-Backbone interact. energy: -5.711 local terms energy: -856.092665 where: bonds (distance) C4'-P energy: -153.242 bonds (distance) P-C4' energy: -162.884 flat angles C4'-P-C4' energy: -182.707 flat angles P-C4'-P energy: -131.884 tors. eta vs tors. theta energy: -225.376 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: 8 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2513.756025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.756025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.756025 (E_RNA) where: Base-Base interactions energy: -1700.576 where: short stacking energy: -717.353 Base-Backbone interact. energy: -4.414 local terms energy: -808.766226 where: bonds (distance) C4'-P energy: -160.116 bonds (distance) P-C4' energy: -150.649 flat angles C4'-P-C4' energy: -184.265 flat angles P-C4'-P energy: -112.377 tors. eta vs tors. theta energy: -201.359 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: 151 Temperature: 1.000000 Total energy: -2423.251341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.251341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.251341 (E_RNA) where: Base-Base interactions energy: -1655.919 where: short stacking energy: -666.535 Base-Backbone interact. energy: -2.092 local terms energy: -765.240426 where: bonds (distance) C4'-P energy: -147.551 bonds (distance) P-C4' energy: -144.177 flat angles C4'-P-C4' energy: -167.982 flat angles P-C4'-P energy: -112.862 tors. eta vs tors. theta energy: -192.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -2323.021182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.021182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.021182 (E_RNA) where: Base-Base interactions energy: -1585.001 where: short stacking energy: -676.172 Base-Backbone interact. energy: 2.698 local terms energy: -740.717773 where: bonds (distance) C4'-P energy: -148.247 bonds (distance) P-C4' energy: -136.981 flat angles C4'-P-C4' energy: -154.909 flat angles P-C4'-P energy: -97.984 tors. eta vs tors. theta energy: -202.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -1877.633710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.633710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.633710 (E_RNA) where: Base-Base interactions energy: -1226.880 where: short stacking energy: -514.667 Base-Backbone interact. energy: -0.226 local terms energy: -650.527538 where: bonds (distance) C4'-P energy: -148.984 bonds (distance) P-C4' energy: -145.590 flat angles C4'-P-C4' energy: -157.271 flat angles P-C4'-P energy: -86.448 tors. eta vs tors. theta energy: -112.234 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: 6, replica: 6 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -1691.058563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.058563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.058563 (E_RNA) where: Base-Base interactions energy: -1088.670 where: short stacking energy: -502.746 Base-Backbone interact. energy: -2.533 local terms energy: -599.854828 where: bonds (distance) C4'-P energy: -128.472 bonds (distance) P-C4' energy: -145.214 flat angles C4'-P-C4' energy: -138.001 flat angles P-C4'-P energy: -74.992 tors. eta vs tors. theta energy: -113.175 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: 3 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1574.921312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.921312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.921312 (E_RNA) where: Base-Base interactions energy: -975.555 where: short stacking energy: -464.444 Base-Backbone interact. energy: -0.484 local terms energy: -598.882086 where: bonds (distance) C4'-P energy: -144.523 bonds (distance) P-C4' energy: -144.996 flat angles C4'-P-C4' energy: -140.498 flat angles P-C4'-P energy: -74.093 tors. eta vs tors. theta energy: -94.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1435.671683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.671683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.671683 (E_RNA) where: Base-Base interactions energy: -892.869 where: short stacking energy: -413.953 Base-Backbone interact. energy: 0.808 local terms energy: -543.610672 where: bonds (distance) C4'-P energy: -126.033 bonds (distance) P-C4' energy: -140.549 flat angles C4'-P-C4' energy: -118.082 flat angles P-C4'-P energy: -83.039 tors. eta vs tors. theta energy: -75.908 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: 9 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -767.519198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.519198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.519198 (E_RNA) where: Base-Base interactions energy: -317.935 where: short stacking energy: -213.059 Base-Backbone interact. energy: 3.072 local terms energy: -452.655517 where: bonds (distance) C4'-P energy: -120.310 bonds (distance) P-C4' energy: -136.662 flat angles C4'-P-C4' energy: -132.520 flat angles P-C4'-P energy: -76.202 tors. eta vs tors. theta energy: 13.038 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: 7 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -741.264976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.264976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.264976 (E_RNA) where: Base-Base interactions energy: -339.830 where: short stacking energy: -204.138 Base-Backbone interact. energy: 20.109 local terms energy: -421.544342 where: bonds (distance) C4'-P energy: -124.149 bonds (distance) P-C4' energy: -132.399 flat angles C4'-P-C4' energy: -114.097 flat angles P-C4'-P energy: -69.480 tors. eta vs tors. theta energy: 18.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -2627.017346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.017346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.017346 (E_RNA) where: Base-Base interactions energy: -1767.239 where: short stacking energy: -754.033 Base-Backbone interact. energy: 0.222 local terms energy: -859.999826 where: bonds (distance) C4'-P energy: -153.445 bonds (distance) P-C4' energy: -160.373 flat angles C4'-P-C4' energy: -192.706 flat angles P-C4'-P energy: -120.703 tors. eta vs tors. theta energy: -232.772 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: 8 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -2525.729658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.729658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.729658 (E_RNA) where: Base-Base interactions energy: -1710.604 where: short stacking energy: -735.497 Base-Backbone interact. energy: 0.043 local terms energy: -815.168509 where: bonds (distance) C4'-P energy: -146.647 bonds (distance) P-C4' energy: -156.338 flat angles C4'-P-C4' energy: -173.809 flat angles P-C4'-P energy: -128.524 tors. eta vs tors. theta energy: -209.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -2382.691384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.691384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.691384 (E_RNA) where: Base-Base interactions energy: -1594.004 where: short stacking energy: -679.960 Base-Backbone interact. energy: -2.385 local terms energy: -786.301657 where: bonds (distance) C4'-P energy: -153.626 bonds (distance) P-C4' energy: -159.670 flat angles C4'-P-C4' energy: -173.816 flat angles P-C4'-P energy: -107.377 tors. eta vs tors. theta energy: -191.813 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: 4, replica: 2 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -2308.298823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.298823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.298823 (E_RNA) where: Base-Base interactions energy: -1558.763 where: short stacking energy: -681.834 Base-Backbone interact. energy: -1.713 local terms energy: -747.823084 where: bonds (distance) C4'-P energy: -139.284 bonds (distance) P-C4' energy: -142.945 flat angles C4'-P-C4' energy: -169.190 flat angles P-C4'-P energy: -105.432 tors. eta vs tors. theta energy: -190.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -1841.745590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.745590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.745590 (E_RNA) where: Base-Base interactions energy: -1171.218 where: short stacking energy: -529.407 Base-Backbone interact. energy: 0.851 local terms energy: -671.378018 where: bonds (distance) C4'-P energy: -134.659 bonds (distance) P-C4' energy: -146.103 flat angles C4'-P-C4' energy: -156.946 flat angles P-C4'-P energy: -106.886 tors. eta vs tors. theta energy: -126.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1742.365352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.365352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.365352 (E_RNA) where: Base-Base interactions energy: -1095.409 where: short stacking energy: -523.686 Base-Backbone interact. energy: -3.035 local terms energy: -643.921110 where: bonds (distance) C4'-P energy: -141.041 bonds (distance) P-C4' energy: -149.677 flat angles C4'-P-C4' energy: -134.558 flat angles P-C4'-P energy: -100.692 tors. eta vs tors. theta energy: -117.953 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: 7, replica: 3 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1595.167868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.167868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.167868 (E_RNA) where: Base-Base interactions energy: -991.107 where: short stacking energy: -468.442 Base-Backbone interact. energy: -1.219 local terms energy: -602.841151 where: bonds (distance) C4'-P energy: -132.965 bonds (distance) P-C4' energy: -137.127 flat angles C4'-P-C4' energy: -141.305 flat angles P-C4'-P energy: -83.749 tors. eta vs tors. theta energy: -107.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -1376.458196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.458196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.458196 (E_RNA) where: Base-Base interactions energy: -838.507 where: short stacking energy: -413.155 Base-Backbone interact. energy: 7.021 local terms energy: -544.972843 where: bonds (distance) C4'-P energy: -120.259 bonds (distance) P-C4' energy: -130.944 flat angles C4'-P-C4' energy: -134.900 flat angles P-C4'-P energy: -86.831 tors. eta vs tors. theta energy: -72.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -811.718384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.718384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.718384 (E_RNA) where: Base-Base interactions energy: -351.152 where: short stacking energy: -234.807 Base-Backbone interact. energy: 4.055 local terms energy: -464.622075 where: bonds (distance) C4'-P energy: -130.416 bonds (distance) P-C4' energy: -151.475 flat angles C4'-P-C4' energy: -111.701 flat angles P-C4'-P energy: -80.494 tors. eta vs tors. theta energy: 9.464 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: 9 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -691.144123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.144123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.144123 (E_RNA) where: Base-Base interactions energy: -291.581 where: short stacking energy: -166.485 Base-Backbone interact. energy: 1.513 local terms energy: -401.075922 where: bonds (distance) C4'-P energy: -105.726 bonds (distance) P-C4' energy: -137.570 flat angles C4'-P-C4' energy: -117.009 flat angles P-C4'-P energy: -67.321 tors. eta vs tors. theta energy: 26.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -2606.404508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.404508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.404508 (E_RNA) where: Base-Base interactions energy: -1800.965 where: short stacking energy: -758.078 Base-Backbone interact. energy: -3.741 local terms energy: -801.698289 where: bonds (distance) C4'-P energy: -149.032 bonds (distance) P-C4' energy: -170.695 flat angles C4'-P-C4' energy: -155.213 flat angles P-C4'-P energy: -125.294 tors. eta vs tors. theta energy: -201.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -2550.808436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.808436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.808436 (E_RNA) where: Base-Base interactions energy: -1720.240 where: short stacking energy: -734.925 Base-Backbone interact. energy: -8.179 local terms energy: -822.390132 where: bonds (distance) C4'-P energy: -145.886 bonds (distance) P-C4' energy: -153.160 flat angles C4'-P-C4' energy: -182.511 flat angles P-C4'-P energy: -116.351 tors. eta vs tors. theta energy: -224.482 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: 4 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -2403.348679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.348679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.348679 (E_RNA) where: Base-Base interactions energy: -1644.638 where: short stacking energy: -667.724 Base-Backbone interact. energy: -1.977 local terms energy: -756.734551 where: bonds (distance) C4'-P energy: -140.229 bonds (distance) P-C4' energy: -151.467 flat angles C4'-P-C4' energy: -170.108 flat angles P-C4'-P energy: -114.085 tors. eta vs tors. theta energy: -180.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -2253.185139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.185139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.185139 (E_RNA) where: Base-Base interactions energy: -1532.439 where: short stacking energy: -660.477 Base-Backbone interact. energy: -0.845 local terms energy: -719.901028 where: bonds (distance) C4'-P energy: -117.059 bonds (distance) P-C4' energy: -131.195 flat angles C4'-P-C4' energy: -173.769 flat angles P-C4'-P energy: -118.560 tors. eta vs tors. theta energy: -179.319 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: 10 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -1870.497722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.497722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.497722 (E_RNA) where: Base-Base interactions energy: -1205.822 where: short stacking energy: -516.135 Base-Backbone interact. energy: -3.549 local terms energy: -661.126433 where: bonds (distance) C4'-P energy: -128.129 bonds (distance) P-C4' energy: -152.694 flat angles C4'-P-C4' energy: -168.688 flat angles P-C4'-P energy: -91.224 tors. eta vs tors. theta energy: -120.391 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: 6 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -1688.194302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.194302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.194302 (E_RNA) where: Base-Base interactions energy: -1039.369 where: short stacking energy: -470.824 Base-Backbone interact. energy: -5.647 local terms energy: -643.177757 where: bonds (distance) C4'-P energy: -141.378 bonds (distance) P-C4' energy: -157.025 flat angles C4'-P-C4' energy: -145.126 flat angles P-C4'-P energy: -92.459 tors. eta vs tors. theta energy: -107.189 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: 7, replica: 3 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1559.026930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.026930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.026930 (E_RNA) where: Base-Base interactions energy: -969.493 where: short stacking energy: -458.629 Base-Backbone interact. energy: 5.524 local terms energy: -595.058629 where: bonds (distance) C4'-P energy: -105.209 bonds (distance) P-C4' energy: -160.604 flat angles C4'-P-C4' energy: -136.213 flat angles P-C4'-P energy: -90.093 tors. eta vs tors. theta energy: -102.940 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: 8, replica: 5 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1351.486070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.486070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.486070 (E_RNA) where: Base-Base interactions energy: -821.911 where: short stacking energy: -381.996 Base-Backbone interact. energy: -0.143 local terms energy: -529.432098 where: bonds (distance) C4'-P energy: -123.261 bonds (distance) P-C4' energy: -136.779 flat angles C4'-P-C4' energy: -138.237 flat angles P-C4'-P energy: -74.107 tors. eta vs tors. theta energy: -57.048 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: 9, replica: 7 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -751.675222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.675222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.675222 (E_RNA) where: Base-Base interactions energy: -321.579 where: short stacking energy: -198.039 Base-Backbone interact. energy: -1.980 local terms energy: -428.116901 where: bonds (distance) C4'-P energy: -139.733 bonds (distance) P-C4' energy: -126.975 flat angles C4'-P-C4' energy: -121.373 flat angles P-C4'-P energy: -59.164 tors. eta vs tors. theta energy: 19.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -673.143914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.143914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.143914 (E_RNA) where: Base-Base interactions energy: -284.349 where: short stacking energy: -196.648 Base-Backbone interact. energy: 4.837 local terms energy: -393.631866 where: bonds (distance) C4'-P energy: -131.826 bonds (distance) P-C4' energy: -127.120 flat angles C4'-P-C4' energy: -99.755 flat angles P-C4'-P energy: -65.065 tors. eta vs tors. theta energy: 30.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -2627.326211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.326211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.326211 (E_RNA) where: Base-Base interactions energy: -1770.306 where: short stacking energy: -751.500 Base-Backbone interact. energy: -2.769 local terms energy: -854.250906 where: bonds (distance) C4'-P energy: -162.286 bonds (distance) P-C4' energy: -158.437 flat angles C4'-P-C4' energy: -188.913 flat angles P-C4'-P energy: -114.218 tors. eta vs tors. theta energy: -230.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2548.573425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.573425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.573425 (E_RNA) where: Base-Base interactions energy: -1729.394 where: short stacking energy: -744.857 Base-Backbone interact. energy: -3.992 local terms energy: -815.187609 where: bonds (distance) C4'-P energy: -165.137 bonds (distance) P-C4' energy: -151.709 flat angles C4'-P-C4' energy: -178.468 flat angles P-C4'-P energy: -101.061 tors. eta vs tors. theta energy: -218.812 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: 3, replica: 4 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -2402.151110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.151110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.151110 (E_RNA) where: Base-Base interactions energy: -1641.543 where: short stacking energy: -700.112 Base-Backbone interact. energy: -2.127 local terms energy: -758.481182 where: bonds (distance) C4'-P energy: -136.475 bonds (distance) P-C4' energy: -155.630 flat angles C4'-P-C4' energy: -158.304 flat angles P-C4'-P energy: -112.375 tors. eta vs tors. theta energy: -195.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -2287.428332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.428332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.428332 (E_RNA) where: Base-Base interactions energy: -1520.055 where: short stacking energy: -672.687 Base-Backbone interact. energy: -4.952 local terms energy: -762.421273 where: bonds (distance) C4'-P energy: -138.055 bonds (distance) P-C4' energy: -157.042 flat angles C4'-P-C4' energy: -156.980 flat angles P-C4'-P energy: -114.290 tors. eta vs tors. theta energy: -196.056 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: 5, replica: 10 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -1880.604627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.604627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.604627 (E_RNA) where: Base-Base interactions energy: -1222.460 where: short stacking energy: -554.564 Base-Backbone interact. energy: -3.831 local terms energy: -654.313899 where: bonds (distance) C4'-P energy: -130.638 bonds (distance) P-C4' energy: -137.477 flat angles C4'-P-C4' energy: -156.200 flat angles P-C4'-P energy: -85.728 tors. eta vs tors. theta energy: -144.271 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: 6 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -1674.038453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.038453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.038453 (E_RNA) where: Base-Base interactions energy: -1082.795 where: short stacking energy: -485.618 Base-Backbone interact. energy: -1.595 local terms energy: -589.648267 where: bonds (distance) C4'-P energy: -98.290 bonds (distance) P-C4' energy: -151.576 flat angles C4'-P-C4' energy: -142.975 flat angles P-C4'-P energy: -88.694 tors. eta vs tors. theta energy: -108.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1571.320480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.320480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.320480 (E_RNA) where: Base-Base interactions energy: -965.646 where: short stacking energy: -455.590 Base-Backbone interact. energy: -3.337 local terms energy: -602.338179 where: bonds (distance) C4'-P energy: -139.458 bonds (distance) P-C4' energy: -139.135 flat angles C4'-P-C4' energy: -142.874 flat angles P-C4'-P energy: -99.464 tors. eta vs tors. theta energy: -81.408 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: 5 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1342.695296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.695296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.695296 (E_RNA) where: Base-Base interactions energy: -764.135 where: short stacking energy: -381.647 Base-Backbone interact. energy: -1.331 local terms energy: -577.229030 where: bonds (distance) C4'-P energy: -131.315 bonds (distance) P-C4' energy: -151.937 flat angles C4'-P-C4' energy: -122.787 flat angles P-C4'-P energy: -97.184 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: 7 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -795.260006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.260006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.260006 (E_RNA) where: Base-Base interactions energy: -370.180 where: short stacking energy: -229.327 Base-Backbone interact. energy: -1.238 local terms energy: -423.841816 where: bonds (distance) C4'-P energy: -133.723 bonds (distance) P-C4' energy: -133.615 flat angles C4'-P-C4' energy: -106.364 flat angles P-C4'-P energy: -55.443 tors. eta vs tors. theta energy: 5.302 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: 10, replica: 9 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -705.397514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.397514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.397514 (E_RNA) where: Base-Base interactions energy: -299.683 where: short stacking energy: -218.965 Base-Backbone interact. energy: -0.523 local terms energy: -405.190697 where: bonds (distance) C4'-P energy: -98.584 bonds (distance) P-C4' energy: -117.496 flat angles C4'-P-C4' energy: -124.278 flat angles P-C4'-P energy: -59.840 tors. eta vs tors. theta energy: -4.992 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: 1 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -2653.373736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.373736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.373736 (E_RNA) where: Base-Base interactions energy: -1799.346 where: short stacking energy: -772.216 Base-Backbone interact. energy: -0.214 local terms energy: -853.813802 where: bonds (distance) C4'-P energy: -152.211 bonds (distance) P-C4' energy: -162.263 flat angles C4'-P-C4' energy: -172.714 flat angles P-C4'-P energy: -131.780 tors. eta vs tors. theta energy: -234.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -2554.961929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.961929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.961929 (E_RNA) where: Base-Base interactions energy: -1719.506 where: short stacking energy: -740.281 Base-Backbone interact. energy: -1.740 local terms energy: -833.716085 where: bonds (distance) C4'-P energy: -149.866 bonds (distance) P-C4' energy: -163.177 flat angles C4'-P-C4' energy: -179.898 flat angles P-C4'-P energy: -119.606 tors. eta vs tors. theta energy: -221.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -2394.334818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.334818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.334818 (E_RNA) where: Base-Base interactions energy: -1612.003 where: short stacking energy: -704.210 Base-Backbone interact. energy: -0.555 local terms energy: -781.776733 where: bonds (distance) C4'-P energy: -147.504 bonds (distance) P-C4' energy: -165.951 flat angles C4'-P-C4' energy: -162.971 flat angles P-C4'-P energy: -101.826 tors. eta vs tors. theta energy: -203.525 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: 155 Temperature: 1.050000 Total energy: -2278.089097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.089097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.089097 (E_RNA) where: Base-Base interactions energy: -1539.983 where: short stacking energy: -667.760 Base-Backbone interact. energy: 2.163 local terms energy: -740.269225 where: bonds (distance) C4'-P energy: -129.735 bonds (distance) P-C4' energy: -158.309 flat angles C4'-P-C4' energy: -170.866 flat angles P-C4'-P energy: -104.819 tors. eta vs tors. theta energy: -176.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -1887.800885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.800885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.800885 (E_RNA) where: Base-Base interactions energy: -1249.802 where: short stacking energy: -547.690 Base-Backbone interact. energy: -0.825 local terms energy: -637.173295 where: bonds (distance) C4'-P energy: -141.391 bonds (distance) P-C4' energy: -130.288 flat angles C4'-P-C4' energy: -161.414 flat angles P-C4'-P energy: -81.366 tors. eta vs tors. theta energy: -122.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -1739.272431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.272431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.272431 (E_RNA) where: Base-Base interactions energy: -1130.862 where: short stacking energy: -509.080 Base-Backbone interact. energy: 2.717 local terms energy: -611.126817 where: bonds (distance) C4'-P energy: -139.320 bonds (distance) P-C4' energy: -141.627 flat angles C4'-P-C4' energy: -150.518 flat angles P-C4'-P energy: -74.503 tors. eta vs tors. theta energy: -105.159 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: 7, replica: 3 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1544.971376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.971376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.971376 (E_RNA) where: Base-Base interactions energy: -963.232 where: short stacking energy: -462.164 Base-Backbone interact. energy: 2.013 local terms energy: -583.752579 where: bonds (distance) C4'-P energy: -130.731 bonds (distance) P-C4' energy: -151.544 flat angles C4'-P-C4' energy: -138.239 flat angles P-C4'-P energy: -72.409 tors. eta vs tors. theta energy: -90.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -1380.190550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.190550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.190550 (E_RNA) where: Base-Base interactions energy: -841.989 where: short stacking energy: -400.870 Base-Backbone interact. energy: -0.903 local terms energy: -537.298505 where: bonds (distance) C4'-P energy: -126.884 bonds (distance) P-C4' energy: -125.522 flat angles C4'-P-C4' energy: -139.376 flat angles P-C4'-P energy: -82.710 tors. eta vs tors. theta energy: -62.806 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: 9, replica: 7 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -821.896470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.896470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.896470 (E_RNA) where: Base-Base interactions energy: -361.459 where: short stacking energy: -230.137 Base-Backbone interact. energy: 1.846 local terms energy: -462.282944 where: bonds (distance) C4'-P energy: -142.635 bonds (distance) P-C4' energy: -141.160 flat angles C4'-P-C4' energy: -110.020 flat angles P-C4'-P energy: -67.012 tors. eta vs tors. theta energy: -1.455 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: 9 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -666.535172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.535172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.535172 (E_RNA) where: Base-Base interactions energy: -290.711 where: short stacking energy: -214.110 Base-Backbone interact. energy: 3.349 local terms energy: -379.172872 where: bonds (distance) C4'-P energy: -114.201 bonds (distance) P-C4' energy: -147.702 flat angles C4'-P-C4' energy: -101.438 flat angles P-C4'-P energy: -55.474 tors. eta vs tors. theta energy: 39.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -2628.650729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.650729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.650729 (E_RNA) where: Base-Base interactions energy: -1776.614 where: short stacking energy: -770.541 Base-Backbone interact. energy: -0.088 local terms energy: -851.949152 where: bonds (distance) C4'-P energy: -172.869 bonds (distance) P-C4' energy: -177.696 flat angles C4'-P-C4' energy: -172.663 flat angles P-C4'-P energy: -111.733 tors. eta vs tors. theta energy: -216.989 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: 2, replica: 8 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -2514.015358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.015358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.015358 (E_RNA) where: Base-Base interactions energy: -1714.579 where: short stacking energy: -707.585 Base-Backbone interact. energy: -5.938 local terms energy: -793.498360 where: bonds (distance) C4'-P energy: -154.721 bonds (distance) P-C4' energy: -150.985 flat angles C4'-P-C4' energy: -170.540 flat angles P-C4'-P energy: -114.580 tors. eta vs tors. theta energy: -202.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -2409.976564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.976564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.976564 (E_RNA) where: Base-Base interactions energy: -1632.292 where: short stacking energy: -689.440 Base-Backbone interact. energy: 1.587 local terms energy: -779.271512 where: bonds (distance) C4'-P energy: -168.362 bonds (distance) P-C4' energy: -146.608 flat angles C4'-P-C4' energy: -160.695 flat angles P-C4'-P energy: -109.376 tors. eta vs tors. theta energy: -194.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -2324.122598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.122598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.122598 (E_RNA) where: Base-Base interactions energy: -1580.568 where: short stacking energy: -704.485 Base-Backbone interact. energy: -0.179 local terms energy: -743.375762 where: bonds (distance) C4'-P energy: -135.595 bonds (distance) P-C4' energy: -134.006 flat angles C4'-P-C4' energy: -178.334 flat angles P-C4'-P energy: -111.384 tors. eta vs tors. theta energy: -184.057 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: 10 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -1949.813847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.813847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.813847 (E_RNA) where: Base-Base interactions energy: -1282.564 where: short stacking energy: -556.885 Base-Backbone interact. energy: -3.239 local terms energy: -664.011470 where: bonds (distance) C4'-P energy: -142.385 bonds (distance) P-C4' energy: -138.481 flat angles C4'-P-C4' energy: -147.066 flat angles P-C4'-P energy: -89.749 tors. eta vs tors. theta energy: -146.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -1745.068845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.068845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.068845 (E_RNA) where: Base-Base interactions energy: -1108.040 where: short stacking energy: -494.671 Base-Backbone interact. energy: -2.023 local terms energy: -635.005705 where: bonds (distance) C4'-P energy: -129.057 bonds (distance) P-C4' energy: -159.288 flat angles C4'-P-C4' energy: -147.019 flat angles P-C4'-P energy: -87.952 tors. eta vs tors. theta energy: -111.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1566.765638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.765638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.765638 (E_RNA) where: Base-Base interactions energy: -962.425 where: short stacking energy: -463.509 Base-Backbone interact. energy: -3.285 local terms energy: -601.056097 where: bonds (distance) C4'-P energy: -128.710 bonds (distance) P-C4' energy: -131.728 flat angles C4'-P-C4' energy: -126.346 flat angles P-C4'-P energy: -93.996 tors. eta vs tors. theta energy: -120.276 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: 5 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1385.852018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.852018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.852018 (E_RNA) where: Base-Base interactions energy: -849.608 where: short stacking energy: -407.522 Base-Backbone interact. energy: -1.559 local terms energy: -534.685680 where: bonds (distance) C4'-P energy: -124.191 bonds (distance) P-C4' energy: -126.814 flat angles C4'-P-C4' energy: -128.901 flat angles P-C4'-P energy: -91.453 tors. eta vs tors. theta energy: -63.327 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: 9, replica: 7 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -815.482452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.482452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.482452 (E_RNA) where: Base-Base interactions energy: -377.129 where: short stacking energy: -242.382 Base-Backbone interact. energy: 3.291 local terms energy: -441.644120 where: bonds (distance) C4'-P energy: -117.135 bonds (distance) P-C4' energy: -143.236 flat angles C4'-P-C4' energy: -108.769 flat angles P-C4'-P energy: -74.569 tors. eta vs tors. theta energy: 2.065 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: 9 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -589.505712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.505712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.505712 (E_RNA) where: Base-Base interactions energy: -194.133 where: short stacking energy: -165.436 Base-Backbone interact. energy: 3.074 local terms energy: -398.446637 where: bonds (distance) C4'-P energy: -155.336 bonds (distance) P-C4' energy: -135.319 flat angles C4'-P-C4' energy: -102.683 flat angles P-C4'-P energy: -55.129 tors. eta vs tors. theta energy: 50.020 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: 1 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -2652.342700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.342700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.342700 (E_RNA) where: Base-Base interactions energy: -1793.471 where: short stacking energy: -797.350 Base-Backbone interact. energy: -3.394 local terms energy: -855.478080 where: bonds (distance) C4'-P energy: -166.771 bonds (distance) P-C4' energy: -150.621 flat angles C4'-P-C4' energy: -187.014 flat angles P-C4'-P energy: -126.110 tors. eta vs tors. theta energy: -224.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2564.245718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.245718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.245718 (E_RNA) where: Base-Base interactions energy: -1767.185 where: short stacking energy: -742.395 Base-Backbone interact. energy: -6.551 local terms energy: -790.509644 where: bonds (distance) C4'-P energy: -141.902 bonds (distance) P-C4' energy: -154.644 flat angles C4'-P-C4' energy: -173.352 flat angles P-C4'-P energy: -111.399 tors. eta vs tors. theta energy: -209.213 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: 3, replica: 4 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -2370.847669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.847669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.847669 (E_RNA) where: Base-Base interactions energy: -1606.788 where: short stacking energy: -699.011 Base-Backbone interact. energy: 1.535 local terms energy: -765.594643 where: bonds (distance) C4'-P energy: -149.472 bonds (distance) P-C4' energy: -144.731 flat angles C4'-P-C4' energy: -170.448 flat angles P-C4'-P energy: -121.006 tors. eta vs tors. theta energy: -179.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -2315.015186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.015186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.015186 (E_RNA) where: Base-Base interactions energy: -1558.678 where: short stacking energy: -688.125 Base-Backbone interact. energy: -0.588 local terms energy: -755.749180 where: bonds (distance) C4'-P energy: -131.098 bonds (distance) P-C4' energy: -148.382 flat angles C4'-P-C4' energy: -173.543 flat angles P-C4'-P energy: -106.674 tors. eta vs tors. theta energy: -196.052 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: 5, replica: 10 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -1975.485196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.485196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.485196 (E_RNA) where: Base-Base interactions energy: -1274.700 where: short stacking energy: -570.305 Base-Backbone interact. energy: -2.610 local terms energy: -698.175287 where: bonds (distance) C4'-P energy: -144.730 bonds (distance) P-C4' energy: -149.964 flat angles C4'-P-C4' energy: -153.375 flat angles P-C4'-P energy: -107.507 tors. eta vs tors. theta energy: -142.600 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: 6, replica: 6 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1756.023653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.023653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.023653 (E_RNA) where: Base-Base interactions energy: -1099.175 where: short stacking energy: -505.022 Base-Backbone interact. energy: -0.002 local terms energy: -656.847050 where: bonds (distance) C4'-P energy: -126.570 bonds (distance) P-C4' energy: -170.246 flat angles C4'-P-C4' energy: -141.899 flat angles P-C4'-P energy: -99.006 tors. eta vs tors. theta energy: -119.126 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: 7, replica: 3 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1570.846853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.846853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.846853 (E_RNA) where: Base-Base interactions energy: -976.245 where: short stacking energy: -444.566 Base-Backbone interact. energy: -1.537 local terms energy: -593.064468 where: bonds (distance) C4'-P energy: -146.438 bonds (distance) P-C4' energy: -145.957 flat angles C4'-P-C4' energy: -132.214 flat angles P-C4'-P energy: -83.648 tors. eta vs tors. theta energy: -84.807 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: 5 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1461.991931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.991931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.991931 (E_RNA) where: Base-Base interactions energy: -901.805 where: short stacking energy: -406.479 Base-Backbone interact. energy: -3.194 local terms energy: -556.992356 where: bonds (distance) C4'-P energy: -124.055 bonds (distance) P-C4' energy: -147.018 flat angles C4'-P-C4' energy: -142.209 flat angles P-C4'-P energy: -82.084 tors. eta vs tors. theta energy: -61.627 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: 9, replica: 7 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -824.063397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.063397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.063397 (E_RNA) where: Base-Base interactions energy: -365.440 where: short stacking energy: -224.387 Base-Backbone interact. energy: -3.089 local terms energy: -455.534369 where: bonds (distance) C4'-P energy: -125.254 bonds (distance) P-C4' energy: -119.488 flat angles C4'-P-C4' energy: -133.240 flat angles P-C4'-P energy: -70.635 tors. eta vs tors. theta energy: -6.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -623.823919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.823919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.823919 (E_RNA) where: Base-Base interactions energy: -214.175 where: short stacking energy: -150.919 Base-Backbone interact. energy: 2.292 local terms energy: -411.940448 where: bonds (distance) C4'-P energy: -146.367 bonds (distance) P-C4' energy: -128.287 flat angles C4'-P-C4' energy: -104.609 flat angles P-C4'-P energy: -79.805 tors. eta vs tors. theta energy: 47.127 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: 1, replica: 1 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -2677.261372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.261372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.261372 (E_RNA) where: Base-Base interactions energy: -1844.002 where: short stacking energy: -782.424 Base-Backbone interact. energy: 1.417 local terms energy: -834.675692 where: bonds (distance) C4'-P energy: -166.110 bonds (distance) P-C4' energy: -163.953 flat angles C4'-P-C4' energy: -179.611 flat angles P-C4'-P energy: -106.945 tors. eta vs tors. theta energy: -218.056 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: 8 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2550.719780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.719780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.719780 (E_RNA) where: Base-Base interactions energy: -1751.945 where: short stacking energy: -724.103 Base-Backbone interact. energy: -3.903 local terms energy: -794.871454 where: bonds (distance) C4'-P energy: -149.136 bonds (distance) P-C4' energy: -155.467 flat angles C4'-P-C4' energy: -179.437 flat angles P-C4'-P energy: -103.312 tors. eta vs tors. theta energy: -207.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -2418.665146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.665146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.665146 (E_RNA) where: Base-Base interactions energy: -1612.062 where: short stacking energy: -699.045 Base-Backbone interact. energy: -3.577 local terms energy: -803.026060 where: bonds (distance) C4'-P energy: -156.669 bonds (distance) P-C4' energy: -162.171 flat angles C4'-P-C4' energy: -167.123 flat angles P-C4'-P energy: -115.790 tors. eta vs tors. theta energy: -201.273 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: 4, replica: 2 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -2277.591735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.591735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.591735 (E_RNA) where: Base-Base interactions energy: -1543.426 where: short stacking energy: -689.426 Base-Backbone interact. energy: -0.662 local terms energy: -733.503255 where: bonds (distance) C4'-P energy: -143.251 bonds (distance) P-C4' energy: -132.391 flat angles C4'-P-C4' energy: -155.658 flat angles P-C4'-P energy: -121.400 tors. eta vs tors. theta energy: -180.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -2007.788377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.788377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.788377 (E_RNA) where: Base-Base interactions energy: -1320.105 where: short stacking energy: -569.847 Base-Backbone interact. energy: -4.018 local terms energy: -683.664503 where: bonds (distance) C4'-P energy: -125.812 bonds (distance) P-C4' energy: -145.058 flat angles C4'-P-C4' energy: -154.202 flat angles P-C4'-P energy: -98.377 tors. eta vs tors. theta energy: -160.215 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: 6 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -1888.779619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.779619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.779619 (E_RNA) where: Base-Base interactions energy: -1212.753 where: short stacking energy: -566.821 Base-Backbone interact. energy: 0.928 local terms energy: -676.955148 where: bonds (distance) C4'-P energy: -130.951 bonds (distance) P-C4' energy: -143.643 flat angles C4'-P-C4' energy: -145.454 flat angles P-C4'-P energy: -105.639 tors. eta vs tors. theta energy: -151.267 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: 3 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1599.776643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.776643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.776643 (E_RNA) where: Base-Base interactions energy: -1007.887 where: short stacking energy: -456.278 Base-Backbone interact. energy: -3.053 local terms energy: -588.835753 where: bonds (distance) C4'-P energy: -161.458 bonds (distance) P-C4' energy: -143.576 flat angles C4'-P-C4' energy: -113.871 flat angles P-C4'-P energy: -83.927 tors. eta vs tors. theta energy: -86.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1436.152163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.152163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.152163 (E_RNA) where: Base-Base interactions energy: -871.295 where: short stacking energy: -428.194 Base-Backbone interact. energy: -0.955 local terms energy: -563.902761 where: bonds (distance) C4'-P energy: -143.651 bonds (distance) P-C4' energy: -123.787 flat angles C4'-P-C4' energy: -135.903 flat angles P-C4'-P energy: -80.641 tors. eta vs tors. theta energy: -79.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -832.322767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.322767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.322767 (E_RNA) where: Base-Base interactions energy: -394.238 where: short stacking energy: -246.425 Base-Backbone interact. energy: 1.454 local terms energy: -439.538198 where: bonds (distance) C4'-P energy: -144.363 bonds (distance) P-C4' energy: -139.306 flat angles C4'-P-C4' energy: -94.714 flat angles P-C4'-P energy: -72.294 tors. eta vs tors. theta energy: 11.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -612.047525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.047525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.047525 (E_RNA) where: Base-Base interactions energy: -203.799 where: short stacking energy: -149.192 Base-Backbone interact. energy: 4.418 local terms energy: -412.666858 where: bonds (distance) C4'-P energy: -128.396 bonds (distance) P-C4' energy: -147.894 flat angles C4'-P-C4' energy: -124.409 flat angles P-C4'-P energy: -34.635 tors. eta vs tors. theta energy: 22.668 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: 1, replica: 1 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -2682.252248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.252248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.252248 (E_RNA) where: Base-Base interactions energy: -1827.851 where: short stacking energy: -756.697 Base-Backbone interact. energy: -3.648 local terms energy: -850.752400 where: bonds (distance) C4'-P energy: -158.153 bonds (distance) P-C4' energy: -167.841 flat angles C4'-P-C4' energy: -183.167 flat angles P-C4'-P energy: -118.473 tors. eta vs tors. theta energy: -223.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -2575.024509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.024509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.024509 (E_RNA) where: Base-Base interactions energy: -1777.293 where: short stacking energy: -748.251 Base-Backbone interact. energy: -3.675 local terms energy: -794.056891 where: bonds (distance) C4'-P energy: -138.917 bonds (distance) P-C4' energy: -154.463 flat angles C4'-P-C4' energy: -165.455 flat angles P-C4'-P energy: -121.980 tors. eta vs tors. theta energy: -213.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -2429.077165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.077165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.077165 (E_RNA) where: Base-Base interactions energy: -1651.479 where: short stacking energy: -711.409 Base-Backbone interact. energy: -3.935 local terms energy: -773.663129 where: bonds (distance) C4'-P energy: -146.528 bonds (distance) P-C4' energy: -155.743 flat angles C4'-P-C4' energy: -161.028 flat angles P-C4'-P energy: -108.717 tors. eta vs tors. theta energy: -201.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -2278.863549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.863549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.863549 (E_RNA) where: Base-Base interactions energy: -1536.410 where: short stacking energy: -678.921 Base-Backbone interact. energy: -5.546 local terms energy: -736.907164 where: bonds (distance) C4'-P energy: -138.254 bonds (distance) P-C4' energy: -136.248 flat angles C4'-P-C4' energy: -171.612 flat angles P-C4'-P energy: -105.824 tors. eta vs tors. theta energy: -184.969 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: 10 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1986.060288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.060288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.060288 (E_RNA) where: Base-Base interactions energy: -1256.046 where: short stacking energy: -547.197 Base-Backbone interact. energy: -2.552 local terms energy: -727.462216 where: bonds (distance) C4'-P energy: -154.241 bonds (distance) P-C4' energy: -154.261 flat angles C4'-P-C4' energy: -161.891 flat angles P-C4'-P energy: -99.673 tors. eta vs tors. theta energy: -157.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1805.410570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.410570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.410570 (E_RNA) where: Base-Base interactions energy: -1158.536 where: short stacking energy: -528.024 Base-Backbone interact. energy: 1.822 local terms energy: -648.696956 where: bonds (distance) C4'-P energy: -121.445 bonds (distance) P-C4' energy: -144.048 flat angles C4'-P-C4' energy: -160.956 flat angles P-C4'-P energy: -87.247 tors. eta vs tors. theta energy: -135.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1500.550083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.550083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.550083 (E_RNA) where: Base-Base interactions energy: -943.580 where: short stacking energy: -421.601 Base-Backbone interact. energy: 0.154 local terms energy: -557.124272 where: bonds (distance) C4'-P energy: -146.522 bonds (distance) P-C4' energy: -128.368 flat angles C4'-P-C4' energy: -120.450 flat angles P-C4'-P energy: -84.643 tors. eta vs tors. theta energy: -77.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1465.873792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.873792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.873792 (E_RNA) where: Base-Base interactions energy: -920.622 where: short stacking energy: -441.317 Base-Backbone interact. energy: 1.288 local terms energy: -546.539738 where: bonds (distance) C4'-P energy: -126.678 bonds (distance) P-C4' energy: -125.690 flat angles C4'-P-C4' energy: -127.236 flat angles P-C4'-P energy: -92.985 tors. eta vs tors. theta energy: -73.952 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: 9, replica: 7 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -894.656804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.656804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.656804 (E_RNA) where: Base-Base interactions energy: -481.030 where: short stacking energy: -291.988 Base-Backbone interact. energy: 0.246 local terms energy: -413.873559 where: bonds (distance) C4'-P energy: -102.384 bonds (distance) P-C4' energy: -114.131 flat angles C4'-P-C4' energy: -136.947 flat angles P-C4'-P energy: -72.517 tors. eta vs tors. theta energy: 12.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -591.339319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.339319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.339319 (E_RNA) where: Base-Base interactions energy: -189.774 where: short stacking energy: -173.602 Base-Backbone interact. energy: 2.445 local terms energy: -404.010216 where: bonds (distance) C4'-P energy: -120.004 bonds (distance) P-C4' energy: -130.191 flat angles C4'-P-C4' energy: -106.162 flat angles P-C4'-P energy: -70.902 tors. eta vs tors. theta energy: 23.249 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: 1, replica: 1 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -2597.491643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.491643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.491643 (E_RNA) where: Base-Base interactions energy: -1775.019 where: short stacking energy: -757.381 Base-Backbone interact. energy: -3.078 local terms energy: -819.394498 where: bonds (distance) C4'-P energy: -160.332 bonds (distance) P-C4' energy: -164.022 flat angles C4'-P-C4' energy: -185.513 flat angles P-C4'-P energy: -109.380 tors. eta vs tors. theta energy: -200.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -2556.934126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.934126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.934126 (E_RNA) where: Base-Base interactions energy: -1729.203 where: short stacking energy: -716.434 Base-Backbone interact. energy: -1.661 local terms energy: -826.070160 where: bonds (distance) C4'-P energy: -156.737 bonds (distance) P-C4' energy: -154.915 flat angles C4'-P-C4' energy: -180.310 flat angles P-C4'-P energy: -125.555 tors. eta vs tors. theta energy: -208.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -2404.523679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.523679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.523679 (E_RNA) where: Base-Base interactions energy: -1651.122 where: short stacking energy: -684.520 Base-Backbone interact. energy: -5.338 local terms energy: -748.063523 where: bonds (distance) C4'-P energy: -146.505 bonds (distance) P-C4' energy: -143.463 flat angles C4'-P-C4' energy: -156.301 flat angles P-C4'-P energy: -115.294 tors. eta vs tors. theta energy: -186.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -2270.560547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.560547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.560547 (E_RNA) where: Base-Base interactions energy: -1513.257 where: short stacking energy: -680.455 Base-Backbone interact. energy: 2.593 local terms energy: -759.897254 where: bonds (distance) C4'-P energy: -148.085 bonds (distance) P-C4' energy: -137.466 flat angles C4'-P-C4' energy: -176.701 flat angles P-C4'-P energy: -109.694 tors. eta vs tors. theta energy: -187.952 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: 5, replica: 10 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -1932.948770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.948770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.948770 (E_RNA) where: Base-Base interactions energy: -1263.592 where: short stacking energy: -564.912 Base-Backbone interact. energy: -2.986 local terms energy: -666.370606 where: bonds (distance) C4'-P energy: -146.361 bonds (distance) P-C4' energy: -135.066 flat angles C4'-P-C4' energy: -150.685 flat angles P-C4'-P energy: -100.682 tors. eta vs tors. theta energy: -133.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -1792.535767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.535767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.535767 (E_RNA) where: Base-Base interactions energy: -1134.797 where: short stacking energy: -520.025 Base-Backbone interact. energy: 9.153 local terms energy: -666.891826 where: bonds (distance) C4'-P energy: -155.354 bonds (distance) P-C4' energy: -153.812 flat angles C4'-P-C4' energy: -149.935 flat angles P-C4'-P energy: -89.699 tors. eta vs tors. theta energy: -118.092 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: 3 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1473.716893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.716893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.716893 (E_RNA) where: Base-Base interactions energy: -904.746 where: short stacking energy: -411.516 Base-Backbone interact. energy: 4.303 local terms energy: -573.274551 where: bonds (distance) C4'-P energy: -126.632 bonds (distance) P-C4' energy: -136.988 flat angles C4'-P-C4' energy: -143.722 flat angles P-C4'-P energy: -88.652 tors. eta vs tors. theta energy: -77.281 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: 5 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1366.701193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.701193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.701193 (E_RNA) where: Base-Base interactions energy: -804.471 where: short stacking energy: -388.296 Base-Backbone interact. energy: -1.425 local terms energy: -560.805835 where: bonds (distance) C4'-P energy: -141.731 bonds (distance) P-C4' energy: -144.133 flat angles C4'-P-C4' energy: -132.259 flat angles P-C4'-P energy: -81.329 tors. eta vs tors. theta energy: -61.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -883.890587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.890587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.890587 (E_RNA) where: Base-Base interactions energy: -428.727 where: short stacking energy: -285.164 Base-Backbone interact. energy: 0.278 local terms energy: -455.441818 where: bonds (distance) C4'-P energy: -131.305 bonds (distance) P-C4' energy: -114.488 flat angles C4'-P-C4' energy: -114.846 flat angles P-C4'-P energy: -78.245 tors. eta vs tors. theta energy: -16.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -608.672056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.672056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.672056 (E_RNA) where: Base-Base interactions energy: -222.582 where: short stacking energy: -165.430 Base-Backbone interact. energy: 11.709 local terms energy: -397.798489 where: bonds (distance) C4'-P energy: -118.889 bonds (distance) P-C4' energy: -135.895 flat angles C4'-P-C4' energy: -100.904 flat angles P-C4'-P energy: -74.755 tors. eta vs tors. theta energy: 32.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -2612.506140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.506140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.506140 (E_RNA) where: Base-Base interactions energy: -1788.346 where: short stacking energy: -761.217 Base-Backbone interact. energy: -2.865 local terms energy: -821.294658 where: bonds (distance) C4'-P energy: -166.431 bonds (distance) P-C4' energy: -157.050 flat angles C4'-P-C4' energy: -166.008 flat angles P-C4'-P energy: -121.093 tors. eta vs tors. theta energy: -210.712 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: 8 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -2574.636916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.636916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.636916 (E_RNA) where: Base-Base interactions energy: -1742.890 where: short stacking energy: -758.112 Base-Backbone interact. energy: -2.686 local terms energy: -829.060598 where: bonds (distance) C4'-P energy: -168.136 bonds (distance) P-C4' energy: -159.849 flat angles C4'-P-C4' energy: -166.812 flat angles P-C4'-P energy: -124.722 tors. eta vs tors. theta energy: -209.541 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: 4 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -2346.080728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.080728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.080728 (E_RNA) where: Base-Base interactions energy: -1570.943 where: short stacking energy: -652.542 Base-Backbone interact. energy: -5.653 local terms energy: -769.485076 where: bonds (distance) C4'-P energy: -137.135 bonds (distance) P-C4' energy: -141.596 flat angles C4'-P-C4' energy: -171.509 flat angles P-C4'-P energy: -130.306 tors. eta vs tors. theta energy: -188.939 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: 4, replica: 2 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -2237.454203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.454203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.454203 (E_RNA) where: Base-Base interactions energy: -1475.883 where: short stacking energy: -662.129 Base-Backbone interact. energy: -0.715 local terms energy: -760.856768 where: bonds (distance) C4'-P energy: -158.929 bonds (distance) P-C4' energy: -142.168 flat angles C4'-P-C4' energy: -162.927 flat angles P-C4'-P energy: -107.041 tors. eta vs tors. theta energy: -189.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -1982.506404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.506404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.506404 (E_RNA) where: Base-Base interactions energy: -1278.690 where: short stacking energy: -552.077 Base-Backbone interact. energy: -3.650 local terms energy: -700.165804 where: bonds (distance) C4'-P energy: -153.366 bonds (distance) P-C4' energy: -155.353 flat angles C4'-P-C4' energy: -140.350 flat angles P-C4'-P energy: -109.029 tors. eta vs tors. theta energy: -142.068 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: 6 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1748.208221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.208221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.208221 (E_RNA) where: Base-Base interactions energy: -1143.616 where: short stacking energy: -511.940 Base-Backbone interact. energy: -3.286 local terms energy: -601.305802 where: bonds (distance) C4'-P energy: -127.932 bonds (distance) P-C4' energy: -132.526 flat angles C4'-P-C4' energy: -142.543 flat angles P-C4'-P energy: -88.352 tors. eta vs tors. theta energy: -109.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1429.303913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.303913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.303913 (E_RNA) where: Base-Base interactions energy: -869.934 where: short stacking energy: -412.370 Base-Backbone interact. energy: 5.287 local terms energy: -564.656819 where: bonds (distance) C4'-P energy: -136.464 bonds (distance) P-C4' energy: -144.996 flat angles C4'-P-C4' energy: -118.589 flat angles P-C4'-P energy: -82.683 tors. eta vs tors. theta energy: -81.925 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: 8, replica: 5 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1391.749731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.749731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.749731 (E_RNA) where: Base-Base interactions energy: -826.063 where: short stacking energy: -413.899 Base-Backbone interact. energy: -1.263 local terms energy: -564.424179 where: bonds (distance) C4'-P energy: -119.177 bonds (distance) P-C4' energy: -146.207 flat angles C4'-P-C4' energy: -128.325 flat angles P-C4'-P energy: -83.837 tors. eta vs tors. theta energy: -86.878 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: 9, replica: 7 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -830.941707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.941707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.941707 (E_RNA) where: Base-Base interactions energy: -387.118 where: short stacking energy: -229.825 Base-Backbone interact. energy: 0.825 local terms energy: -444.648830 where: bonds (distance) C4'-P energy: -127.308 bonds (distance) P-C4' energy: -124.499 flat angles C4'-P-C4' energy: -124.856 flat angles P-C4'-P energy: -72.826 tors. eta vs tors. theta energy: 4.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -594.585244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.585244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.585244 (E_RNA) where: Base-Base interactions energy: -194.711 where: short stacking energy: -178.452 Base-Backbone interact. energy: 4.615 local terms energy: -404.489433 where: bonds (distance) C4'-P energy: -130.837 bonds (distance) P-C4' energy: -123.241 flat angles C4'-P-C4' energy: -110.820 flat angles P-C4'-P energy: -79.168 tors. eta vs tors. theta energy: 39.575 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: 1 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -2633.321129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.321129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.321129 (E_RNA) where: Base-Base interactions energy: -1819.612 where: short stacking energy: -775.596 Base-Backbone interact. energy: -1.131 local terms energy: -812.577594 where: bonds (distance) C4'-P energy: -159.670 bonds (distance) P-C4' energy: -148.736 flat angles C4'-P-C4' energy: -165.373 flat angles P-C4'-P energy: -117.554 tors. eta vs tors. theta energy: -221.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -2522.940207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.940207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.940207 (E_RNA) where: Base-Base interactions energy: -1714.608 where: short stacking energy: -726.228 Base-Backbone interact. energy: -9.363 local terms energy: -798.968983 where: bonds (distance) C4'-P energy: -151.365 bonds (distance) P-C4' energy: -165.110 flat angles C4'-P-C4' energy: -168.081 flat angles P-C4'-P energy: -108.376 tors. eta vs tors. theta energy: -206.036 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: 162 Temperature: 1.000000 Total energy: -2410.611814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.611814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.611814 (E_RNA) where: Base-Base interactions energy: -1641.542 where: short stacking energy: -721.926 Base-Backbone interact. energy: -4.342 local terms energy: -764.727680 where: bonds (distance) C4'-P energy: -141.442 bonds (distance) P-C4' energy: -148.812 flat angles C4'-P-C4' energy: -162.607 flat angles P-C4'-P energy: -111.757 tors. eta vs tors. theta energy: -200.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -2261.941608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.941608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.941608 (E_RNA) where: Base-Base interactions energy: -1505.029 where: short stacking energy: -666.008 Base-Backbone interact. energy: -2.188 local terms energy: -754.725211 where: bonds (distance) C4'-P energy: -141.592 bonds (distance) P-C4' energy: -129.580 flat angles C4'-P-C4' energy: -164.421 flat angles P-C4'-P energy: -126.891 tors. eta vs tors. theta energy: -192.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -2039.477256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.477256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.477256 (E_RNA) where: Base-Base interactions energy: -1313.329 where: short stacking energy: -589.281 Base-Backbone interact. energy: -4.125 local terms energy: -722.023193 where: bonds (distance) C4'-P energy: -155.080 bonds (distance) P-C4' energy: -150.897 flat angles C4'-P-C4' energy: -163.843 flat angles P-C4'-P energy: -94.084 tors. eta vs tors. theta energy: -158.118 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: 6 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -1742.154127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.154127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.154127 (E_RNA) where: Base-Base interactions energy: -1090.688 where: short stacking energy: -498.880 Base-Backbone interact. energy: -2.990 local terms energy: -648.475947 where: bonds (distance) C4'-P energy: -128.190 bonds (distance) P-C4' energy: -149.317 flat angles C4'-P-C4' energy: -143.640 flat angles P-C4'-P energy: -106.902 tors. eta vs tors. theta energy: -120.426 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: 7, replica: 3 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1483.897584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.897584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.897584 (E_RNA) where: Base-Base interactions energy: -909.968 where: short stacking energy: -435.719 Base-Backbone interact. energy: -0.030 local terms energy: -573.899047 where: bonds (distance) C4'-P energy: -140.136 bonds (distance) P-C4' energy: -139.845 flat angles C4'-P-C4' energy: -131.199 flat angles P-C4'-P energy: -90.404 tors. eta vs tors. theta energy: -72.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1408.282874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.282874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.282874 (E_RNA) where: Base-Base interactions energy: -833.663 where: short stacking energy: -384.839 Base-Backbone interact. energy: 2.540 local terms energy: -577.159586 where: bonds (distance) C4'-P energy: -141.912 bonds (distance) P-C4' energy: -146.690 flat angles C4'-P-C4' energy: -139.490 flat angles P-C4'-P energy: -75.368 tors. eta vs tors. theta energy: -73.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -915.471690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.471690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.471690 (E_RNA) where: Base-Base interactions energy: -482.538 where: short stacking energy: -248.519 Base-Backbone interact. energy: 1.532 local terms energy: -434.465296 where: bonds (distance) C4'-P energy: -145.831 bonds (distance) P-C4' energy: -125.240 flat angles C4'-P-C4' energy: -102.743 flat angles P-C4'-P energy: -62.783 tors. eta vs tors. theta energy: 2.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -588.889945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.889945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.889945 (E_RNA) where: Base-Base interactions energy: -192.728 where: short stacking energy: -155.753 Base-Backbone interact. energy: 2.666 local terms energy: -398.827999 where: bonds (distance) C4'-P energy: -120.536 bonds (distance) P-C4' energy: -128.288 flat angles C4'-P-C4' energy: -113.750 flat angles P-C4'-P energy: -67.697 tors. eta vs tors. theta energy: 31.444 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: 1, replica: 1 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -2646.874441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.874441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.874441 (E_RNA) where: Base-Base interactions energy: -1826.219 where: short stacking energy: -768.046 Base-Backbone interact. energy: 2.121 local terms energy: -822.777018 where: bonds (distance) C4'-P energy: -169.802 bonds (distance) P-C4' energy: -169.980 flat angles C4'-P-C4' energy: -170.721 flat angles P-C4'-P energy: -109.208 tors. eta vs tors. theta energy: -203.066 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: 2, replica: 8 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -2530.584875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.584875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.584875 (E_RNA) where: Base-Base interactions energy: -1735.719 where: short stacking energy: -738.495 Base-Backbone interact. energy: -2.367 local terms energy: -792.499258 where: bonds (distance) C4'-P energy: -144.071 bonds (distance) P-C4' energy: -141.027 flat angles C4'-P-C4' energy: -166.645 flat angles P-C4'-P energy: -128.460 tors. eta vs tors. theta energy: -212.297 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: 4 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -2422.315548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.315548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.315548 (E_RNA) where: Base-Base interactions energy: -1622.388 where: short stacking energy: -696.890 Base-Backbone interact. energy: -3.990 local terms energy: -795.937045 where: bonds (distance) C4'-P energy: -148.717 bonds (distance) P-C4' energy: -159.122 flat angles C4'-P-C4' energy: -175.125 flat angles P-C4'-P energy: -112.288 tors. eta vs tors. theta energy: -200.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -2279.724143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.724143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.724143 (E_RNA) where: Base-Base interactions energy: -1526.326 where: short stacking energy: -676.979 Base-Backbone interact. energy: -1.614 local terms energy: -751.784154 where: bonds (distance) C4'-P energy: -147.302 bonds (distance) P-C4' energy: -151.846 flat angles C4'-P-C4' energy: -168.503 flat angles P-C4'-P energy: -96.555 tors. eta vs tors. theta energy: -187.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -1907.251376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.251376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.251376 (E_RNA) where: Base-Base interactions energy: -1246.149 where: short stacking energy: -543.584 Base-Backbone interact. energy: 4.563 local terms energy: -665.665310 where: bonds (distance) C4'-P energy: -131.304 bonds (distance) P-C4' energy: -156.052 flat angles C4'-P-C4' energy: -163.612 flat angles P-C4'-P energy: -80.413 tors. eta vs tors. theta energy: -134.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -1793.814651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.814651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.814651 (E_RNA) where: Base-Base interactions energy: -1145.281 where: short stacking energy: -513.021 Base-Backbone interact. energy: -4.629 local terms energy: -643.904658 where: bonds (distance) C4'-P energy: -131.090 bonds (distance) P-C4' energy: -141.627 flat angles C4'-P-C4' energy: -161.559 flat angles P-C4'-P energy: -78.366 tors. eta vs tors. theta energy: -131.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1443.477167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.477167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.477167 (E_RNA) where: Base-Base interactions energy: -870.670 where: short stacking energy: -431.670 Base-Backbone interact. energy: -1.885 local terms energy: -570.921926 where: bonds (distance) C4'-P energy: -129.883 bonds (distance) P-C4' energy: -139.354 flat angles C4'-P-C4' energy: -136.037 flat angles P-C4'-P energy: -81.971 tors. eta vs tors. theta energy: -83.677 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: 5 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1454.830111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.830111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.830111 (E_RNA) where: Base-Base interactions energy: -866.454 where: short stacking energy: -406.844 Base-Backbone interact. energy: -0.601 local terms energy: -587.775330 where: bonds (distance) C4'-P energy: -145.691 bonds (distance) P-C4' energy: -139.054 flat angles C4'-P-C4' energy: -147.816 flat angles P-C4'-P energy: -87.984 tors. eta vs tors. theta energy: -67.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -923.641190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.641190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.641190 (E_RNA) where: Base-Base interactions energy: -470.179 where: short stacking energy: -255.867 Base-Backbone interact. energy: 1.989 local terms energy: -455.451039 where: bonds (distance) C4'-P energy: -113.878 bonds (distance) P-C4' energy: -139.996 flat angles C4'-P-C4' energy: -124.447 flat angles P-C4'-P energy: -80.648 tors. eta vs tors. theta energy: 3.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -583.259996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.259996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.259996 (E_RNA) where: Base-Base interactions energy: -173.477 where: short stacking energy: -143.550 Base-Backbone interact. energy: -2.420 local terms energy: -407.362221 where: bonds (distance) C4'-P energy: -128.424 bonds (distance) P-C4' energy: -151.481 flat angles C4'-P-C4' energy: -99.006 flat angles P-C4'-P energy: -68.628 tors. eta vs tors. theta energy: 40.178 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: 1, replica: 1 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -2644.614635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.614635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.614635 (E_RNA) where: Base-Base interactions energy: -1804.797 where: short stacking energy: -769.166 Base-Backbone interact. energy: -1.251 local terms energy: -838.566149 where: bonds (distance) C4'-P energy: -165.565 bonds (distance) P-C4' energy: -157.437 flat angles C4'-P-C4' energy: -182.428 flat angles P-C4'-P energy: -122.079 tors. eta vs tors. theta energy: -211.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2552.861454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.861454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.861454 (E_RNA) where: Base-Base interactions energy: -1722.771 where: short stacking energy: -734.809 Base-Backbone interact. energy: -5.682 local terms energy: -824.408454 where: bonds (distance) C4'-P energy: -160.982 bonds (distance) P-C4' energy: -148.108 flat angles C4'-P-C4' energy: -183.323 flat angles P-C4'-P energy: -122.343 tors. eta vs tors. theta energy: -209.652 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: 3, replica: 4 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -2416.730953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.730953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.730953 (E_RNA) where: Base-Base interactions energy: -1637.072 where: short stacking energy: -720.354 Base-Backbone interact. energy: -3.960 local terms energy: -775.699297 where: bonds (distance) C4'-P energy: -155.227 bonds (distance) P-C4' energy: -150.352 flat angles C4'-P-C4' energy: -163.397 flat angles P-C4'-P energy: -95.147 tors. eta vs tors. theta energy: -211.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -2305.627920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.627920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.627920 (E_RNA) where: Base-Base interactions energy: -1554.940 where: short stacking energy: -739.590 Base-Backbone interact. energy: 0.188 local terms energy: -750.876224 where: bonds (distance) C4'-P energy: -138.127 bonds (distance) P-C4' energy: -161.276 flat angles C4'-P-C4' energy: -152.603 flat angles P-C4'-P energy: -87.347 tors. eta vs tors. theta energy: -211.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1969.745418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.745418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.745418 (E_RNA) where: Base-Base interactions energy: -1269.049 where: short stacking energy: -565.118 Base-Backbone interact. energy: -1.720 local terms energy: -698.976752 where: bonds (distance) C4'-P energy: -138.348 bonds (distance) P-C4' energy: -163.637 flat angles C4'-P-C4' energy: -147.087 flat angles P-C4'-P energy: -100.601 tors. eta vs tors. theta energy: -149.303 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: 6 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -1759.191395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.191395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.191395 (E_RNA) where: Base-Base interactions energy: -1107.935 where: short stacking energy: -518.124 Base-Backbone interact. energy: 2.057 local terms energy: -653.313540 where: bonds (distance) C4'-P energy: -145.537 bonds (distance) P-C4' energy: -122.073 flat angles C4'-P-C4' energy: -159.153 flat angles P-C4'-P energy: -114.176 tors. eta vs tors. theta energy: -112.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1438.599798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.599798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.599798 (E_RNA) where: Base-Base interactions energy: -860.792 where: short stacking energy: -415.858 Base-Backbone interact. energy: -4.516 local terms energy: -573.292382 where: bonds (distance) C4'-P energy: -109.546 bonds (distance) P-C4' energy: -150.636 flat angles C4'-P-C4' energy: -142.344 flat angles P-C4'-P energy: -89.058 tors. eta vs tors. theta energy: -81.709 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: 3 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1302.443553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.443553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.443553 (E_RNA) where: Base-Base interactions energy: -776.600 where: short stacking energy: -344.593 Base-Backbone interact. energy: -1.133 local terms energy: -524.710184 where: bonds (distance) C4'-P energy: -134.966 bonds (distance) P-C4' energy: -146.471 flat angles C4'-P-C4' energy: -115.766 flat angles P-C4'-P energy: -73.202 tors. eta vs tors. theta energy: -54.305 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: 7 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -917.959180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.959180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.959180 (E_RNA) where: Base-Base interactions energy: -458.850 where: short stacking energy: -255.813 Base-Backbone interact. energy: 3.537 local terms energy: -462.646742 where: bonds (distance) C4'-P energy: -136.996 bonds (distance) P-C4' energy: -108.064 flat angles C4'-P-C4' energy: -132.076 flat angles P-C4'-P energy: -77.711 tors. eta vs tors. theta energy: -7.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -610.841298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.841298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.841298 (E_RNA) where: Base-Base interactions energy: -230.641 where: short stacking energy: -185.380 Base-Backbone interact. energy: 6.413 local terms energy: -386.613775 where: bonds (distance) C4'-P energy: -117.486 bonds (distance) P-C4' energy: -135.042 flat angles C4'-P-C4' energy: -117.692 flat angles P-C4'-P energy: -46.647 tors. eta vs tors. theta energy: 30.252 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: 1, replica: 1 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -2633.128244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.128244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.128244 (E_RNA) where: Base-Base interactions energy: -1786.665 where: short stacking energy: -755.541 Base-Backbone interact. energy: -2.839 local terms energy: -843.625076 where: bonds (distance) C4'-P energy: -163.342 bonds (distance) P-C4' energy: -169.283 flat angles C4'-P-C4' energy: -170.153 flat angles P-C4'-P energy: -125.789 tors. eta vs tors. theta energy: -215.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2507.449193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.449193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.449193 (E_RNA) where: Base-Base interactions energy: -1690.211 where: short stacking energy: -697.086 Base-Backbone interact. energy: -0.045 local terms energy: -817.193617 where: bonds (distance) C4'-P energy: -166.894 bonds (distance) P-C4' energy: -162.660 flat angles C4'-P-C4' energy: -185.085 flat angles P-C4'-P energy: -107.340 tors. eta vs tors. theta energy: -195.215 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: 3, replica: 4 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -2435.697604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.697604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.697604 (E_RNA) where: Base-Base interactions energy: -1671.641 where: short stacking energy: -722.618 Base-Backbone interact. energy: -4.225 local terms energy: -759.831717 where: bonds (distance) C4'-P energy: -138.966 bonds (distance) P-C4' energy: -153.565 flat angles C4'-P-C4' energy: -160.302 flat angles P-C4'-P energy: -98.343 tors. eta vs tors. theta energy: -208.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -2332.151281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.151281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.151281 (E_RNA) where: Base-Base interactions energy: -1569.004 where: short stacking energy: -703.475 Base-Backbone interact. energy: -3.239 local terms energy: -759.908120 where: bonds (distance) C4'-P energy: -153.967 bonds (distance) P-C4' energy: -131.383 flat angles C4'-P-C4' energy: -170.304 flat angles P-C4'-P energy: -101.394 tors. eta vs tors. theta energy: -202.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -1929.610786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.610786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.610786 (E_RNA) where: Base-Base interactions energy: -1239.776 where: short stacking energy: -570.002 Base-Backbone interact. energy: -0.318 local terms energy: -689.516750 where: bonds (distance) C4'-P energy: -148.500 bonds (distance) P-C4' energy: -148.709 flat angles C4'-P-C4' energy: -155.630 flat angles P-C4'-P energy: -101.604 tors. eta vs tors. theta energy: -135.074 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: 6, replica: 6 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1774.530853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.530853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.530853 (E_RNA) where: Base-Base interactions energy: -1116.172 where: short stacking energy: -496.665 Base-Backbone interact. energy: -5.031 local terms energy: -653.328024 where: bonds (distance) C4'-P energy: -150.047 bonds (distance) P-C4' energy: -144.697 flat angles C4'-P-C4' energy: -155.550 flat angles P-C4'-P energy: -88.294 tors. eta vs tors. theta energy: -114.740 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: 7, replica: 5 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1503.791786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.791786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.791786 (E_RNA) where: Base-Base interactions energy: -892.715 where: short stacking energy: -411.337 Base-Backbone interact. energy: -5.710 local terms energy: -605.366422 where: bonds (distance) C4'-P energy: -131.449 bonds (distance) P-C4' energy: -158.662 flat angles C4'-P-C4' energy: -137.191 flat angles P-C4'-P energy: -90.574 tors. eta vs tors. theta energy: -87.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1403.597214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.597214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.597214 (E_RNA) where: Base-Base interactions energy: -863.565 where: short stacking energy: -417.646 Base-Backbone interact. energy: -2.194 local terms energy: -537.838045 where: bonds (distance) C4'-P energy: -108.741 bonds (distance) P-C4' energy: -134.843 flat angles C4'-P-C4' energy: -146.450 flat angles P-C4'-P energy: -72.421 tors. eta vs tors. theta energy: -75.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -917.116790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.116790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.116790 (E_RNA) where: Base-Base interactions energy: -478.307 where: short stacking energy: -261.923 Base-Backbone interact. energy: -1.507 local terms energy: -437.302140 where: bonds (distance) C4'-P energy: -138.755 bonds (distance) P-C4' energy: -142.164 flat angles C4'-P-C4' energy: -118.203 flat angles P-C4'-P energy: -38.628 tors. eta vs tors. theta energy: 0.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -604.548478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.548478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.548478 (E_RNA) where: Base-Base interactions energy: -180.601 where: short stacking energy: -141.112 Base-Backbone interact. energy: -1.844 local terms energy: -422.103474 where: bonds (distance) C4'-P energy: -124.987 bonds (distance) P-C4' energy: -135.030 flat angles C4'-P-C4' energy: -122.135 flat angles P-C4'-P energy: -64.388 tors. eta vs tors. theta energy: 24.437 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: 1 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -2646.441968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.441968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.441968 (E_RNA) where: Base-Base interactions energy: -1826.399 where: short stacking energy: -759.814 Base-Backbone interact. energy: -0.723 local terms energy: -819.320156 where: bonds (distance) C4'-P energy: -148.584 bonds (distance) P-C4' energy: -162.407 flat angles C4'-P-C4' energy: -184.312 flat angles P-C4'-P energy: -111.144 tors. eta vs tors. theta energy: -212.874 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: 166 Temperature: 0.950000 Total energy: -2516.314721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.314721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.314721 (E_RNA) where: Base-Base interactions energy: -1713.494 where: short stacking energy: -698.742 Base-Backbone interact. energy: 0.532 local terms energy: -803.353088 where: bonds (distance) C4'-P energy: -155.736 bonds (distance) P-C4' energy: -152.637 flat angles C4'-P-C4' energy: -180.375 flat angles P-C4'-P energy: -116.972 tors. eta vs tors. theta energy: -197.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -2476.385442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.385442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.385442 (E_RNA) where: Base-Base interactions energy: -1672.677 where: short stacking energy: -726.505 Base-Backbone interact. energy: -6.492 local terms energy: -797.216559 where: bonds (distance) C4'-P energy: -166.186 bonds (distance) P-C4' energy: -146.763 flat angles C4'-P-C4' energy: -177.114 flat angles P-C4'-P energy: -104.283 tors. eta vs tors. theta energy: -202.870 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: 4, replica: 2 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -2306.487206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.487206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.487206 (E_RNA) where: Base-Base interactions energy: -1539.068 where: short stacking energy: -672.080 Base-Backbone interact. energy: 1.543 local terms energy: -768.962497 where: bonds (distance) C4'-P energy: -150.630 bonds (distance) P-C4' energy: -157.219 flat angles C4'-P-C4' energy: -159.556 flat angles P-C4'-P energy: -104.189 tors. eta vs tors. theta energy: -197.369 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: 10 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -1938.396003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.396003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.396003 (E_RNA) where: Base-Base interactions energy: -1239.020 where: short stacking energy: -581.175 Base-Backbone interact. energy: -1.594 local terms energy: -697.781588 where: bonds (distance) C4'-P energy: -138.245 bonds (distance) P-C4' energy: -142.357 flat angles C4'-P-C4' energy: -137.028 flat angles P-C4'-P energy: -118.289 tors. eta vs tors. theta energy: -161.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1789.179219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.179219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.179219 (E_RNA) where: Base-Base interactions energy: -1131.822 where: short stacking energy: -514.931 Base-Backbone interact. energy: 5.205 local terms energy: -662.562933 where: bonds (distance) C4'-P energy: -148.492 bonds (distance) P-C4' energy: -163.048 flat angles C4'-P-C4' energy: -147.860 flat angles P-C4'-P energy: -90.779 tors. eta vs tors. theta energy: -112.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1455.529720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.529720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.529720 (E_RNA) where: Base-Base interactions energy: -891.411 where: short stacking energy: -432.723 Base-Backbone interact. energy: -2.894 local terms energy: -561.224445 where: bonds (distance) C4'-P energy: -102.145 bonds (distance) P-C4' energy: -136.151 flat angles C4'-P-C4' energy: -139.100 flat angles P-C4'-P energy: -98.504 tors. eta vs tors. theta energy: -85.324 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: 3 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1336.182969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.182969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.182969 (E_RNA) where: Base-Base interactions energy: -779.845 where: short stacking energy: -394.959 Base-Backbone interact. energy: -0.319 local terms energy: -556.018851 where: bonds (distance) C4'-P energy: -137.693 bonds (distance) P-C4' energy: -134.019 flat angles C4'-P-C4' energy: -126.827 flat angles P-C4'-P energy: -86.140 tors. eta vs tors. theta energy: -71.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -823.108582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.108582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.108582 (E_RNA) where: Base-Base interactions energy: -373.512 where: short stacking energy: -230.520 Base-Backbone interact. energy: 7.594 local terms energy: -457.190945 where: bonds (distance) C4'-P energy: -127.386 bonds (distance) P-C4' energy: -129.285 flat angles C4'-P-C4' energy: -128.194 flat angles P-C4'-P energy: -74.976 tors. eta vs tors. theta energy: 2.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -599.588143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.588143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.588143 (E_RNA) where: Base-Base interactions energy: -187.872 where: short stacking energy: -161.852 Base-Backbone interact. energy: 2.020 local terms energy: -413.736218 where: bonds (distance) C4'-P energy: -149.878 bonds (distance) P-C4' energy: -108.158 flat angles C4'-P-C4' energy: -126.502 flat angles P-C4'-P energy: -49.262 tors. eta vs tors. theta energy: 20.063 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: 1, replica: 1 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -2622.531663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.531663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.531663 (E_RNA) where: Base-Base interactions energy: -1788.367 where: short stacking energy: -762.217 Base-Backbone interact. energy: -6.303 local terms energy: -827.861648 where: bonds (distance) C4'-P energy: -157.289 bonds (distance) P-C4' energy: -155.151 flat angles C4'-P-C4' energy: -183.656 flat angles P-C4'-P energy: -114.011 tors. eta vs tors. theta energy: -217.754 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: 2, replica: 8 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -2508.248768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.248768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.248768 (E_RNA) where: Base-Base interactions energy: -1677.852 where: short stacking energy: -698.015 Base-Backbone interact. energy: -5.604 local terms energy: -824.792925 where: bonds (distance) C4'-P energy: -158.198 bonds (distance) P-C4' energy: -154.393 flat angles C4'-P-C4' energy: -179.844 flat angles P-C4'-P energy: -127.022 tors. eta vs tors. theta energy: -205.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -2434.459000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.459000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.459000 (E_RNA) where: Base-Base interactions energy: -1655.175 where: short stacking energy: -720.907 Base-Backbone interact. energy: -1.875 local terms energy: -777.408509 where: bonds (distance) C4'-P energy: -157.637 bonds (distance) P-C4' energy: -148.106 flat angles C4'-P-C4' energy: -152.962 flat angles P-C4'-P energy: -119.699 tors. eta vs tors. theta energy: -199.004 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: 4, replica: 2 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -2287.315875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.315875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.315875 (E_RNA) where: Base-Base interactions energy: -1537.233 where: short stacking energy: -668.848 Base-Backbone interact. energy: -1.994 local terms energy: -748.088177 where: bonds (distance) C4'-P energy: -154.652 bonds (distance) P-C4' energy: -143.625 flat angles C4'-P-C4' energy: -157.245 flat angles P-C4'-P energy: -99.103 tors. eta vs tors. theta energy: -193.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -1942.738714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.738714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.738714 (E_RNA) where: Base-Base interactions energy: -1254.035 where: short stacking energy: -565.584 Base-Backbone interact. energy: 2.857 local terms energy: -691.560720 where: bonds (distance) C4'-P energy: -144.394 bonds (distance) P-C4' energy: -123.795 flat angles C4'-P-C4' energy: -161.939 flat angles P-C4'-P energy: -114.314 tors. eta vs tors. theta energy: -147.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1793.170547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.170547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.170547 (E_RNA) where: Base-Base interactions energy: -1134.144 where: short stacking energy: -528.751 Base-Backbone interact. energy: -0.639 local terms energy: -658.386902 where: bonds (distance) C4'-P energy: -148.475 bonds (distance) P-C4' energy: -144.267 flat angles C4'-P-C4' energy: -155.509 flat angles P-C4'-P energy: -82.271 tors. eta vs tors. theta energy: -127.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1415.162324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.162324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.162324 (E_RNA) where: Base-Base interactions energy: -851.563 where: short stacking energy: -433.566 Base-Backbone interact. energy: 5.051 local terms energy: -568.650232 where: bonds (distance) C4'-P energy: -133.766 bonds (distance) P-C4' energy: -132.535 flat angles C4'-P-C4' energy: -138.799 flat angles P-C4'-P energy: -74.028 tors. eta vs tors. theta energy: -89.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1302.828938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.828938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.828938 (E_RNA) where: Base-Base interactions energy: -790.147 where: short stacking energy: -374.565 Base-Backbone interact. energy: -0.588 local terms energy: -512.094771 where: bonds (distance) C4'-P energy: -142.826 bonds (distance) P-C4' energy: -130.399 flat angles C4'-P-C4' energy: -119.537 flat angles P-C4'-P energy: -74.064 tors. eta vs tors. theta energy: -45.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -775.080719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.080719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.080719 (E_RNA) where: Base-Base interactions energy: -328.061 where: short stacking energy: -240.565 Base-Backbone interact. energy: 9.527 local terms energy: -456.546681 where: bonds (distance) C4'-P energy: -143.381 bonds (distance) P-C4' energy: -130.126 flat angles C4'-P-C4' energy: -98.966 flat angles P-C4'-P energy: -83.384 tors. eta vs tors. theta energy: -0.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -588.227338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.227338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.227338 (E_RNA) where: Base-Base interactions energy: -194.012 where: short stacking energy: -145.842 Base-Backbone interact. energy: 1.205 local terms energy: -395.420361 where: bonds (distance) C4'-P energy: -149.448 bonds (distance) P-C4' energy: -121.770 flat angles C4'-P-C4' energy: -93.485 flat angles P-C4'-P energy: -68.809 tors. eta vs tors. theta energy: 38.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -2644.275571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.275571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.275571 (E_RNA) where: Base-Base interactions energy: -1818.006 where: short stacking energy: -753.932 Base-Backbone interact. energy: -0.925 local terms energy: -825.343875 where: bonds (distance) C4'-P energy: -155.433 bonds (distance) P-C4' energy: -161.759 flat angles C4'-P-C4' energy: -182.159 flat angles P-C4'-P energy: -120.083 tors. eta vs tors. theta energy: -205.909 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: 8 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -2516.497987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.497987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.497987 (E_RNA) where: Base-Base interactions energy: -1714.677 where: short stacking energy: -748.114 Base-Backbone interact. energy: 4.857 local terms energy: -806.677326 where: bonds (distance) C4'-P energy: -153.388 bonds (distance) P-C4' energy: -147.085 flat angles C4'-P-C4' energy: -169.245 flat angles P-C4'-P energy: -129.162 tors. eta vs tors. theta energy: -207.798 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: 3, replica: 4 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -2448.335885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.335885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.335885 (E_RNA) where: Base-Base interactions energy: -1645.134 where: short stacking energy: -732.785 Base-Backbone interact. energy: -4.930 local terms energy: -798.271848 where: bonds (distance) C4'-P energy: -145.410 bonds (distance) P-C4' energy: -156.245 flat angles C4'-P-C4' energy: -166.602 flat angles P-C4'-P energy: -126.694 tors. eta vs tors. theta energy: -203.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -2349.721970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.721970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.721970 (E_RNA) where: Base-Base interactions energy: -1589.057 where: short stacking energy: -681.718 Base-Backbone interact. energy: -4.892 local terms energy: -755.772981 where: bonds (distance) C4'-P energy: -149.553 bonds (distance) P-C4' energy: -135.579 flat angles C4'-P-C4' energy: -173.711 flat angles P-C4'-P energy: -91.568 tors. eta vs tors. theta energy: -205.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -1931.016452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.016452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.016452 (E_RNA) where: Base-Base interactions energy: -1262.350 where: short stacking energy: -554.378 Base-Backbone interact. energy: -1.650 local terms energy: -667.015973 where: bonds (distance) C4'-P energy: -133.272 bonds (distance) P-C4' energy: -137.174 flat angles C4'-P-C4' energy: -151.544 flat angles P-C4'-P energy: -96.163 tors. eta vs tors. theta energy: -148.863 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: 6 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1845.257658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.257658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.257658 (E_RNA) where: Base-Base interactions energy: -1176.746 where: short stacking energy: -519.709 Base-Backbone interact. energy: -0.790 local terms energy: -667.721900 where: bonds (distance) C4'-P energy: -142.891 bonds (distance) P-C4' energy: -143.470 flat angles C4'-P-C4' energy: -156.894 flat angles P-C4'-P energy: -86.909 tors. eta vs tors. theta energy: -137.558 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: 7, replica: 5 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1497.917850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.917850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.917850 (E_RNA) where: Base-Base interactions energy: -925.694 where: short stacking energy: -417.830 Base-Backbone interact. energy: -3.153 local terms energy: -569.070540 where: bonds (distance) C4'-P energy: -139.849 bonds (distance) P-C4' energy: -141.274 flat angles C4'-P-C4' energy: -147.009 flat angles P-C4'-P energy: -59.757 tors. eta vs tors. theta energy: -81.181 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: 8, replica: 3 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1340.181036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.181036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.181036 (E_RNA) where: Base-Base interactions energy: -800.787 where: short stacking energy: -346.057 Base-Backbone interact. energy: 1.183 local terms energy: -540.576748 where: bonds (distance) C4'-P energy: -139.608 bonds (distance) P-C4' energy: -147.140 flat angles C4'-P-C4' energy: -134.587 flat angles P-C4'-P energy: -71.654 tors. eta vs tors. theta energy: -47.587 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: 9, replica: 7 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -790.868037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.868037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.868037 (E_RNA) where: Base-Base interactions energy: -334.232 where: short stacking energy: -226.789 Base-Backbone interact. energy: -2.923 local terms energy: -453.713360 where: bonds (distance) C4'-P energy: -126.772 bonds (distance) P-C4' energy: -144.308 flat angles C4'-P-C4' energy: -116.745 flat angles P-C4'-P energy: -72.865 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: 10, replica: 9 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -621.865771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.865771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.865771 (E_RNA) where: Base-Base interactions energy: -228.170 where: short stacking energy: -170.218 Base-Backbone interact. energy: 4.202 local terms energy: -397.897887 where: bonds (distance) C4'-P energy: -139.769 bonds (distance) P-C4' energy: -127.690 flat angles C4'-P-C4' energy: -86.717 flat angles P-C4'-P energy: -84.250 tors. eta vs tors. theta energy: 40.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -2651.194317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.194317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.194317 (E_RNA) where: Base-Base interactions energy: -1806.471 where: short stacking energy: -749.635 Base-Backbone interact. energy: -3.390 local terms energy: -841.333521 where: bonds (distance) C4'-P energy: -169.100 bonds (distance) P-C4' energy: -152.923 flat angles C4'-P-C4' energy: -185.431 flat angles P-C4'-P energy: -124.785 tors. eta vs tors. theta energy: -209.096 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: 8 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -2553.731876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.731876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.731876 (E_RNA) where: Base-Base interactions energy: -1736.931 where: short stacking energy: -709.854 Base-Backbone interact. energy: -4.831 local terms energy: -811.969901 where: bonds (distance) C4'-P energy: -163.968 bonds (distance) P-C4' energy: -161.919 flat angles C4'-P-C4' energy: -167.197 flat angles P-C4'-P energy: -124.501 tors. eta vs tors. theta energy: -194.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -2497.628282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.628282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.628282 (E_RNA) where: Base-Base interactions energy: -1686.010 where: short stacking energy: -727.633 Base-Backbone interact. energy: -0.988 local terms energy: -810.630120 where: bonds (distance) C4'-P energy: -146.969 bonds (distance) P-C4' energy: -151.252 flat angles C4'-P-C4' energy: -183.098 flat angles P-C4'-P energy: -110.018 tors. eta vs tors. theta energy: -219.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -2317.099893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.099893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.099893 (E_RNA) where: Base-Base interactions energy: -1579.355 where: short stacking energy: -669.785 Base-Backbone interact. energy: -3.902 local terms energy: -733.842513 where: bonds (distance) C4'-P energy: -150.066 bonds (distance) P-C4' energy: -158.193 flat angles C4'-P-C4' energy: -160.726 flat angles P-C4'-P energy: -86.631 tors. eta vs tors. theta energy: -178.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -1954.486158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.486158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.486158 (E_RNA) where: Base-Base interactions energy: -1270.518 where: short stacking energy: -556.011 Base-Backbone interact. energy: 0.916 local terms energy: -684.884240 where: bonds (distance) C4'-P energy: -152.143 bonds (distance) P-C4' energy: -149.534 flat angles C4'-P-C4' energy: -158.329 flat angles P-C4'-P energy: -86.553 tors. eta vs tors. theta energy: -138.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -1796.208359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.208359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.208359 (E_RNA) where: Base-Base interactions energy: -1186.270 where: short stacking energy: -529.090 Base-Backbone interact. energy: -0.400 local terms energy: -609.537627 where: bonds (distance) C4'-P energy: -123.175 bonds (distance) P-C4' energy: -144.843 flat angles C4'-P-C4' energy: -140.346 flat angles P-C4'-P energy: -91.300 tors. eta vs tors. theta energy: -109.873 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: 5 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1528.351048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.351048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.351048 (E_RNA) where: Base-Base interactions energy: -953.929 where: short stacking energy: -436.119 Base-Backbone interact. energy: 2.251 local terms energy: -576.672741 where: bonds (distance) C4'-P energy: -117.256 bonds (distance) P-C4' energy: -122.497 flat angles C4'-P-C4' energy: -146.337 flat angles P-C4'-P energy: -97.030 tors. eta vs tors. theta energy: -93.553 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: 8, replica: 3 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1302.683328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.683328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.683328 (E_RNA) where: Base-Base interactions energy: -782.095 where: short stacking energy: -370.973 Base-Backbone interact. energy: 1.406 local terms energy: -521.993631 where: bonds (distance) C4'-P energy: -131.146 bonds (distance) P-C4' energy: -134.073 flat angles C4'-P-C4' energy: -118.208 flat angles P-C4'-P energy: -75.243 tors. eta vs tors. theta energy: -63.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -778.690777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.690777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.690777 (E_RNA) where: Base-Base interactions energy: -337.607 where: short stacking energy: -217.201 Base-Backbone interact. energy: 0.885 local terms energy: -441.968996 where: bonds (distance) C4'-P energy: -123.907 bonds (distance) P-C4' energy: -120.406 flat angles C4'-P-C4' energy: -111.674 flat angles P-C4'-P energy: -85.356 tors. eta vs tors. theta energy: -0.626 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: 10, replica: 9 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -629.002313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.002313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.002313 (E_RNA) where: Base-Base interactions energy: -221.813 where: short stacking energy: -190.210 Base-Backbone interact. energy: -0.876 local terms energy: -406.314163 where: bonds (distance) C4'-P energy: -123.505 bonds (distance) P-C4' energy: -142.224 flat angles C4'-P-C4' energy: -90.137 flat angles P-C4'-P energy: -62.596 tors. eta vs tors. theta energy: 12.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -2626.896243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.896243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.896243 (E_RNA) where: Base-Base interactions energy: -1788.732 where: short stacking energy: -755.787 Base-Backbone interact. energy: -2.983 local terms energy: -835.181439 where: bonds (distance) C4'-P energy: -152.403 bonds (distance) P-C4' energy: -170.834 flat angles C4'-P-C4' energy: -187.469 flat angles P-C4'-P energy: -105.460 tors. eta vs tors. theta energy: -219.016 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: 8 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2526.869088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.869088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.869088 (E_RNA) where: Base-Base interactions energy: -1737.371 where: short stacking energy: -732.867 Base-Backbone interact. energy: -3.689 local terms energy: -785.809740 where: bonds (distance) C4'-P energy: -151.867 bonds (distance) P-C4' energy: -160.679 flat angles C4'-P-C4' energy: -158.454 flat angles P-C4'-P energy: -119.486 tors. eta vs tors. theta energy: -195.324 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: 4 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -2465.958060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.958060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.958060 (E_RNA) where: Base-Base interactions energy: -1647.670 where: short stacking energy: -709.735 Base-Backbone interact. energy: -5.313 local terms energy: -812.975518 where: bonds (distance) C4'-P energy: -135.265 bonds (distance) P-C4' energy: -169.312 flat angles C4'-P-C4' energy: -174.594 flat angles P-C4'-P energy: -127.032 tors. eta vs tors. theta energy: -206.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -2360.635628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.635628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.635628 (E_RNA) where: Base-Base interactions energy: -1596.210 where: short stacking energy: -693.957 Base-Backbone interact. energy: -1.512 local terms energy: -762.913568 where: bonds (distance) C4'-P energy: -127.093 bonds (distance) P-C4' energy: -161.529 flat angles C4'-P-C4' energy: -163.144 flat angles P-C4'-P energy: -109.638 tors. eta vs tors. theta energy: -201.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -1921.465813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.465813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.465813 (E_RNA) where: Base-Base interactions energy: -1257.641 where: short stacking energy: -572.563 Base-Backbone interact. energy: -0.448 local terms energy: -663.377342 where: bonds (distance) C4'-P energy: -123.388 bonds (distance) P-C4' energy: -138.645 flat angles C4'-P-C4' energy: -160.411 flat angles P-C4'-P energy: -102.046 tors. eta vs tors. theta energy: -138.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -1856.587862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.587862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.587862 (E_RNA) where: Base-Base interactions energy: -1227.137 where: short stacking energy: -511.904 Base-Backbone interact. energy: -2.790 local terms energy: -626.661693 where: bonds (distance) C4'-P energy: -127.093 bonds (distance) P-C4' energy: -124.473 flat angles C4'-P-C4' energy: -148.475 flat angles P-C4'-P energy: -97.525 tors. eta vs tors. theta energy: -129.096 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: 7, replica: 5 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1481.328835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.328835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.328835 (E_RNA) where: Base-Base interactions energy: -933.592 where: short stacking energy: -449.018 Base-Backbone interact. energy: 4.882 local terms energy: -552.619051 where: bonds (distance) C4'-P energy: -119.584 bonds (distance) P-C4' energy: -125.730 flat angles C4'-P-C4' energy: -144.527 flat angles P-C4'-P energy: -72.021 tors. eta vs tors. theta energy: -90.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1337.513580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.513580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.513580 (E_RNA) where: Base-Base interactions energy: -783.383 where: short stacking energy: -380.725 Base-Backbone interact. energy: 2.690 local terms energy: -556.820935 where: bonds (distance) C4'-P energy: -132.774 bonds (distance) P-C4' energy: -143.086 flat angles C4'-P-C4' energy: -145.495 flat angles P-C4'-P energy: -81.825 tors. eta vs tors. theta energy: -53.640 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: 9, replica: 7 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -774.747792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.747792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.747792 (E_RNA) where: Base-Base interactions energy: -338.702 where: short stacking energy: -219.452 Base-Backbone interact. energy: -0.929 local terms energy: -435.117313 where: bonds (distance) C4'-P energy: -120.664 bonds (distance) P-C4' energy: -163.752 flat angles C4'-P-C4' energy: -116.259 flat angles P-C4'-P energy: -51.363 tors. eta vs tors. theta energy: 16.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -654.271655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.271655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.271655 (E_RNA) where: Base-Base interactions energy: -231.690 where: short stacking energy: -179.904 Base-Backbone interact. energy: 4.678 local terms energy: -427.260504 where: bonds (distance) C4'-P energy: -133.808 bonds (distance) P-C4' energy: -149.180 flat angles C4'-P-C4' energy: -104.473 flat angles P-C4'-P energy: -60.036 tors. eta vs tors. theta energy: 20.235 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: 1, replica: 1 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -2645.742267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.742267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.742267 (E_RNA) where: Base-Base interactions energy: -1820.923 where: short stacking energy: -726.202 Base-Backbone interact. energy: -4.709 local terms energy: -820.110849 where: bonds (distance) C4'-P energy: -141.065 bonds (distance) P-C4' energy: -169.364 flat angles C4'-P-C4' energy: -188.492 flat angles P-C4'-P energy: -115.343 tors. eta vs tors. theta energy: -205.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -2524.658992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.658992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.658992 (E_RNA) where: Base-Base interactions energy: -1736.579 where: short stacking energy: -735.459 Base-Backbone interact. energy: -5.649 local terms energy: -782.431638 where: bonds (distance) C4'-P energy: -157.339 bonds (distance) P-C4' energy: -161.930 flat angles C4'-P-C4' energy: -163.248 flat angles P-C4'-P energy: -102.273 tors. eta vs tors. theta energy: -197.641 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: 3, replica: 4 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -2460.744024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.744024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.744024 (E_RNA) where: Base-Base interactions energy: -1643.318 where: short stacking energy: -730.079 Base-Backbone interact. energy: -1.457 local terms energy: -815.969537 where: bonds (distance) C4'-P energy: -137.435 bonds (distance) P-C4' energy: -170.197 flat angles C4'-P-C4' energy: -180.454 flat angles P-C4'-P energy: -114.407 tors. eta vs tors. theta energy: -213.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -2392.681665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.681665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.681665 (E_RNA) where: Base-Base interactions energy: -1590.648 where: short stacking energy: -663.383 Base-Backbone interact. energy: 0.644 local terms energy: -802.677910 where: bonds (distance) C4'-P energy: -146.247 bonds (distance) P-C4' energy: -163.362 flat angles C4'-P-C4' energy: -188.965 flat angles P-C4'-P energy: -104.117 tors. eta vs tors. theta energy: -199.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -1935.821898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.821898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.821898 (E_RNA) where: Base-Base interactions energy: -1250.003 where: short stacking energy: -550.150 Base-Backbone interact. energy: 0.349 local terms energy: -686.168321 where: bonds (distance) C4'-P energy: -164.483 bonds (distance) P-C4' energy: -140.044 flat angles C4'-P-C4' energy: -157.256 flat angles P-C4'-P energy: -86.912 tors. eta vs tors. theta energy: -137.473 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: 6, replica: 6 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -1869.439152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.439152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.439152 (E_RNA) where: Base-Base interactions energy: -1232.023 where: short stacking energy: -528.899 Base-Backbone interact. energy: -3.033 local terms energy: -634.383003 where: bonds (distance) C4'-P energy: -127.815 bonds (distance) P-C4' energy: -136.301 flat angles C4'-P-C4' energy: -148.782 flat angles P-C4'-P energy: -92.195 tors. eta vs tors. theta energy: -129.289 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: 5 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1503.397328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.397328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.397328 (E_RNA) where: Base-Base interactions energy: -899.895 where: short stacking energy: -431.292 Base-Backbone interact. energy: 1.073 local terms energy: -604.574671 where: bonds (distance) C4'-P energy: -133.721 bonds (distance) P-C4' energy: -152.861 flat angles C4'-P-C4' energy: -155.824 flat angles P-C4'-P energy: -81.602 tors. eta vs tors. theta energy: -80.566 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: 8, replica: 3 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1308.250567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.250567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.250567 (E_RNA) where: Base-Base interactions energy: -762.334 where: short stacking energy: -358.684 Base-Backbone interact. energy: -1.929 local terms energy: -543.988122 where: bonds (distance) C4'-P energy: -144.504 bonds (distance) P-C4' energy: -122.255 flat angles C4'-P-C4' energy: -128.424 flat angles P-C4'-P energy: -84.349 tors. eta vs tors. theta energy: -64.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -788.011165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.011165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.011165 (E_RNA) where: Base-Base interactions energy: -352.575 where: short stacking energy: -201.358 Base-Backbone interact. energy: 3.696 local terms energy: -439.132200 where: bonds (distance) C4'-P energy: -117.940 bonds (distance) P-C4' energy: -146.967 flat angles C4'-P-C4' energy: -126.653 flat angles P-C4'-P energy: -58.238 tors. eta vs tors. theta energy: 10.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -604.157478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.157478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.157478 (E_RNA) where: Base-Base interactions energy: -191.268 where: short stacking energy: -172.101 Base-Backbone interact. energy: 1.645 local terms energy: -414.533914 where: bonds (distance) C4'-P energy: -121.955 bonds (distance) P-C4' energy: -130.733 flat angles C4'-P-C4' energy: -113.336 flat angles P-C4'-P energy: -79.089 tors. eta vs tors. theta energy: 30.579 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: 1 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -2659.138227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.138227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.138227 (E_RNA) where: Base-Base interactions energy: -1821.958 where: short stacking energy: -731.114 Base-Backbone interact. energy: -8.580 local terms energy: -828.600247 where: bonds (distance) C4'-P energy: -156.116 bonds (distance) P-C4' energy: -158.570 flat angles C4'-P-C4' energy: -176.965 flat angles P-C4'-P energy: -128.141 tors. eta vs tors. theta energy: -208.808 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: 8 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -2583.958605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.958605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.958605 (E_RNA) where: Base-Base interactions energy: -1770.682 where: short stacking energy: -724.331 Base-Backbone interact. energy: -4.638 local terms energy: -808.638587 where: bonds (distance) C4'-P energy: -151.817 bonds (distance) P-C4' energy: -146.915 flat angles C4'-P-C4' energy: -185.428 flat angles P-C4'-P energy: -115.814 tors. eta vs tors. theta energy: -208.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -2449.597650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.597650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.597650 (E_RNA) where: Base-Base interactions energy: -1675.814 where: short stacking energy: -741.575 Base-Backbone interact. energy: -3.674 local terms energy: -770.110009 where: bonds (distance) C4'-P energy: -128.581 bonds (distance) P-C4' energy: -150.350 flat angles C4'-P-C4' energy: -176.593 flat angles P-C4'-P energy: -102.327 tors. eta vs tors. theta energy: -212.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -2335.098674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.098674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.098674 (E_RNA) where: Base-Base interactions energy: -1577.496 where: short stacking energy: -670.869 Base-Backbone interact. energy: -4.429 local terms energy: -753.173324 where: bonds (distance) C4'-P energy: -130.512 bonds (distance) P-C4' energy: -167.587 flat angles C4'-P-C4' energy: -160.771 flat angles P-C4'-P energy: -96.841 tors. eta vs tors. theta energy: -197.462 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: 5, replica: 10 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -1943.944404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.944404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.944404 (E_RNA) where: Base-Base interactions energy: -1253.292 where: short stacking energy: -543.599 Base-Backbone interact. energy: -5.265 local terms energy: -685.387927 where: bonds (distance) C4'-P energy: -150.878 bonds (distance) P-C4' energy: -144.293 flat angles C4'-P-C4' energy: -160.521 flat angles P-C4'-P energy: -94.706 tors. eta vs tors. theta energy: -134.990 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: 6 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -1838.967980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.967980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.967980 (E_RNA) where: Base-Base interactions energy: -1164.126 where: short stacking energy: -501.460 Base-Backbone interact. energy: -2.461 local terms energy: -672.381253 where: bonds (distance) C4'-P energy: -141.036 bonds (distance) P-C4' energy: -149.874 flat angles C4'-P-C4' energy: -141.142 flat angles P-C4'-P energy: -97.081 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: 7, replica: 5 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1484.503974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.503974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.503974 (E_RNA) where: Base-Base interactions energy: -935.768 where: short stacking energy: -489.298 Base-Backbone interact. energy: -1.717 local terms energy: -547.018316 where: bonds (distance) C4'-P energy: -106.300 bonds (distance) P-C4' energy: -145.168 flat angles C4'-P-C4' energy: -140.395 flat angles P-C4'-P energy: -70.523 tors. eta vs tors. theta energy: -84.632 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: 172 Temperature: 1.250000 Total energy: -1341.817885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.817885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.817885 (E_RNA) where: Base-Base interactions energy: -842.534 where: short stacking energy: -430.683 Base-Backbone interact. energy: 3.343 local terms energy: -502.627080 where: bonds (distance) C4'-P energy: -100.781 bonds (distance) P-C4' energy: -151.944 flat angles C4'-P-C4' energy: -127.184 flat angles P-C4'-P energy: -58.289 tors. eta vs tors. theta energy: -64.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -781.569538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.569538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.569538 (E_RNA) where: Base-Base interactions energy: -329.636 where: short stacking energy: -210.058 Base-Backbone interact. energy: -4.823 local terms energy: -447.110971 where: bonds (distance) C4'-P energy: -132.676 bonds (distance) P-C4' energy: -147.669 flat angles C4'-P-C4' energy: -123.177 flat angles P-C4'-P energy: -60.212 tors. eta vs tors. theta energy: 16.623 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: 10, replica: 9 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -583.855021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.855021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.855021 (E_RNA) where: Base-Base interactions energy: -170.930 where: short stacking energy: -142.896 Base-Backbone interact. energy: 2.616 local terms energy: -415.540861 where: bonds (distance) C4'-P energy: -149.034 bonds (distance) P-C4' energy: -117.951 flat angles C4'-P-C4' energy: -115.498 flat angles P-C4'-P energy: -68.270 tors. eta vs tors. theta energy: 35.212 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: 1 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -2654.124928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.124928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.124928 (E_RNA) where: Base-Base interactions energy: -1829.482 where: short stacking energy: -740.037 Base-Backbone interact. energy: -1.842 local terms energy: -822.801178 where: bonds (distance) C4'-P energy: -158.202 bonds (distance) P-C4' energy: -174.412 flat angles C4'-P-C4' energy: -169.725 flat angles P-C4'-P energy: -125.324 tors. eta vs tors. theta energy: -195.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2603.611070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.611070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.611070 (E_RNA) where: Base-Base interactions energy: -1766.597 where: short stacking energy: -747.127 Base-Backbone interact. energy: -1.075 local terms energy: -835.939338 where: bonds (distance) C4'-P energy: -165.380 bonds (distance) P-C4' energy: -163.312 flat angles C4'-P-C4' energy: -183.263 flat angles P-C4'-P energy: -124.065 tors. eta vs tors. theta energy: -199.919 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: 4 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -2411.495206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.495206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.495206 (E_RNA) where: Base-Base interactions energy: -1654.048 where: short stacking energy: -734.399 Base-Backbone interact. energy: -4.410 local terms energy: -753.036852 where: bonds (distance) C4'-P energy: -134.818 bonds (distance) P-C4' energy: -138.330 flat angles C4'-P-C4' energy: -164.947 flat angles P-C4'-P energy: -106.555 tors. eta vs tors. theta energy: -208.387 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: 2 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -2352.227063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.227063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.227063 (E_RNA) where: Base-Base interactions energy: -1576.781 where: short stacking energy: -673.535 Base-Backbone interact. energy: -2.861 local terms energy: -772.584660 where: bonds (distance) C4'-P energy: -163.672 bonds (distance) P-C4' energy: -156.381 flat angles C4'-P-C4' energy: -164.081 flat angles P-C4'-P energy: -96.732 tors. eta vs tors. theta energy: -191.718 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: 5, replica: 10 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -1939.425438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.425438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.425438 (E_RNA) where: Base-Base interactions energy: -1272.887 where: short stacking energy: -541.210 Base-Backbone interact. energy: -5.167 local terms energy: -661.371484 where: bonds (distance) C4'-P energy: -126.208 bonds (distance) P-C4' energy: -157.183 flat angles C4'-P-C4' energy: -155.517 flat angles P-C4'-P energy: -99.526 tors. eta vs tors. theta energy: -122.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -1835.449267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.449267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.449267 (E_RNA) where: Base-Base interactions energy: -1175.073 where: short stacking energy: -507.111 Base-Backbone interact. energy: -0.615 local terms energy: -659.760412 where: bonds (distance) C4'-P energy: -144.321 bonds (distance) P-C4' energy: -147.524 flat angles C4'-P-C4' energy: -157.946 flat angles P-C4'-P energy: -74.334 tors. eta vs tors. theta energy: -135.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1442.659610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.659610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.659610 (E_RNA) where: Base-Base interactions energy: -881.235 where: short stacking energy: -402.985 Base-Backbone interact. energy: 2.216 local terms energy: -563.640665 where: bonds (distance) C4'-P energy: -110.648 bonds (distance) P-C4' energy: -142.444 flat angles C4'-P-C4' energy: -151.068 flat angles P-C4'-P energy: -76.708 tors. eta vs tors. theta energy: -82.772 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: 3 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1290.870091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.870091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.870091 (E_RNA) where: Base-Base interactions energy: -758.522 where: short stacking energy: -368.603 Base-Backbone interact. energy: 0.971 local terms energy: -533.319153 where: bonds (distance) C4'-P energy: -134.536 bonds (distance) P-C4' energy: -137.905 flat angles C4'-P-C4' energy: -129.909 flat angles P-C4'-P energy: -75.927 tors. eta vs tors. theta energy: -55.044 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: 7 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -776.317657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.317657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.317657 (E_RNA) where: Base-Base interactions energy: -360.630 where: short stacking energy: -224.717 Base-Backbone interact. energy: -0.717 local terms energy: -414.970203 where: bonds (distance) C4'-P energy: -114.221 bonds (distance) P-C4' energy: -130.750 flat angles C4'-P-C4' energy: -106.022 flat angles P-C4'-P energy: -69.529 tors. eta vs tors. theta energy: 5.552 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: 10, replica: 9 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -615.781022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.781022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.781022 (E_RNA) where: Base-Base interactions energy: -210.411 where: short stacking energy: -163.830 Base-Backbone interact. energy: -2.740 local terms energy: -402.629662 where: bonds (distance) C4'-P energy: -137.245 bonds (distance) P-C4' energy: -149.780 flat angles C4'-P-C4' energy: -77.694 flat angles P-C4'-P energy: -66.743 tors. eta vs tors. theta energy: 28.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -2668.366809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.366809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.366809 (E_RNA) where: Base-Base interactions energy: -1841.221 where: short stacking energy: -765.239 Base-Backbone interact. energy: -4.275 local terms energy: -822.870782 where: bonds (distance) C4'-P energy: -154.972 bonds (distance) P-C4' energy: -157.624 flat angles C4'-P-C4' energy: -183.272 flat angles P-C4'-P energy: -120.816 tors. eta vs tors. theta energy: -206.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2571.974747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.974747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.974747 (E_RNA) where: Base-Base interactions energy: -1787.574 where: short stacking energy: -732.437 Base-Backbone interact. energy: 5.377 local terms energy: -789.777095 where: bonds (distance) C4'-P energy: -144.555 bonds (distance) P-C4' energy: -153.527 flat angles C4'-P-C4' energy: -177.766 flat angles P-C4'-P energy: -111.321 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: 3, replica: 4 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -2438.440780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.440780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.440780 (E_RNA) where: Base-Base interactions energy: -1646.367 where: short stacking energy: -683.433 Base-Backbone interact. energy: -2.787 local terms energy: -789.286816 where: bonds (distance) C4'-P energy: -162.808 bonds (distance) P-C4' energy: -160.260 flat angles C4'-P-C4' energy: -158.681 flat angles P-C4'-P energy: -117.254 tors. eta vs tors. theta energy: -190.284 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: 4, replica: 2 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -2366.588168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.588168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.588168 (E_RNA) where: Base-Base interactions energy: -1612.315 where: short stacking energy: -705.205 Base-Backbone interact. energy: -0.263 local terms energy: -754.009493 where: bonds (distance) C4'-P energy: -142.161 bonds (distance) P-C4' energy: -142.025 flat angles C4'-P-C4' energy: -174.317 flat angles P-C4'-P energy: -107.161 tors. eta vs tors. theta energy: -188.346 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: 10 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -1990.770443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.770443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.770443 (E_RNA) where: Base-Base interactions energy: -1295.994 where: short stacking energy: -576.530 Base-Backbone interact. energy: -1.410 local terms energy: -693.366645 where: bonds (distance) C4'-P energy: -149.924 bonds (distance) P-C4' energy: -138.486 flat angles C4'-P-C4' energy: -157.022 flat angles P-C4'-P energy: -101.116 tors. eta vs tors. theta energy: -146.818 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: 6 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -1907.782124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.782124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.782124 (E_RNA) where: Base-Base interactions energy: -1229.900 where: short stacking energy: -552.430 Base-Backbone interact. energy: -2.433 local terms energy: -675.449084 where: bonds (distance) C4'-P energy: -135.381 bonds (distance) P-C4' energy: -153.532 flat angles C4'-P-C4' energy: -156.121 flat angles P-C4'-P energy: -91.203 tors. eta vs tors. theta energy: -139.212 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: 7, replica: 5 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1498.409158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.409158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.409158 (E_RNA) where: Base-Base interactions energy: -893.027 where: short stacking energy: -422.205 Base-Backbone interact. energy: -3.237 local terms energy: -602.145584 where: bonds (distance) C4'-P energy: -137.081 bonds (distance) P-C4' energy: -142.893 flat angles C4'-P-C4' energy: -147.906 flat angles P-C4'-P energy: -80.986 tors. eta vs tors. theta energy: -93.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -1310.373722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.373722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.373722 (E_RNA) where: Base-Base interactions energy: -767.591 where: short stacking energy: -400.253 Base-Backbone interact. energy: 1.562 local terms energy: -544.344412 where: bonds (distance) C4'-P energy: -142.183 bonds (distance) P-C4' energy: -124.741 flat angles C4'-P-C4' energy: -127.437 flat angles P-C4'-P energy: -75.852 tors. eta vs tors. theta energy: -74.131 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: 9, replica: 7 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -723.402878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.402878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.402878 (E_RNA) where: Base-Base interactions energy: -342.435 where: short stacking energy: -231.308 Base-Backbone interact. energy: 1.553 local terms energy: -382.520671 where: bonds (distance) C4'-P energy: -119.123 bonds (distance) P-C4' energy: -123.558 flat angles C4'-P-C4' energy: -104.717 flat angles P-C4'-P energy: -52.685 tors. eta vs tors. theta energy: 17.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -700.525441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.525441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.525441 (E_RNA) where: Base-Base interactions energy: -268.764 where: short stacking energy: -227.083 Base-Backbone interact. energy: 2.968 local terms energy: -434.728872 where: bonds (distance) C4'-P energy: -128.505 bonds (distance) P-C4' energy: -127.704 flat angles C4'-P-C4' energy: -114.602 flat angles P-C4'-P energy: -62.997 tors. eta vs tors. theta energy: -0.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -2658.955760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.955760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.955760 (E_RNA) where: Base-Base interactions energy: -1857.653 where: short stacking energy: -768.914 Base-Backbone interact. energy: 4.568 local terms energy: -805.870974 where: bonds (distance) C4'-P energy: -159.597 bonds (distance) P-C4' energy: -145.675 flat angles C4'-P-C4' energy: -179.097 flat angles P-C4'-P energy: -107.939 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: 175 Temperature: 0.950000 Total energy: -2591.855883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.855883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.855883 (E_RNA) where: Base-Base interactions energy: -1793.971 where: short stacking energy: -760.698 Base-Backbone interact. energy: -4.347 local terms energy: -793.537026 where: bonds (distance) C4'-P energy: -142.314 bonds (distance) P-C4' energy: -157.750 flat angles C4'-P-C4' energy: -175.258 flat angles P-C4'-P energy: -115.641 tors. eta vs tors. theta energy: -202.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -2476.406305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.406305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.406305 (E_RNA) where: Base-Base interactions energy: -1721.866 where: short stacking energy: -727.444 Base-Backbone interact. energy: -1.799 local terms energy: -752.740862 where: bonds (distance) C4'-P energy: -151.391 bonds (distance) P-C4' energy: -140.581 flat angles C4'-P-C4' energy: -170.590 flat angles P-C4'-P energy: -99.248 tors. eta vs tors. theta energy: -190.931 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: 2 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -2369.223890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.223890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.223890 (E_RNA) where: Base-Base interactions energy: -1599.499 where: short stacking energy: -656.836 Base-Backbone interact. energy: -0.475 local terms energy: -769.250534 where: bonds (distance) C4'-P energy: -154.265 bonds (distance) P-C4' energy: -151.659 flat angles C4'-P-C4' energy: -169.591 flat angles P-C4'-P energy: -104.914 tors. eta vs tors. theta energy: -188.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -1976.197039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.197039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.197039 (E_RNA) where: Base-Base interactions energy: -1307.065 where: short stacking energy: -553.113 Base-Backbone interact. energy: -0.305 local terms energy: -668.826994 where: bonds (distance) C4'-P energy: -153.365 bonds (distance) P-C4' energy: -144.633 flat angles C4'-P-C4' energy: -150.948 flat angles P-C4'-P energy: -96.211 tors. eta vs tors. theta energy: -123.670 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: 6, replica: 6 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -1897.884997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.884997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.884997 (E_RNA) where: Base-Base interactions energy: -1237.216 where: short stacking energy: -575.253 Base-Backbone interact. energy: 5.314 local terms energy: -665.982404 where: bonds (distance) C4'-P energy: -113.976 bonds (distance) P-C4' energy: -162.792 flat angles C4'-P-C4' energy: -156.719 flat angles P-C4'-P energy: -89.088 tors. eta vs tors. theta energy: -143.408 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: 7, replica: 5 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1486.434474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.434474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.434474 (E_RNA) where: Base-Base interactions energy: -891.696 where: short stacking energy: -420.213 Base-Backbone interact. energy: 2.313 local terms energy: -597.051967 where: bonds (distance) C4'-P energy: -128.074 bonds (distance) P-C4' energy: -149.663 flat angles C4'-P-C4' energy: -147.011 flat angles P-C4'-P energy: -75.897 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: 8, replica: 3 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -1299.649714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.649714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.649714 (E_RNA) where: Base-Base interactions energy: -806.856 where: short stacking energy: -398.953 Base-Backbone interact. energy: 3.579 local terms energy: -496.371874 where: bonds (distance) C4'-P energy: -130.875 bonds (distance) P-C4' energy: -117.118 flat angles C4'-P-C4' energy: -106.912 flat angles P-C4'-P energy: -88.689 tors. eta vs tors. theta energy: -52.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -806.574391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.574391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.574391 (E_RNA) where: Base-Base interactions energy: -364.907 where: short stacking energy: -241.197 Base-Backbone interact. energy: 0.150 local terms energy: -441.816820 where: bonds (distance) C4'-P energy: -139.713 bonds (distance) P-C4' energy: -116.693 flat angles C4'-P-C4' energy: -115.235 flat angles P-C4'-P energy: -76.094 tors. eta vs tors. theta energy: 5.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -648.286282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.286282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.286282 (E_RNA) where: Base-Base interactions energy: -250.191 where: short stacking energy: -164.314 Base-Backbone interact. energy: 1.343 local terms energy: -399.438424 where: bonds (distance) C4'-P energy: -134.972 bonds (distance) P-C4' energy: -137.245 flat angles C4'-P-C4' energy: -101.773 flat angles P-C4'-P energy: -51.871 tors. eta vs tors. theta energy: 26.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -2648.856730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.856730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.856730 (E_RNA) where: Base-Base interactions energy: -1833.547 where: short stacking energy: -728.463 Base-Backbone interact. energy: 0.215 local terms energy: -815.524587 where: bonds (distance) C4'-P energy: -167.215 bonds (distance) P-C4' energy: -167.498 flat angles C4'-P-C4' energy: -165.698 flat angles P-C4'-P energy: -118.309 tors. eta vs tors. theta energy: -196.805 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: 2, replica: 8 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2590.675542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.675542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.675542 (E_RNA) where: Base-Base interactions energy: -1776.224 where: short stacking energy: -733.094 Base-Backbone interact. energy: 1.060 local terms energy: -815.511534 where: bonds (distance) C4'-P energy: -146.047 bonds (distance) P-C4' energy: -163.982 flat angles C4'-P-C4' energy: -182.448 flat angles P-C4'-P energy: -118.835 tors. eta vs tors. theta energy: -204.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2459.222749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.222749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.222749 (E_RNA) where: Base-Base interactions energy: -1674.851 where: short stacking energy: -703.653 Base-Backbone interact. energy: 2.236 local terms energy: -786.607848 where: bonds (distance) C4'-P energy: -159.638 bonds (distance) P-C4' energy: -154.141 flat angles C4'-P-C4' energy: -160.241 flat angles P-C4'-P energy: -111.794 tors. eta vs tors. theta energy: -200.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -2291.010063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.010063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.010063 (E_RNA) where: Base-Base interactions energy: -1563.870 where: short stacking energy: -664.600 Base-Backbone interact. energy: -0.417 local terms energy: -726.722649 where: bonds (distance) C4'-P energy: -142.751 bonds (distance) P-C4' energy: -137.963 flat angles C4'-P-C4' energy: -157.387 flat angles P-C4'-P energy: -98.881 tors. eta vs tors. theta energy: -189.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -1963.723006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.723006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.723006 (E_RNA) where: Base-Base interactions energy: -1280.646 where: short stacking energy: -560.684 Base-Backbone interact. energy: -1.632 local terms energy: -681.444956 where: bonds (distance) C4'-P energy: -150.552 bonds (distance) P-C4' energy: -139.857 flat angles C4'-P-C4' energy: -171.755 flat angles P-C4'-P energy: -91.169 tors. eta vs tors. theta energy: -128.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -1914.359032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.359032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.359032 (E_RNA) where: Base-Base interactions energy: -1221.782 where: short stacking energy: -551.518 Base-Backbone interact. energy: -1.015 local terms energy: -691.562065 where: bonds (distance) C4'-P energy: -132.815 bonds (distance) P-C4' energy: -155.049 flat angles C4'-P-C4' energy: -155.273 flat angles P-C4'-P energy: -93.339 tors. eta vs tors. theta energy: -155.086 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: 5 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1496.611120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.611120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.611120 (E_RNA) where: Base-Base interactions energy: -940.750 where: short stacking energy: -472.653 Base-Backbone interact. energy: -0.986 local terms energy: -554.874832 where: bonds (distance) C4'-P energy: -133.225 bonds (distance) P-C4' energy: -127.899 flat angles C4'-P-C4' energy: -140.271 flat angles P-C4'-P energy: -76.866 tors. eta vs tors. theta energy: -76.613 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: 8, replica: 3 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1301.076344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.076344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.076344 (E_RNA) where: Base-Base interactions energy: -738.190 where: short stacking energy: -339.238 Base-Backbone interact. energy: -0.319 local terms energy: -562.567245 where: bonds (distance) C4'-P energy: -159.652 bonds (distance) P-C4' energy: -145.249 flat angles C4'-P-C4' energy: -128.654 flat angles P-C4'-P energy: -84.910 tors. eta vs tors. theta energy: -44.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -768.179237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.179237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.179237 (E_RNA) where: Base-Base interactions energy: -301.293 where: short stacking energy: -190.596 Base-Backbone interact. energy: -2.155 local terms energy: -464.731116 where: bonds (distance) C4'-P energy: -134.450 bonds (distance) P-C4' energy: -126.017 flat angles C4'-P-C4' energy: -138.692 flat angles P-C4'-P energy: -69.257 tors. eta vs tors. theta energy: 3.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -652.816000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.816000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.816000 (E_RNA) where: Base-Base interactions energy: -268.199 where: short stacking energy: -190.249 Base-Backbone interact. energy: -0.544 local terms energy: -384.073292 where: bonds (distance) C4'-P energy: -131.805 bonds (distance) P-C4' energy: -149.823 flat angles C4'-P-C4' energy: -107.049 flat angles P-C4'-P energy: -47.774 tors. eta vs tors. theta energy: 52.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -2649.658911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.658911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.658911 (E_RNA) where: Base-Base interactions energy: -1817.727 where: short stacking energy: -738.886 Base-Backbone interact. energy: -3.472 local terms energy: -828.459969 where: bonds (distance) C4'-P energy: -157.058 bonds (distance) P-C4' energy: -160.725 flat angles C4'-P-C4' energy: -179.879 flat angles P-C4'-P energy: -129.134 tors. eta vs tors. theta energy: -201.664 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: 8 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2547.164932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.164932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.164932 (E_RNA) where: Base-Base interactions energy: -1746.836 where: short stacking energy: -735.195 Base-Backbone interact. energy: -4.393 local terms energy: -795.935966 where: bonds (distance) C4'-P energy: -146.976 bonds (distance) P-C4' energy: -177.154 flat angles C4'-P-C4' energy: -170.080 flat angles P-C4'-P energy: -113.902 tors. eta vs tors. theta energy: -187.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -2502.302002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.302002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.302002 (E_RNA) where: Base-Base interactions energy: -1700.218 where: short stacking energy: -716.785 Base-Backbone interact. energy: -3.500 local terms energy: -798.584312 where: bonds (distance) C4'-P energy: -150.907 bonds (distance) P-C4' energy: -165.292 flat angles C4'-P-C4' energy: -160.460 flat angles P-C4'-P energy: -114.030 tors. eta vs tors. theta energy: -207.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -2282.802789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.802789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.802789 (E_RNA) where: Base-Base interactions energy: -1556.678 where: short stacking energy: -670.153 Base-Backbone interact. energy: -3.613 local terms energy: -722.512064 where: bonds (distance) C4'-P energy: -134.629 bonds (distance) P-C4' energy: -158.745 flat angles C4'-P-C4' energy: -158.978 flat angles P-C4'-P energy: -96.545 tors. eta vs tors. theta energy: -173.614 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: 10 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -1981.152438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.152438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.152438 (E_RNA) where: Base-Base interactions energy: -1292.729 where: short stacking energy: -562.519 Base-Backbone interact. energy: -2.208 local terms energy: -686.215011 where: bonds (distance) C4'-P energy: -138.213 bonds (distance) P-C4' energy: -150.955 flat angles C4'-P-C4' energy: -155.170 flat angles P-C4'-P energy: -103.058 tors. eta vs tors. theta energy: -138.819 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: 6, replica: 6 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -1954.683808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.683808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.683808 (E_RNA) where: Base-Base interactions energy: -1270.040 where: short stacking energy: -549.690 Base-Backbone interact. energy: -1.354 local terms energy: -683.290127 where: bonds (distance) C4'-P energy: -121.579 bonds (distance) P-C4' energy: -167.921 flat angles C4'-P-C4' energy: -158.094 flat angles P-C4'-P energy: -90.562 tors. eta vs tors. theta energy: -145.134 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: 7, replica: 5 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1560.068678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.068678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.068678 (E_RNA) where: Base-Base interactions energy: -973.623 where: short stacking energy: -455.970 Base-Backbone interact. energy: -4.620 local terms energy: -581.825474 where: bonds (distance) C4'-P energy: -107.244 bonds (distance) P-C4' energy: -142.155 flat angles C4'-P-C4' energy: -141.798 flat angles P-C4'-P energy: -82.836 tors. eta vs tors. theta energy: -107.793 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: 3 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1324.674229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.674229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.674229 (E_RNA) where: Base-Base interactions energy: -798.263 where: short stacking energy: -367.313 Base-Backbone interact. energy: 5.791 local terms energy: -532.202011 where: bonds (distance) C4'-P energy: -115.320 bonds (distance) P-C4' energy: -149.731 flat angles C4'-P-C4' energy: -120.958 flat angles P-C4'-P energy: -82.356 tors. eta vs tors. theta energy: -63.837 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: 7 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -793.103420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.103420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.103420 (E_RNA) where: Base-Base interactions energy: -348.633 where: short stacking energy: -224.937 Base-Backbone interact. energy: -2.672 local terms energy: -441.797646 where: bonds (distance) C4'-P energy: -135.638 bonds (distance) P-C4' energy: -130.632 flat angles C4'-P-C4' energy: -106.446 flat angles P-C4'-P energy: -55.303 tors. eta vs tors. theta energy: -13.778 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: 9 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -675.072036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.072036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.072036 (E_RNA) where: Base-Base interactions energy: -266.899 where: short stacking energy: -171.378 Base-Backbone interact. energy: 2.443 local terms energy: -410.616764 where: bonds (distance) C4'-P energy: -121.759 bonds (distance) P-C4' energy: -136.901 flat angles C4'-P-C4' energy: -107.069 flat angles P-C4'-P energy: -66.202 tors. eta vs tors. theta energy: 21.314 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: 178 Temperature: 0.900000 Total energy: -2641.000320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.000320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.000320 (E_RNA) where: Base-Base interactions energy: -1816.322 where: short stacking energy: -755.369 Base-Backbone interact. energy: -3.726 local terms energy: -820.952196 where: bonds (distance) C4'-P energy: -152.869 bonds (distance) P-C4' energy: -152.712 flat angles C4'-P-C4' energy: -187.209 flat angles P-C4'-P energy: -113.748 tors. eta vs tors. theta energy: -214.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2588.239031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.239031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.239031 (E_RNA) where: Base-Base interactions energy: -1785.106 where: short stacking energy: -708.934 Base-Backbone interact. energy: -1.964 local terms energy: -801.168218 where: bonds (distance) C4'-P energy: -158.962 bonds (distance) P-C4' energy: -154.921 flat angles C4'-P-C4' energy: -176.622 flat angles P-C4'-P energy: -109.735 tors. eta vs tors. theta energy: -200.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -2445.625622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.625622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.625622 (E_RNA) where: Base-Base interactions energy: -1676.633 where: short stacking energy: -714.079 Base-Backbone interact. energy: -5.165 local terms energy: -763.827323 where: bonds (distance) C4'-P energy: -155.256 bonds (distance) P-C4' energy: -147.286 flat angles C4'-P-C4' energy: -172.151 flat angles P-C4'-P energy: -85.429 tors. eta vs tors. theta energy: -203.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -2280.278870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.278870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.278870 (E_RNA) where: Base-Base interactions energy: -1536.078 where: short stacking energy: -643.816 Base-Backbone interact. energy: -6.395 local terms energy: -737.805805 where: bonds (distance) C4'-P energy: -155.160 bonds (distance) P-C4' energy: -148.102 flat angles C4'-P-C4' energy: -173.890 flat angles P-C4'-P energy: -93.111 tors. eta vs tors. theta energy: -167.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -2036.393196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.393196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.393196 (E_RNA) where: Base-Base interactions energy: -1339.466 where: short stacking energy: -596.578 Base-Backbone interact. energy: -3.555 local terms energy: -693.371907 where: bonds (distance) C4'-P energy: -142.877 bonds (distance) P-C4' energy: -144.659 flat angles C4'-P-C4' energy: -172.723 flat angles P-C4'-P energy: -85.409 tors. eta vs tors. theta energy: -147.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1895.518807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.518807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.518807 (E_RNA) where: Base-Base interactions energy: -1248.818 where: short stacking energy: -538.171 Base-Backbone interact. energy: -1.320 local terms energy: -645.380163 where: bonds (distance) C4'-P energy: -136.410 bonds (distance) P-C4' energy: -119.360 flat angles C4'-P-C4' energy: -174.550 flat angles P-C4'-P energy: -100.389 tors. eta vs tors. theta energy: -114.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1570.238563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.238563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.238563 (E_RNA) where: Base-Base interactions energy: -968.409 where: short stacking energy: -446.358 Base-Backbone interact. energy: -1.014 local terms energy: -600.815890 where: bonds (distance) C4'-P energy: -113.892 bonds (distance) P-C4' energy: -132.402 flat angles C4'-P-C4' energy: -155.194 flat angles P-C4'-P energy: -104.972 tors. eta vs tors. theta energy: -94.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1219.783490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.783490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.783490 (E_RNA) where: Base-Base interactions energy: -691.985 where: short stacking energy: -344.087 Base-Backbone interact. energy: -4.033 local terms energy: -523.765214 where: bonds (distance) C4'-P energy: -136.795 bonds (distance) P-C4' energy: -129.228 flat angles C4'-P-C4' energy: -134.493 flat angles P-C4'-P energy: -83.150 tors. eta vs tors. theta energy: -40.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -931.750588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.750588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.750588 (E_RNA) where: Base-Base interactions energy: -480.207 where: short stacking energy: -273.698 Base-Backbone interact. energy: -1.767 local terms energy: -449.775806 where: bonds (distance) C4'-P energy: -126.484 bonds (distance) P-C4' energy: -135.648 flat angles C4'-P-C4' energy: -114.179 flat angles P-C4'-P energy: -84.889 tors. eta vs tors. theta energy: 11.425 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: 10, replica: 9 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -676.729198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.729198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.729198 (E_RNA) where: Base-Base interactions energy: -247.603 where: short stacking energy: -147.769 Base-Backbone interact. energy: 5.813 local terms energy: -434.938321 where: bonds (distance) C4'-P energy: -121.800 bonds (distance) P-C4' energy: -159.920 flat angles C4'-P-C4' energy: -116.555 flat angles P-C4'-P energy: -77.421 tors. eta vs tors. theta energy: 40.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -2622.084580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.084580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.084580 (E_RNA) where: Base-Base interactions energy: -1815.073 where: short stacking energy: -733.273 Base-Backbone interact. energy: -3.337 local terms energy: -803.675009 where: bonds (distance) C4'-P energy: -149.965 bonds (distance) P-C4' energy: -155.565 flat angles C4'-P-C4' energy: -183.806 flat angles P-C4'-P energy: -111.675 tors. eta vs tors. theta energy: -202.664 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: 1 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2563.228079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.228079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.228079 (E_RNA) where: Base-Base interactions energy: -1800.952 where: short stacking energy: -721.634 Base-Backbone interact. energy: -4.486 local terms energy: -757.789310 where: bonds (distance) C4'-P energy: -159.297 bonds (distance) P-C4' energy: -145.735 flat angles C4'-P-C4' energy: -146.992 flat angles P-C4'-P energy: -107.676 tors. eta vs tors. theta energy: -198.090 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: 4 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -2476.131310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.131310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.131310 (E_RNA) where: Base-Base interactions energy: -1689.979 where: short stacking energy: -715.527 Base-Backbone interact. energy: -5.578 local terms energy: -780.574125 where: bonds (distance) C4'-P energy: -153.171 bonds (distance) P-C4' energy: -147.448 flat angles C4'-P-C4' energy: -167.353 flat angles P-C4'-P energy: -105.648 tors. eta vs tors. theta energy: -206.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -2277.022341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.022341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.022341 (E_RNA) where: Base-Base interactions energy: -1531.485 where: short stacking energy: -625.945 Base-Backbone interact. energy: 0.697 local terms energy: -746.234207 where: bonds (distance) C4'-P energy: -160.995 bonds (distance) P-C4' energy: -138.496 flat angles C4'-P-C4' energy: -163.211 flat angles P-C4'-P energy: -97.488 tors. eta vs tors. theta energy: -186.045 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: 5, replica: 6 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -2044.694070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.694070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.694070 (E_RNA) where: Base-Base interactions energy: -1357.116 where: short stacking energy: -609.344 Base-Backbone interact. energy: -0.777 local terms energy: -686.800724 where: bonds (distance) C4'-P energy: -122.239 bonds (distance) P-C4' energy: -143.323 flat angles C4'-P-C4' energy: -169.207 flat angles P-C4'-P energy: -93.304 tors. eta vs tors. theta energy: -158.728 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: 10 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -1865.879194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.879194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.879194 (E_RNA) where: Base-Base interactions energy: -1179.667 where: short stacking energy: -527.712 Base-Backbone interact. energy: -3.498 local terms energy: -682.714276 where: bonds (distance) C4'-P energy: -142.406 bonds (distance) P-C4' energy: -161.209 flat angles C4'-P-C4' energy: -154.697 flat angles P-C4'-P energy: -85.060 tors. eta vs tors. theta energy: -139.342 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: 7, replica: 5 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1518.164230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.164230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.164230 (E_RNA) where: Base-Base interactions energy: -969.688 where: short stacking energy: -450.704 Base-Backbone interact. energy: 0.866 local terms energy: -549.341518 where: bonds (distance) C4'-P energy: -127.091 bonds (distance) P-C4' energy: -130.226 flat angles C4'-P-C4' energy: -119.459 flat angles P-C4'-P energy: -84.816 tors. eta vs tors. theta energy: -87.748 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: 8, replica: 3 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1231.513524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.513524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.513524 (E_RNA) where: Base-Base interactions energy: -701.094 where: short stacking energy: -332.456 Base-Backbone interact. energy: 0.504 local terms energy: -530.923427 where: bonds (distance) C4'-P energy: -137.976 bonds (distance) P-C4' energy: -160.653 flat angles C4'-P-C4' energy: -136.773 flat angles P-C4'-P energy: -55.387 tors. eta vs tors. theta energy: -40.134 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: 7 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -952.960659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.960659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.960659 (E_RNA) where: Base-Base interactions energy: -487.026 where: short stacking energy: -250.465 Base-Backbone interact. energy: -2.754 local terms energy: -463.181310 where: bonds (distance) C4'-P energy: -122.108 bonds (distance) P-C4' energy: -143.988 flat angles C4'-P-C4' energy: -116.890 flat angles P-C4'-P energy: -69.781 tors. eta vs tors. theta energy: -10.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -681.938191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.938191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.938191 (E_RNA) where: Base-Base interactions energy: -276.461 where: short stacking energy: -204.361 Base-Backbone interact. energy: 12.979 local terms energy: -418.456204 where: bonds (distance) C4'-P energy: -126.891 bonds (distance) P-C4' energy: -120.577 flat angles C4'-P-C4' energy: -107.918 flat angles P-C4'-P energy: -92.019 tors. eta vs tors. theta energy: 28.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -2631.240266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.240266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.240266 (E_RNA) where: Base-Base interactions energy: -1833.526 where: short stacking energy: -745.331 Base-Backbone interact. energy: 2.169 local terms energy: -799.883485 where: bonds (distance) C4'-P energy: -139.298 bonds (distance) P-C4' energy: -152.190 flat angles C4'-P-C4' energy: -190.850 flat angles P-C4'-P energy: -124.218 tors. eta vs tors. theta energy: -193.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2532.394607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.394607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.394607 (E_RNA) where: Base-Base interactions energy: -1710.421 where: short stacking energy: -726.800 Base-Backbone interact. energy: 0.496 local terms energy: -822.469395 where: bonds (distance) C4'-P energy: -157.778 bonds (distance) P-C4' energy: -166.053 flat angles C4'-P-C4' energy: -173.078 flat angles P-C4'-P energy: -127.410 tors. eta vs tors. theta energy: -198.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -2482.529387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.529387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.529387 (E_RNA) where: Base-Base interactions energy: -1689.655 where: short stacking energy: -730.605 Base-Backbone interact. energy: 3.576 local terms energy: -796.450497 where: bonds (distance) C4'-P energy: -158.756 bonds (distance) P-C4' energy: -148.040 flat angles C4'-P-C4' energy: -166.206 flat angles P-C4'-P energy: -119.769 tors. eta vs tors. theta energy: -203.681 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: 2 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -2299.212359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.212359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.212359 (E_RNA) where: Base-Base interactions energy: -1535.918 where: short stacking energy: -668.184 Base-Backbone interact. energy: -1.715 local terms energy: -761.579381 where: bonds (distance) C4'-P energy: -136.682 bonds (distance) P-C4' energy: -157.346 flat angles C4'-P-C4' energy: -160.354 flat angles P-C4'-P energy: -105.085 tors. eta vs tors. theta energy: -202.112 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: 5, replica: 6 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -2085.052765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.052765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.052765 (E_RNA) where: Base-Base interactions energy: -1367.734 where: short stacking energy: -602.292 Base-Backbone interact. energy: 6.024 local terms energy: -723.343563 where: bonds (distance) C4'-P energy: -156.427 bonds (distance) P-C4' energy: -146.702 flat angles C4'-P-C4' energy: -157.550 flat angles P-C4'-P energy: -111.007 tors. eta vs tors. theta energy: -151.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1754.257677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.257677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.257677 (E_RNA) where: Base-Base interactions energy: -1112.709 where: short stacking energy: -497.425 Base-Backbone interact. energy: -3.224 local terms energy: -638.324753 where: bonds (distance) C4'-P energy: -134.855 bonds (distance) P-C4' energy: -150.916 flat angles C4'-P-C4' energy: -155.512 flat angles P-C4'-P energy: -93.951 tors. eta vs tors. theta energy: -103.091 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: 7, replica: 5 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1571.640300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.640300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.640300 (E_RNA) where: Base-Base interactions energy: -943.825 where: short stacking energy: -431.195 Base-Backbone interact. energy: -1.556 local terms energy: -626.260007 where: bonds (distance) C4'-P energy: -138.430 bonds (distance) P-C4' energy: -155.001 flat angles C4'-P-C4' energy: -140.399 flat angles P-C4'-P energy: -100.822 tors. eta vs tors. theta energy: -91.609 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: 8, replica: 3 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1247.919700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.919700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.919700 (E_RNA) where: Base-Base interactions energy: -714.520 where: short stacking energy: -346.521 Base-Backbone interact. energy: 2.892 local terms energy: -536.291910 where: bonds (distance) C4'-P energy: -119.545 bonds (distance) P-C4' energy: -161.948 flat angles C4'-P-C4' energy: -127.101 flat angles P-C4'-P energy: -73.780 tors. eta vs tors. theta energy: -53.918 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: 7 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -914.825815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.825815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.825815 (E_RNA) where: Base-Base interactions energy: -454.997 where: short stacking energy: -273.654 Base-Backbone interact. energy: 1.131 local terms energy: -460.959581 where: bonds (distance) C4'-P energy: -128.367 bonds (distance) P-C4' energy: -132.437 flat angles C4'-P-C4' energy: -110.794 flat angles P-C4'-P energy: -71.092 tors. eta vs tors. theta energy: -18.270 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: 9 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -689.646005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.646005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.646005 (E_RNA) where: Base-Base interactions energy: -303.311 where: short stacking energy: -205.073 Base-Backbone interact. energy: -1.573 local terms energy: -384.762088 where: bonds (distance) C4'-P energy: -126.654 bonds (distance) P-C4' energy: -135.383 flat angles C4'-P-C4' energy: -105.086 flat angles P-C4'-P energy: -40.378 tors. eta vs tors. theta energy: 22.738 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: 1 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -2659.792730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.792730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.792730 (E_RNA) where: Base-Base interactions energy: -1839.954 where: short stacking energy: -761.221 Base-Backbone interact. energy: -0.493 local terms energy: -819.345996 where: bonds (distance) C4'-P energy: -163.444 bonds (distance) P-C4' energy: -162.617 flat angles C4'-P-C4' energy: -181.331 flat angles P-C4'-P energy: -109.790 tors. eta vs tors. theta energy: -202.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -2564.290237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.290237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.290237 (E_RNA) where: Base-Base interactions energy: -1751.954 where: short stacking energy: -723.658 Base-Backbone interact. energy: -3.717 local terms energy: -808.619300 where: bonds (distance) C4'-P energy: -158.223 bonds (distance) P-C4' energy: -139.632 flat angles C4'-P-C4' energy: -180.202 flat angles P-C4'-P energy: -128.895 tors. eta vs tors. theta energy: -201.668 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: 8 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -2445.004703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.004703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.004703 (E_RNA) where: Base-Base interactions energy: -1635.470 where: short stacking energy: -673.838 Base-Backbone interact. energy: -1.143 local terms energy: -808.391834 where: bonds (distance) C4'-P energy: -151.949 bonds (distance) P-C4' energy: -159.146 flat angles C4'-P-C4' energy: -183.553 flat angles P-C4'-P energy: -125.894 tors. eta vs tors. theta energy: -187.849 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: 2 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -2266.213332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.213332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.213332 (E_RNA) where: Base-Base interactions energy: -1505.980 where: short stacking energy: -656.089 Base-Backbone interact. energy: -1.300 local terms energy: -758.933249 where: bonds (distance) C4'-P energy: -151.929 bonds (distance) P-C4' energy: -148.624 flat angles C4'-P-C4' energy: -170.233 flat angles P-C4'-P energy: -101.387 tors. eta vs tors. theta energy: -186.760 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: 6 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -2031.442194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.442194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.442194 (E_RNA) where: Base-Base interactions energy: -1371.161 where: short stacking energy: -610.861 Base-Backbone interact. energy: -2.694 local terms energy: -657.586589 where: bonds (distance) C4'-P energy: -127.343 bonds (distance) P-C4' energy: -152.392 flat angles C4'-P-C4' energy: -130.485 flat angles P-C4'-P energy: -75.752 tors. eta vs tors. theta energy: -171.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -1740.647589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.647589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.647589 (E_RNA) where: Base-Base interactions energy: -1111.340 where: short stacking energy: -479.157 Base-Backbone interact. energy: 0.010 local terms energy: -629.317920 where: bonds (distance) C4'-P energy: -126.591 bonds (distance) P-C4' energy: -139.061 flat angles C4'-P-C4' energy: -149.667 flat angles P-C4'-P energy: -99.818 tors. eta vs tors. theta energy: -114.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1505.180647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.180647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.180647 (E_RNA) where: Base-Base interactions energy: -943.172 where: short stacking energy: -447.833 Base-Backbone interact. energy: 6.358 local terms energy: -568.366373 where: bonds (distance) C4'-P energy: -122.502 bonds (distance) P-C4' energy: -151.414 flat angles C4'-P-C4' energy: -128.225 flat angles P-C4'-P energy: -91.121 tors. eta vs tors. theta energy: -75.104 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: 3 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1262.970716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.970716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.970716 (E_RNA) where: Base-Base interactions energy: -758.203 where: short stacking energy: -356.163 Base-Backbone interact. energy: 0.613 local terms energy: -505.381213 where: bonds (distance) C4'-P energy: -132.733 bonds (distance) P-C4' energy: -131.550 flat angles C4'-P-C4' energy: -129.293 flat angles P-C4'-P energy: -65.437 tors. eta vs tors. theta energy: -46.369 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: 9, replica: 7 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -937.475903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.475903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.475903 (E_RNA) where: Base-Base interactions energy: -479.366 where: short stacking energy: -247.047 Base-Backbone interact. energy: 5.320 local terms energy: -463.430085 where: bonds (distance) C4'-P energy: -140.481 bonds (distance) P-C4' energy: -143.738 flat angles C4'-P-C4' energy: -112.074 flat angles P-C4'-P energy: -86.411 tors. eta vs tors. theta energy: 19.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -682.877068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.877068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.877068 (E_RNA) where: Base-Base interactions energy: -265.228 where: short stacking energy: -177.786 Base-Backbone interact. energy: 0.207 local terms energy: -417.856383 where: bonds (distance) C4'-P energy: -118.816 bonds (distance) P-C4' energy: -115.547 flat angles C4'-P-C4' energy: -117.587 flat angles P-C4'-P energy: -73.519 tors. eta vs tors. theta energy: 7.613 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: 1, replica: 1 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -2679.934626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.934626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.934626 (E_RNA) where: Base-Base interactions energy: -1829.372 where: short stacking energy: -765.764 Base-Backbone interact. energy: -2.233 local terms energy: -848.330175 where: bonds (distance) C4'-P energy: -171.636 bonds (distance) P-C4' energy: -153.769 flat angles C4'-P-C4' energy: -190.043 flat angles P-C4'-P energy: -127.021 tors. eta vs tors. theta energy: -205.862 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: 2, replica: 4 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2530.489545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.489545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.489545 (E_RNA) where: Base-Base interactions energy: -1719.012 where: short stacking energy: -706.121 Base-Backbone interact. energy: -9.341 local terms energy: -802.137076 where: bonds (distance) C4'-P energy: -160.998 bonds (distance) P-C4' energy: -164.463 flat angles C4'-P-C4' energy: -158.143 flat angles P-C4'-P energy: -114.917 tors. eta vs tors. theta energy: -203.616 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: 3, replica: 8 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -2472.857943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.857943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.857943 (E_RNA) where: Base-Base interactions energy: -1695.314 where: short stacking energy: -706.039 Base-Backbone interact. energy: -5.552 local terms energy: -771.992348 where: bonds (distance) C4'-P energy: -129.151 bonds (distance) P-C4' energy: -150.948 flat angles C4'-P-C4' energy: -170.320 flat angles P-C4'-P energy: -117.663 tors. eta vs tors. theta energy: -203.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -2287.302152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.302152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.302152 (E_RNA) where: Base-Base interactions energy: -1532.377 where: short stacking energy: -685.515 Base-Backbone interact. energy: -2.722 local terms energy: -752.202907 where: bonds (distance) C4'-P energy: -138.282 bonds (distance) P-C4' energy: -156.365 flat angles C4'-P-C4' energy: -164.181 flat angles P-C4'-P energy: -110.966 tors. eta vs tors. theta energy: -182.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -2019.848907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.848907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.848907 (E_RNA) where: Base-Base interactions energy: -1317.203 where: short stacking energy: -547.882 Base-Backbone interact. energy: -0.055 local terms energy: -702.590094 where: bonds (distance) C4'-P energy: -146.747 bonds (distance) P-C4' energy: -149.936 flat angles C4'-P-C4' energy: -158.144 flat angles P-C4'-P energy: -94.199 tors. eta vs tors. theta energy: -153.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -1772.001124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.001124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.001124 (E_RNA) where: Base-Base interactions energy: -1164.043 where: short stacking energy: -502.981 Base-Backbone interact. energy: 2.963 local terms energy: -610.921512 where: bonds (distance) C4'-P energy: -126.135 bonds (distance) P-C4' energy: -139.756 flat angles C4'-P-C4' energy: -142.781 flat angles P-C4'-P energy: -91.397 tors. eta vs tors. theta energy: -110.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1475.889853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.889853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.889853 (E_RNA) where: Base-Base interactions energy: -880.965 where: short stacking energy: -415.711 Base-Backbone interact. energy: 0.962 local terms energy: -595.887256 where: bonds (distance) C4'-P energy: -144.593 bonds (distance) P-C4' energy: -116.236 flat angles C4'-P-C4' energy: -139.265 flat angles P-C4'-P energy: -109.854 tors. eta vs tors. theta energy: -85.939 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: 3 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1282.901862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.901862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.901862 (E_RNA) where: Base-Base interactions energy: -781.206 where: short stacking energy: -370.738 Base-Backbone interact. energy: 1.350 local terms energy: -503.045027 where: bonds (distance) C4'-P energy: -124.710 bonds (distance) P-C4' energy: -162.089 flat angles C4'-P-C4' energy: -106.966 flat angles P-C4'-P energy: -67.417 tors. eta vs tors. theta energy: -41.864 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: 7 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -943.690090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.690090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.690090 (E_RNA) where: Base-Base interactions energy: -482.823 where: short stacking energy: -274.639 Base-Backbone interact. energy: -1.374 local terms energy: -459.493798 where: bonds (distance) C4'-P energy: -128.868 bonds (distance) P-C4' energy: -138.624 flat angles C4'-P-C4' energy: -117.531 flat angles P-C4'-P energy: -63.106 tors. eta vs tors. theta energy: -11.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -595.348341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.348341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.348341 (E_RNA) where: Base-Base interactions energy: -209.319 where: short stacking energy: -116.130 Base-Backbone interact. energy: 5.283 local terms energy: -391.311531 where: bonds (distance) C4'-P energy: -142.366 bonds (distance) P-C4' energy: -124.234 flat angles C4'-P-C4' energy: -105.451 flat angles P-C4'-P energy: -67.521 tors. eta vs tors. theta energy: 48.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -2640.435146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.435146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.435146 (E_RNA) where: Base-Base interactions energy: -1810.076 where: short stacking energy: -732.983 Base-Backbone interact. energy: -0.797 local terms energy: -829.561786 where: bonds (distance) C4'-P energy: -163.376 bonds (distance) P-C4' energy: -157.784 flat angles C4'-P-C4' energy: -177.632 flat angles P-C4'-P energy: -119.226 tors. eta vs tors. theta energy: -211.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -2560.327145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.327145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.327145 (E_RNA) where: Base-Base interactions energy: -1767.343 where: short stacking energy: -738.170 Base-Backbone interact. energy: -8.783 local terms energy: -784.201576 where: bonds (distance) C4'-P energy: -142.161 bonds (distance) P-C4' energy: -158.757 flat angles C4'-P-C4' energy: -165.532 flat angles P-C4'-P energy: -108.064 tors. eta vs tors. theta energy: -209.688 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: 4 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -2453.687220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.687220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.687220 (E_RNA) where: Base-Base interactions energy: -1678.982 where: short stacking energy: -704.411 Base-Backbone interact. energy: -2.548 local terms energy: -772.156887 where: bonds (distance) C4'-P energy: -137.223 bonds (distance) P-C4' energy: -151.238 flat angles C4'-P-C4' energy: -179.469 flat angles P-C4'-P energy: -112.845 tors. eta vs tors. theta energy: -191.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -2322.014935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.014935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.014935 (E_RNA) where: Base-Base interactions energy: -1547.995 where: short stacking energy: -679.091 Base-Backbone interact. energy: -5.247 local terms energy: -768.772632 where: bonds (distance) C4'-P energy: -146.331 bonds (distance) P-C4' energy: -159.891 flat angles C4'-P-C4' energy: -165.465 flat angles P-C4'-P energy: -102.761 tors. eta vs tors. theta energy: -194.324 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: 5, replica: 6 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -2002.737095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.737095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.737095 (E_RNA) where: Base-Base interactions energy: -1327.966 where: short stacking energy: -562.877 Base-Backbone interact. energy: -0.278 local terms energy: -674.493614 where: bonds (distance) C4'-P energy: -141.771 bonds (distance) P-C4' energy: -150.236 flat angles C4'-P-C4' energy: -150.641 flat angles P-C4'-P energy: -101.447 tors. eta vs tors. theta energy: -130.399 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: 10 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1831.192072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.192072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.192072 (E_RNA) where: Base-Base interactions energy: -1195.669 where: short stacking energy: -494.557 Base-Backbone interact. energy: -3.399 local terms energy: -632.124249 where: bonds (distance) C4'-P energy: -132.540 bonds (distance) P-C4' energy: -138.586 flat angles C4'-P-C4' energy: -140.506 flat angles P-C4'-P energy: -94.394 tors. eta vs tors. theta energy: -126.098 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: 7, replica: 5 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1492.805969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.805969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.805969 (E_RNA) where: Base-Base interactions energy: -872.009 where: short stacking energy: -429.685 Base-Backbone interact. energy: -0.409 local terms energy: -620.388404 where: bonds (distance) C4'-P energy: -144.757 bonds (distance) P-C4' energy: -149.155 flat angles C4'-P-C4' energy: -148.000 flat angles P-C4'-P energy: -93.758 tors. eta vs tors. theta energy: -84.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1229.575877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.575877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.575877 (E_RNA) where: Base-Base interactions energy: -716.994 where: short stacking energy: -346.099 Base-Backbone interact. energy: 4.698 local terms energy: -517.279995 where: bonds (distance) C4'-P energy: -116.491 bonds (distance) P-C4' energy: -146.078 flat angles C4'-P-C4' energy: -131.638 flat angles P-C4'-P energy: -71.881 tors. eta vs tors. theta energy: -51.193 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: 9, replica: 7 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -1054.958720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.958720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.958720 (E_RNA) where: Base-Base interactions energy: -563.869 where: short stacking energy: -299.014 Base-Backbone interact. energy: 0.068 local terms energy: -491.157323 where: bonds (distance) C4'-P energy: -122.215 bonds (distance) P-C4' energy: -150.669 flat angles C4'-P-C4' energy: -120.523 flat angles P-C4'-P energy: -72.427 tors. eta vs tors. theta energy: -25.323 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: 9 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -590.841112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.841112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.841112 (E_RNA) where: Base-Base interactions energy: -222.695 where: short stacking energy: -170.444 Base-Backbone interact. energy: -2.624 local terms energy: -365.522971 where: bonds (distance) C4'-P energy: -114.999 bonds (distance) P-C4' energy: -129.089 flat angles C4'-P-C4' energy: -111.285 flat angles P-C4'-P energy: -51.035 tors. eta vs tors. theta energy: 40.886 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: 1 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -2621.895877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.895877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.895877 (E_RNA) where: Base-Base interactions energy: -1796.795 where: short stacking energy: -713.750 Base-Backbone interact. energy: -4.982 local terms energy: -820.119326 where: bonds (distance) C4'-P energy: -159.459 bonds (distance) P-C4' energy: -181.317 flat angles C4'-P-C4' energy: -175.733 flat angles P-C4'-P energy: -108.197 tors. eta vs tors. theta energy: -195.413 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: 184 Temperature: 0.950000 Total energy: -2566.971100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.971100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.971100 (E_RNA) where: Base-Base interactions energy: -1752.642 where: short stacking energy: -704.428 Base-Backbone interact. energy: -5.740 local terms energy: -808.589253 where: bonds (distance) C4'-P energy: -159.615 bonds (distance) P-C4' energy: -163.546 flat angles C4'-P-C4' energy: -169.075 flat angles P-C4'-P energy: -125.366 tors. eta vs tors. theta energy: -190.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -2480.627542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.627542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.627542 (E_RNA) where: Base-Base interactions energy: -1725.472 where: short stacking energy: -730.052 Base-Backbone interact. energy: -1.449 local terms energy: -753.706679 where: bonds (distance) C4'-P energy: -131.510 bonds (distance) P-C4' energy: -145.141 flat angles C4'-P-C4' energy: -173.709 flat angles P-C4'-P energy: -110.200 tors. eta vs tors. theta energy: -193.147 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: 4, replica: 2 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -2339.689564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.689564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.689564 (E_RNA) where: Base-Base interactions energy: -1598.550 where: short stacking energy: -692.616 Base-Backbone interact. energy: -0.865 local terms energy: -740.274010 where: bonds (distance) C4'-P energy: -139.180 bonds (distance) P-C4' energy: -146.470 flat angles C4'-P-C4' energy: -157.836 flat angles P-C4'-P energy: -106.095 tors. eta vs tors. theta energy: -190.694 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: 5, replica: 6 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -2040.458332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.458332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.458332 (E_RNA) where: Base-Base interactions energy: -1341.691 where: short stacking energy: -617.199 Base-Backbone interact. energy: -1.646 local terms energy: -697.120646 where: bonds (distance) C4'-P energy: -134.529 bonds (distance) P-C4' energy: -148.215 flat angles C4'-P-C4' energy: -161.770 flat angles P-C4'-P energy: -86.807 tors. eta vs tors. theta energy: -165.800 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: 10 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -1839.818809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.818809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.818809 (E_RNA) where: Base-Base interactions energy: -1180.393 where: short stacking energy: -523.591 Base-Backbone interact. energy: -1.536 local terms energy: -657.890042 where: bonds (distance) C4'-P energy: -128.098 bonds (distance) P-C4' energy: -136.603 flat angles C4'-P-C4' energy: -164.581 flat angles P-C4'-P energy: -89.010 tors. eta vs tors. theta energy: -139.598 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: 5 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1563.694582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.694582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.694582 (E_RNA) where: Base-Base interactions energy: -1005.759 where: short stacking energy: -464.436 Base-Backbone interact. energy: -0.991 local terms energy: -556.944837 where: bonds (distance) C4'-P energy: -100.827 bonds (distance) P-C4' energy: -139.902 flat angles C4'-P-C4' energy: -149.924 flat angles P-C4'-P energy: -75.238 tors. eta vs tors. theta energy: -91.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1189.948966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.948966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.948966 (E_RNA) where: Base-Base interactions energy: -704.341 where: short stacking energy: -352.425 Base-Backbone interact. energy: -2.773 local terms energy: -482.834793 where: bonds (distance) C4'-P energy: -129.925 bonds (distance) P-C4' energy: -125.121 flat angles C4'-P-C4' energy: -120.553 flat angles P-C4'-P energy: -76.831 tors. eta vs tors. theta energy: -30.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -1046.913139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.913139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.913139 (E_RNA) where: Base-Base interactions energy: -595.309 where: short stacking energy: -296.993 Base-Backbone interact. energy: 0.804 local terms energy: -452.408417 where: bonds (distance) C4'-P energy: -132.700 bonds (distance) P-C4' energy: -115.236 flat angles C4'-P-C4' energy: -111.885 flat angles P-C4'-P energy: -79.469 tors. eta vs tors. theta energy: -13.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -626.411136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.411136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.411136 (E_RNA) where: Base-Base interactions energy: -244.946 where: short stacking energy: -182.039 Base-Backbone interact. energy: 6.634 local terms energy: -388.098891 where: bonds (distance) C4'-P energy: -118.491 bonds (distance) P-C4' energy: -129.528 flat angles C4'-P-C4' energy: -117.424 flat angles P-C4'-P energy: -53.413 tors. eta vs tors. theta energy: 30.757 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: 1 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -2632.101318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.101318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.101318 (E_RNA) where: Base-Base interactions energy: -1802.360 where: short stacking energy: -725.584 Base-Backbone interact. energy: -0.383 local terms energy: -829.358536 where: bonds (distance) C4'-P energy: -155.376 bonds (distance) P-C4' energy: -166.141 flat angles C4'-P-C4' energy: -180.832 flat angles P-C4'-P energy: -129.153 tors. eta vs tors. theta energy: -197.856 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: 2, replica: 8 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2530.079322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.079322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.079322 (E_RNA) where: Base-Base interactions energy: -1728.959 where: short stacking energy: -739.558 Base-Backbone interact. energy: -4.508 local terms energy: -796.613239 where: bonds (distance) C4'-P energy: -154.208 bonds (distance) P-C4' energy: -153.164 flat angles C4'-P-C4' energy: -171.838 flat angles P-C4'-P energy: -122.482 tors. eta vs tors. theta energy: -194.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -2440.548856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.548856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.548856 (E_RNA) where: Base-Base interactions energy: -1641.906 where: short stacking energy: -682.445 Base-Backbone interact. energy: -1.639 local terms energy: -797.003727 where: bonds (distance) C4'-P energy: -159.530 bonds (distance) P-C4' energy: -161.202 flat angles C4'-P-C4' energy: -165.556 flat angles P-C4'-P energy: -114.898 tors. eta vs tors. theta energy: -195.818 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: 2 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -2339.413330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.413330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.413330 (E_RNA) where: Base-Base interactions energy: -1609.611 where: short stacking energy: -666.233 Base-Backbone interact. energy: -4.658 local terms energy: -725.144137 where: bonds (distance) C4'-P energy: -129.196 bonds (distance) P-C4' energy: -159.908 flat angles C4'-P-C4' energy: -162.490 flat angles P-C4'-P energy: -97.264 tors. eta vs tors. theta energy: -176.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -2023.489790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.489790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.489790 (E_RNA) where: Base-Base interactions energy: -1342.108 where: short stacking energy: -593.297 Base-Backbone interact. energy: -1.093 local terms energy: -680.289507 where: bonds (distance) C4'-P energy: -158.017 bonds (distance) P-C4' energy: -146.389 flat angles C4'-P-C4' energy: -140.811 flat angles P-C4'-P energy: -87.573 tors. eta vs tors. theta energy: -147.499 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: 6, replica: 10 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -1814.143812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.143812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.143812 (E_RNA) where: Base-Base interactions energy: -1142.133 where: short stacking energy: -511.401 Base-Backbone interact. energy: 0.372 local terms energy: -672.383235 where: bonds (distance) C4'-P energy: -134.473 bonds (distance) P-C4' energy: -151.574 flat angles C4'-P-C4' energy: -164.653 flat angles P-C4'-P energy: -100.459 tors. eta vs tors. theta energy: -121.224 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: 7, replica: 5 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1588.061851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.061851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.061851 (E_RNA) where: Base-Base interactions energy: -977.388 where: short stacking energy: -477.167 Base-Backbone interact. energy: -1.062 local terms energy: -609.611438 where: bonds (distance) C4'-P energy: -141.292 bonds (distance) P-C4' energy: -153.600 flat angles C4'-P-C4' energy: -117.124 flat angles P-C4'-P energy: -101.072 tors. eta vs tors. theta energy: -96.524 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: 8, replica: 3 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1328.632981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.632981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.632981 (E_RNA) where: Base-Base interactions energy: -800.327 where: short stacking energy: -397.916 Base-Backbone interact. energy: -2.361 local terms energy: -525.945713 where: bonds (distance) C4'-P energy: -119.773 bonds (distance) P-C4' energy: -135.961 flat angles C4'-P-C4' energy: -127.081 flat angles P-C4'-P energy: -77.499 tors. eta vs tors. theta energy: -65.631 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: 7 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -1056.511089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.511089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.511089 (E_RNA) where: Base-Base interactions energy: -603.235 where: short stacking energy: -284.105 Base-Backbone interact. energy: 4.720 local terms energy: -457.996662 where: bonds (distance) C4'-P energy: -124.498 bonds (distance) P-C4' energy: -128.648 flat angles C4'-P-C4' energy: -118.372 flat angles P-C4'-P energy: -62.858 tors. eta vs tors. theta energy: -23.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -635.628371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.628371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.628371 (E_RNA) where: Base-Base interactions energy: -246.901 where: short stacking energy: -173.255 Base-Backbone interact. energy: 5.117 local terms energy: -393.844161 where: bonds (distance) C4'-P energy: -113.755 bonds (distance) P-C4' energy: -148.288 flat angles C4'-P-C4' energy: -108.534 flat angles P-C4'-P energy: -33.836 tors. eta vs tors. theta energy: 10.568 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: 1 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -2626.183249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.183249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.183249 (E_RNA) where: Base-Base interactions energy: -1817.593 where: short stacking energy: -755.322 Base-Backbone interact. energy: -2.263 local terms energy: -806.326977 where: bonds (distance) C4'-P energy: -173.714 bonds (distance) P-C4' energy: -155.613 flat angles C4'-P-C4' energy: -173.786 flat angles P-C4'-P energy: -107.975 tors. eta vs tors. theta energy: -195.240 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: 2, replica: 8 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2564.741624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.741624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.741624 (E_RNA) where: Base-Base interactions energy: -1775.386 where: short stacking energy: -729.170 Base-Backbone interact. energy: -1.477 local terms energy: -787.879004 where: bonds (distance) C4'-P energy: -148.256 bonds (distance) P-C4' energy: -165.854 flat angles C4'-P-C4' energy: -168.517 flat angles P-C4'-P energy: -110.200 tors. eta vs tors. theta energy: -195.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -2456.337840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.337840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.337840 (E_RNA) where: Base-Base interactions energy: -1693.488 where: short stacking energy: -720.267 Base-Backbone interact. energy: -4.418 local terms energy: -758.431499 where: bonds (distance) C4'-P energy: -126.988 bonds (distance) P-C4' energy: -154.027 flat angles C4'-P-C4' energy: -176.366 flat angles P-C4'-P energy: -100.121 tors. eta vs tors. theta energy: -200.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -2383.696596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.696596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.696596 (E_RNA) where: Base-Base interactions energy: -1616.659 where: short stacking energy: -706.171 Base-Backbone interact. energy: -0.358 local terms energy: -766.680028 where: bonds (distance) C4'-P energy: -152.899 bonds (distance) P-C4' energy: -138.481 flat angles C4'-P-C4' energy: -176.007 flat angles P-C4'-P energy: -108.076 tors. eta vs tors. theta energy: -191.217 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: 6 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -2051.961197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.961197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.961197 (E_RNA) where: Base-Base interactions energy: -1353.333 where: short stacking energy: -585.954 Base-Backbone interact. energy: 1.101 local terms energy: -699.729804 where: bonds (distance) C4'-P energy: -135.771 bonds (distance) P-C4' energy: -138.372 flat angles C4'-P-C4' energy: -168.620 flat angles P-C4'-P energy: -106.813 tors. eta vs tors. theta energy: -150.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -1817.887762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.887762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.887762 (E_RNA) where: Base-Base interactions energy: -1138.013 where: short stacking energy: -531.409 Base-Backbone interact. energy: 3.545 local terms energy: -683.420537 where: bonds (distance) C4'-P energy: -145.635 bonds (distance) P-C4' energy: -162.213 flat angles C4'-P-C4' energy: -156.459 flat angles P-C4'-P energy: -83.148 tors. eta vs tors. theta energy: -135.965 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: 5 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1536.603548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.603548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.603548 (E_RNA) where: Base-Base interactions energy: -942.827 where: short stacking energy: -438.576 Base-Backbone interact. energy: -0.298 local terms energy: -593.479021 where: bonds (distance) C4'-P energy: -119.042 bonds (distance) P-C4' energy: -140.584 flat angles C4'-P-C4' energy: -143.338 flat angles P-C4'-P energy: -90.449 tors. eta vs tors. theta energy: -100.066 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: 8, replica: 3 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1290.014631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.014631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.014631 (E_RNA) where: Base-Base interactions energy: -766.788 where: short stacking energy: -374.062 Base-Backbone interact. energy: 0.951 local terms energy: -524.177888 where: bonds (distance) C4'-P energy: -126.089 bonds (distance) P-C4' energy: -152.944 flat angles C4'-P-C4' energy: -126.525 flat angles P-C4'-P energy: -74.813 tors. eta vs tors. theta energy: -43.807 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: 7 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -927.653478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.653478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.653478 (E_RNA) where: Base-Base interactions energy: -500.864 where: short stacking energy: -275.414 Base-Backbone interact. energy: 7.191 local terms energy: -433.980664 where: bonds (distance) C4'-P energy: -100.766 bonds (distance) P-C4' energy: -157.308 flat angles C4'-P-C4' energy: -118.147 flat angles P-C4'-P energy: -61.183 tors. eta vs tors. theta energy: 3.424 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: 10, replica: 9 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -653.590264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.590264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.590264 (E_RNA) where: Base-Base interactions energy: -256.156 where: short stacking energy: -158.550 Base-Backbone interact. energy: -2.446 local terms energy: -394.988306 where: bonds (distance) C4'-P energy: -129.733 bonds (distance) P-C4' energy: -135.672 flat angles C4'-P-C4' energy: -103.478 flat angles P-C4'-P energy: -69.684 tors. eta vs tors. theta energy: 43.579 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: 1 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -2638.790420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.790420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.790420 (E_RNA) where: Base-Base interactions energy: -1815.246 where: short stacking energy: -742.092 Base-Backbone interact. energy: -4.187 local terms energy: -819.358000 where: bonds (distance) C4'-P energy: -149.266 bonds (distance) P-C4' energy: -172.614 flat angles C4'-P-C4' energy: -170.149 flat angles P-C4'-P energy: -119.903 tors. eta vs tors. theta energy: -207.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2518.986510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.986510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.986510 (E_RNA) where: Base-Base interactions energy: -1709.465 where: short stacking energy: -741.047 Base-Backbone interact. energy: -3.292 local terms energy: -806.229771 where: bonds (distance) C4'-P energy: -167.143 bonds (distance) P-C4' energy: -159.181 flat angles C4'-P-C4' energy: -180.319 flat angles P-C4'-P energy: -108.392 tors. eta vs tors. theta energy: -191.196 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: 3, replica: 8 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2502.647968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.647968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.647968 (E_RNA) where: Base-Base interactions energy: -1700.305 where: short stacking energy: -721.360 Base-Backbone interact. energy: -7.857 local terms energy: -794.486275 where: bonds (distance) C4'-P energy: -145.435 bonds (distance) P-C4' energy: -148.384 flat angles C4'-P-C4' energy: -174.138 flat angles P-C4'-P energy: -122.783 tors. eta vs tors. theta energy: -203.747 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: 2 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -2342.249212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.249212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.249212 (E_RNA) where: Base-Base interactions energy: -1594.345 where: short stacking energy: -687.494 Base-Backbone interact. energy: -5.452 local terms energy: -742.451292 where: bonds (distance) C4'-P energy: -138.284 bonds (distance) P-C4' energy: -155.438 flat angles C4'-P-C4' energy: -161.245 flat angles P-C4'-P energy: -98.229 tors. eta vs tors. theta energy: -189.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -2032.521396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.521396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.521396 (E_RNA) where: Base-Base interactions energy: -1327.952 where: short stacking energy: -579.065 Base-Backbone interact. energy: -2.844 local terms energy: -701.725793 where: bonds (distance) C4'-P energy: -132.794 bonds (distance) P-C4' energy: -164.854 flat angles C4'-P-C4' energy: -168.256 flat angles P-C4'-P energy: -75.212 tors. eta vs tors. theta energy: -160.609 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: 10 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -1794.930953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.930953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.930953 (E_RNA) where: Base-Base interactions energy: -1159.301 where: short stacking energy: -524.139 Base-Backbone interact. energy: -1.633 local terms energy: -633.997439 where: bonds (distance) C4'-P energy: -139.569 bonds (distance) P-C4' energy: -139.624 flat angles C4'-P-C4' energy: -135.823 flat angles P-C4'-P energy: -92.990 tors. eta vs tors. theta energy: -125.991 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: 7, replica: 5 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1500.475115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.475115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.475115 (E_RNA) where: Base-Base interactions energy: -955.519 where: short stacking energy: -463.526 Base-Backbone interact. energy: 2.680 local terms energy: -547.635839 where: bonds (distance) C4'-P energy: -130.706 bonds (distance) P-C4' energy: -125.600 flat angles C4'-P-C4' energy: -135.519 flat angles P-C4'-P energy: -76.248 tors. eta vs tors. theta energy: -79.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1284.343203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.343203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.343203 (E_RNA) where: Base-Base interactions energy: -738.933 where: short stacking energy: -360.727 Base-Backbone interact. energy: 1.539 local terms energy: -546.948668 where: bonds (distance) C4'-P energy: -127.715 bonds (distance) P-C4' energy: -145.890 flat angles C4'-P-C4' energy: -119.041 flat angles P-C4'-P energy: -94.218 tors. eta vs tors. theta energy: -60.085 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: 9, replica: 7 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -884.657981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.657981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.657981 (E_RNA) where: Base-Base interactions energy: -438.244 where: short stacking energy: -266.038 Base-Backbone interact. energy: -0.230 local terms energy: -446.184194 where: bonds (distance) C4'-P energy: -134.317 bonds (distance) P-C4' energy: -140.468 flat angles C4'-P-C4' energy: -119.662 flat angles P-C4'-P energy: -60.658 tors. eta vs tors. theta energy: 8.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -692.856989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.856989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.856989 (E_RNA) where: Base-Base interactions energy: -282.396 where: short stacking energy: -202.535 Base-Backbone interact. energy: 7.043 local terms energy: -417.504447 where: bonds (distance) C4'-P energy: -108.792 bonds (distance) P-C4' energy: -127.898 flat angles C4'-P-C4' energy: -128.796 flat angles P-C4'-P energy: -55.828 tors. eta vs tors. theta energy: 3.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -2641.866880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.866880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.866880 (E_RNA) where: Base-Base interactions energy: -1823.555 where: short stacking energy: -712.124 Base-Backbone interact. energy: -2.398 local terms energy: -815.914600 where: bonds (distance) C4'-P energy: -155.987 bonds (distance) P-C4' energy: -174.348 flat angles C4'-P-C4' energy: -179.891 flat angles P-C4'-P energy: -103.780 tors. eta vs tors. theta energy: -201.909 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: 4 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -2528.430147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.430147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.430147 (E_RNA) where: Base-Base interactions energy: -1711.045 where: short stacking energy: -729.427 Base-Backbone interact. energy: 3.541 local terms energy: -820.926234 where: bonds (distance) C4'-P energy: -163.235 bonds (distance) P-C4' energy: -156.482 flat angles C4'-P-C4' energy: -183.870 flat angles P-C4'-P energy: -115.284 tors. eta vs tors. theta energy: -202.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -2522.904895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.904895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.904895 (E_RNA) where: Base-Base interactions energy: -1733.733 where: short stacking energy: -739.274 Base-Backbone interact. energy: -9.904 local terms energy: -779.267269 where: bonds (distance) C4'-P energy: -146.472 bonds (distance) P-C4' energy: -150.289 flat angles C4'-P-C4' energy: -183.425 flat angles P-C4'-P energy: -95.113 tors. eta vs tors. theta energy: -203.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -2330.215729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.215729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.215729 (E_RNA) where: Base-Base interactions energy: -1585.769 where: short stacking energy: -678.292 Base-Backbone interact. energy: -0.512 local terms energy: -743.935169 where: bonds (distance) C4'-P energy: -135.642 bonds (distance) P-C4' energy: -146.422 flat angles C4'-P-C4' energy: -163.244 flat angles P-C4'-P energy: -102.651 tors. eta vs tors. theta energy: -195.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -2007.653618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.653618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.653618 (E_RNA) where: Base-Base interactions energy: -1286.267 where: short stacking energy: -583.562 Base-Backbone interact. energy: -2.186 local terms energy: -719.200950 where: bonds (distance) C4'-P energy: -144.734 bonds (distance) P-C4' energy: -151.863 flat angles C4'-P-C4' energy: -168.846 flat angles P-C4'-P energy: -101.049 tors. eta vs tors. theta energy: -152.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1789.070748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.070748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.070748 (E_RNA) where: Base-Base interactions energy: -1140.724 where: short stacking energy: -509.112 Base-Backbone interact. energy: -1.326 local terms energy: -647.020540 where: bonds (distance) C4'-P energy: -148.391 bonds (distance) P-C4' energy: -140.172 flat angles C4'-P-C4' energy: -153.727 flat angles P-C4'-P energy: -100.669 tors. eta vs tors. theta energy: -104.061 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: 5 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1531.050920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.050920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.050920 (E_RNA) where: Base-Base interactions energy: -972.948 where: short stacking energy: -443.075 Base-Backbone interact. energy: 2.698 local terms energy: -560.800408 where: bonds (distance) C4'-P energy: -127.537 bonds (distance) P-C4' energy: -131.812 flat angles C4'-P-C4' energy: -133.292 flat angles P-C4'-P energy: -83.376 tors. eta vs tors. theta energy: -84.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1319.907378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.907378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.907378 (E_RNA) where: Base-Base interactions energy: -751.445 where: short stacking energy: -362.757 Base-Backbone interact. energy: -0.201 local terms energy: -568.261096 where: bonds (distance) C4'-P energy: -158.615 bonds (distance) P-C4' energy: -137.169 flat angles C4'-P-C4' energy: -144.820 flat angles P-C4'-P energy: -62.667 tors. eta vs tors. theta energy: -64.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -830.226424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.226424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.226424 (E_RNA) where: Base-Base interactions energy: -386.590 where: short stacking energy: -219.874 Base-Backbone interact. energy: -1.747 local terms energy: -441.889989 where: bonds (distance) C4'-P energy: -127.709 bonds (distance) P-C4' energy: -140.184 flat angles C4'-P-C4' energy: -103.038 flat angles P-C4'-P energy: -85.568 tors. eta vs tors. theta energy: 14.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -688.507366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.507366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.507366 (E_RNA) where: Base-Base interactions energy: -301.319 where: short stacking energy: -201.186 Base-Backbone interact. energy: 3.049 local terms energy: -390.236812 where: bonds (distance) C4'-P energy: -114.158 bonds (distance) P-C4' energy: -126.913 flat angles C4'-P-C4' energy: -109.866 flat angles P-C4'-P energy: -68.271 tors. eta vs tors. theta energy: 28.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -2635.940533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.940533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.940533 (E_RNA) where: Base-Base interactions energy: -1818.335 where: short stacking energy: -736.540 Base-Backbone interact. energy: -4.621 local terms energy: -812.984726 where: bonds (distance) C4'-P energy: -158.088 bonds (distance) P-C4' energy: -162.090 flat angles C4'-P-C4' energy: -163.208 flat angles P-C4'-P energy: -124.372 tors. eta vs tors. theta energy: -205.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -2532.286112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.286112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.286112 (E_RNA) where: Base-Base interactions energy: -1724.964 where: short stacking energy: -732.535 Base-Backbone interact. energy: -2.461 local terms energy: -804.860494 where: bonds (distance) C4'-P energy: -148.104 bonds (distance) P-C4' energy: -155.615 flat angles C4'-P-C4' energy: -182.732 flat angles P-C4'-P energy: -125.046 tors. eta vs tors. theta energy: -193.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -2507.426027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.426027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.426027 (E_RNA) where: Base-Base interactions energy: -1723.601 where: short stacking energy: -700.635 Base-Backbone interact. energy: -3.029 local terms energy: -780.796158 where: bonds (distance) C4'-P energy: -139.407 bonds (distance) P-C4' energy: -156.758 flat angles C4'-P-C4' energy: -170.329 flat angles P-C4'-P energy: -99.509 tors. eta vs tors. theta energy: -214.794 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: 4, replica: 2 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -2415.548092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.548092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.548092 (E_RNA) where: Base-Base interactions energy: -1660.528 where: short stacking energy: -722.339 Base-Backbone interact. energy: -1.761 local terms energy: -753.258837 where: bonds (distance) C4'-P energy: -128.968 bonds (distance) P-C4' energy: -153.531 flat angles C4'-P-C4' energy: -165.288 flat angles P-C4'-P energy: -104.425 tors. eta vs tors. theta energy: -201.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -2013.732868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.732868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.732868 (E_RNA) where: Base-Base interactions energy: -1316.968 where: short stacking energy: -577.762 Base-Backbone interact. energy: -2.267 local terms energy: -694.496908 where: bonds (distance) C4'-P energy: -140.180 bonds (distance) P-C4' energy: -141.450 flat angles C4'-P-C4' energy: -161.555 flat angles P-C4'-P energy: -95.317 tors. eta vs tors. theta energy: -155.996 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: 10 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1739.844720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.844720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.844720 (E_RNA) where: Base-Base interactions energy: -1131.199 where: short stacking energy: -479.520 Base-Backbone interact. energy: 2.650 local terms energy: -611.295965 where: bonds (distance) C4'-P energy: -129.175 bonds (distance) P-C4' energy: -127.493 flat angles C4'-P-C4' energy: -156.079 flat angles P-C4'-P energy: -87.583 tors. eta vs tors. theta energy: -110.965 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: 5 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1606.757424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.757424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.757424 (E_RNA) where: Base-Base interactions energy: -989.708 where: short stacking energy: -447.237 Base-Backbone interact. energy: -0.849 local terms energy: -616.201097 where: bonds (distance) C4'-P energy: -144.598 bonds (distance) P-C4' energy: -143.990 flat angles C4'-P-C4' energy: -155.225 flat angles P-C4'-P energy: -84.798 tors. eta vs tors. theta energy: -87.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1274.928480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.928480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.928480 (E_RNA) where: Base-Base interactions energy: -777.702 where: short stacking energy: -381.168 Base-Backbone interact. energy: -1.087 local terms energy: -496.140242 where: bonds (distance) C4'-P energy: -116.214 bonds (distance) P-C4' energy: -129.108 flat angles C4'-P-C4' energy: -132.159 flat angles P-C4'-P energy: -71.240 tors. eta vs tors. theta energy: -47.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -829.104174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.104174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.104174 (E_RNA) where: Base-Base interactions energy: -387.663 where: short stacking energy: -233.133 Base-Backbone interact. energy: 6.731 local terms energy: -448.171413 where: bonds (distance) C4'-P energy: -130.354 bonds (distance) P-C4' energy: -127.071 flat angles C4'-P-C4' energy: -112.158 flat angles P-C4'-P energy: -71.138 tors. eta vs tors. theta energy: -7.450 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: 10, replica: 9 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -727.325072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.325072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.325072 (E_RNA) where: Base-Base interactions energy: -347.430 where: short stacking energy: -206.154 Base-Backbone interact. energy: 8.193 local terms energy: -388.087740 where: bonds (distance) C4'-P energy: -121.700 bonds (distance) P-C4' energy: -137.426 flat angles C4'-P-C4' energy: -106.903 flat angles P-C4'-P energy: -38.552 tors. eta vs tors. theta energy: 16.494 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: 1 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -2671.539730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.539730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.539730 (E_RNA) where: Base-Base interactions energy: -1826.777 where: short stacking energy: -761.130 Base-Backbone interact. energy: -3.664 local terms energy: -841.098912 where: bonds (distance) C4'-P energy: -162.456 bonds (distance) P-C4' energy: -176.239 flat angles C4'-P-C4' energy: -173.271 flat angles P-C4'-P energy: -127.065 tors. eta vs tors. theta energy: -202.069 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: 2, replica: 4 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2503.228241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.228241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.228241 (E_RNA) where: Base-Base interactions energy: -1733.682 where: short stacking energy: -722.676 Base-Backbone interact. energy: -5.031 local terms energy: -764.514970 where: bonds (distance) C4'-P energy: -133.046 bonds (distance) P-C4' energy: -135.020 flat angles C4'-P-C4' energy: -179.148 flat angles P-C4'-P energy: -116.306 tors. eta vs tors. theta energy: -200.994 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: 3, replica: 2 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2472.324492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.324492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.324492 (E_RNA) where: Base-Base interactions energy: -1685.136 where: short stacking energy: -708.961 Base-Backbone interact. energy: -2.913 local terms energy: -784.275297 where: bonds (distance) C4'-P energy: -150.782 bonds (distance) P-C4' energy: -169.761 flat angles C4'-P-C4' energy: -161.405 flat angles P-C4'-P energy: -99.107 tors. eta vs tors. theta energy: -203.219 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: 4, replica: 8 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -2417.623210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.623210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.623210 (E_RNA) where: Base-Base interactions energy: -1654.257 where: short stacking energy: -689.593 Base-Backbone interact. energy: -2.592 local terms energy: -760.774045 where: bonds (distance) C4'-P energy: -150.421 bonds (distance) P-C4' energy: -143.633 flat angles C4'-P-C4' energy: -178.033 flat angles P-C4'-P energy: -98.752 tors. eta vs tors. theta energy: -189.935 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: 6 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -2034.201734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.201734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.201734 (E_RNA) where: Base-Base interactions energy: -1358.123 where: short stacking energy: -665.576 Base-Backbone interact. energy: 1.737 local terms energy: -677.816199 where: bonds (distance) C4'-P energy: -131.810 bonds (distance) P-C4' energy: -144.846 flat angles C4'-P-C4' energy: -140.026 flat angles P-C4'-P energy: -93.628 tors. eta vs tors. theta energy: -167.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1677.169263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.169263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.169263 (E_RNA) where: Base-Base interactions energy: -1062.777 where: short stacking energy: -474.950 Base-Backbone interact. energy: -4.608 local terms energy: -609.784382 where: bonds (distance) C4'-P energy: -126.003 bonds (distance) P-C4' energy: -142.974 flat angles C4'-P-C4' energy: -142.920 flat angles P-C4'-P energy: -90.670 tors. eta vs tors. theta energy: -107.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1603.174415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.174415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.174415 (E_RNA) where: Base-Base interactions energy: -955.114 where: short stacking energy: -462.864 Base-Backbone interact. energy: 1.477 local terms energy: -649.537756 where: bonds (distance) C4'-P energy: -146.389 bonds (distance) P-C4' energy: -144.580 flat angles C4'-P-C4' energy: -150.872 flat angles P-C4'-P energy: -94.549 tors. eta vs tors. theta energy: -113.148 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: 3 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1314.731789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.731789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.731789 (E_RNA) where: Base-Base interactions energy: -769.542 where: short stacking energy: -381.870 Base-Backbone interact. energy: -1.371 local terms energy: -543.818322 where: bonds (distance) C4'-P energy: -134.743 bonds (distance) P-C4' energy: -125.871 flat angles C4'-P-C4' energy: -129.196 flat angles P-C4'-P energy: -91.108 tors. eta vs tors. theta energy: -62.901 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: 7 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -884.989625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.989625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.989625 (E_RNA) where: Base-Base interactions energy: -445.928 where: short stacking energy: -248.638 Base-Backbone interact. energy: 9.211 local terms energy: -448.273068 where: bonds (distance) C4'-P energy: -105.421 bonds (distance) P-C4' energy: -144.725 flat angles C4'-P-C4' energy: -94.489 flat angles P-C4'-P energy: -97.586 tors. eta vs tors. theta energy: -6.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -784.140440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.140440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.140440 (E_RNA) where: Base-Base interactions energy: -370.033 where: short stacking energy: -232.571 Base-Backbone interact. energy: -1.806 local terms energy: -412.302162 where: bonds (distance) C4'-P energy: -120.792 bonds (distance) P-C4' energy: -126.979 flat angles C4'-P-C4' energy: -107.802 flat angles P-C4'-P energy: -64.897 tors. eta vs tors. theta energy: 8.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -2660.821339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.821339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.821339 (E_RNA) where: Base-Base interactions energy: -1829.850 where: short stacking energy: -752.771 Base-Backbone interact. energy: -2.288 local terms energy: -828.682563 where: bonds (distance) C4'-P energy: -162.753 bonds (distance) P-C4' energy: -170.085 flat angles C4'-P-C4' energy: -178.681 flat angles P-C4'-P energy: -120.935 tors. eta vs tors. theta energy: -196.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -2524.905118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.905118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.905118 (E_RNA) where: Base-Base interactions energy: -1711.545 where: short stacking energy: -710.953 Base-Backbone interact. energy: -4.624 local terms energy: -808.735381 where: bonds (distance) C4'-P energy: -159.685 bonds (distance) P-C4' energy: -162.125 flat angles C4'-P-C4' energy: -168.175 flat angles P-C4'-P energy: -125.581 tors. eta vs tors. theta energy: -193.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -2457.446457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.446457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.446457 (E_RNA) where: Base-Base interactions energy: -1669.858 where: short stacking energy: -711.230 Base-Backbone interact. energy: 3.197 local terms energy: -790.784734 where: bonds (distance) C4'-P energy: -158.944 bonds (distance) P-C4' energy: -152.348 flat angles C4'-P-C4' energy: -178.446 flat angles P-C4'-P energy: -95.615 tors. eta vs tors. theta energy: -205.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -2388.700929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.700929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.700929 (E_RNA) where: Base-Base interactions energy: -1621.416 where: short stacking energy: -683.774 Base-Backbone interact. energy: 5.103 local terms energy: -772.388367 where: bonds (distance) C4'-P energy: -136.906 bonds (distance) P-C4' energy: -142.301 flat angles C4'-P-C4' energy: -175.377 flat angles P-C4'-P energy: -109.776 tors. eta vs tors. theta energy: -208.029 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: 5, replica: 6 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -2049.054640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.054640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.054640 (E_RNA) where: Base-Base interactions energy: -1323.488 where: short stacking energy: -591.900 Base-Backbone interact. energy: 4.840 local terms energy: -730.406848 where: bonds (distance) C4'-P energy: -152.630 bonds (distance) P-C4' energy: -161.146 flat angles C4'-P-C4' energy: -160.523 flat angles P-C4'-P energy: -92.640 tors. eta vs tors. theta energy: -163.468 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: 6, replica: 5 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -1613.307661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.307661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.307661 (E_RNA) where: Base-Base interactions energy: -1023.808 where: short stacking energy: -442.889 Base-Backbone interact. energy: -0.419 local terms energy: -589.080766 where: bonds (distance) C4'-P energy: -124.124 bonds (distance) P-C4' energy: -151.423 flat angles C4'-P-C4' energy: -135.774 flat angles P-C4'-P energy: -100.205 tors. eta vs tors. theta energy: -77.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1623.401600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.401600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.401600 (E_RNA) where: Base-Base interactions energy: -1030.537 where: short stacking energy: -454.865 Base-Backbone interact. energy: 3.537 local terms energy: -596.401463 where: bonds (distance) C4'-P energy: -134.306 bonds (distance) P-C4' energy: -134.507 flat angles C4'-P-C4' energy: -158.968 flat angles P-C4'-P energy: -73.033 tors. eta vs tors. theta energy: -95.588 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: 3 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1278.401252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.401252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.401252 (E_RNA) where: Base-Base interactions energy: -751.209 where: short stacking energy: -347.658 Base-Backbone interact. energy: 3.589 local terms energy: -530.780846 where: bonds (distance) C4'-P energy: -133.149 bonds (distance) P-C4' energy: -139.686 flat angles C4'-P-C4' energy: -123.564 flat angles P-C4'-P energy: -82.582 tors. eta vs tors. theta energy: -51.799 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: 7 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -861.722420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.722420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.722420 (E_RNA) where: Base-Base interactions energy: -448.598 where: short stacking energy: -258.654 Base-Backbone interact. energy: -3.201 local terms energy: -409.923383 where: bonds (distance) C4'-P energy: -124.778 bonds (distance) P-C4' energy: -138.408 flat angles C4'-P-C4' energy: -100.272 flat angles P-C4'-P energy: -67.504 tors. eta vs tors. theta energy: 21.038 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: 9 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -778.026904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.026904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.026904 (E_RNA) where: Base-Base interactions energy: -338.775 where: short stacking energy: -205.093 Base-Backbone interact. energy: -3.296 local terms energy: -435.955395 where: bonds (distance) C4'-P energy: -132.498 bonds (distance) P-C4' energy: -130.330 flat angles C4'-P-C4' energy: -105.815 flat angles P-C4'-P energy: -73.393 tors. eta vs tors. theta energy: 6.081 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: 1 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -2629.358588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.358588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.358588 (E_RNA) where: Base-Base interactions energy: -1839.948 where: short stacking energy: -743.057 Base-Backbone interact. energy: -2.140 local terms energy: -787.270085 where: bonds (distance) C4'-P energy: -151.816 bonds (distance) P-C4' energy: -145.764 flat angles C4'-P-C4' energy: -171.251 flat angles P-C4'-P energy: -124.628 tors. eta vs tors. theta energy: -193.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2553.028969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.028969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.028969 (E_RNA) where: Base-Base interactions energy: -1736.315 where: short stacking energy: -710.823 Base-Backbone interact. energy: -4.115 local terms energy: -812.599021 where: bonds (distance) C4'-P energy: -142.783 bonds (distance) P-C4' energy: -173.838 flat angles C4'-P-C4' energy: -171.470 flat angles P-C4'-P energy: -124.603 tors. eta vs tors. theta energy: -199.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -2438.290736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.290736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.290736 (E_RNA) where: Base-Base interactions energy: -1673.868 where: short stacking energy: -707.134 Base-Backbone interact. energy: -1.813 local terms energy: -762.609562 where: bonds (distance) C4'-P energy: -149.995 bonds (distance) P-C4' energy: -151.513 flat angles C4'-P-C4' energy: -164.006 flat angles P-C4'-P energy: -108.610 tors. eta vs tors. theta energy: -188.486 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: 4, replica: 8 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -2391.556139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.556139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.556139 (E_RNA) where: Base-Base interactions energy: -1606.866 where: short stacking energy: -623.153 Base-Backbone interact. energy: -5.273 local terms energy: -779.416823 where: bonds (distance) C4'-P energy: -163.690 bonds (distance) P-C4' energy: -153.673 flat angles C4'-P-C4' energy: -162.423 flat angles P-C4'-P energy: -108.678 tors. eta vs tors. theta energy: -190.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -2046.189133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.189133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.189133 (E_RNA) where: Base-Base interactions energy: -1345.742 where: short stacking energy: -608.944 Base-Backbone interact. energy: 0.544 local terms energy: -700.991905 where: bonds (distance) C4'-P energy: -143.080 bonds (distance) P-C4' energy: -140.731 flat angles C4'-P-C4' energy: -154.821 flat angles P-C4'-P energy: -105.835 tors. eta vs tors. theta energy: -156.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -1670.544944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.544944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.544944 (E_RNA) where: Base-Base interactions energy: -1047.959 where: short stacking energy: -506.554 Base-Backbone interact. energy: 1.009 local terms energy: -623.594902 where: bonds (distance) C4'-P energy: -129.056 bonds (distance) P-C4' energy: -134.992 flat angles C4'-P-C4' energy: -161.145 flat angles P-C4'-P energy: -91.604 tors. eta vs tors. theta energy: -106.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1693.482483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.482483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.482483 (E_RNA) where: Base-Base interactions energy: -1083.838 where: short stacking energy: -488.805 Base-Backbone interact. energy: -2.519 local terms energy: -607.125296 where: bonds (distance) C4'-P energy: -127.963 bonds (distance) P-C4' energy: -144.809 flat angles C4'-P-C4' energy: -157.818 flat angles P-C4'-P energy: -69.132 tors. eta vs tors. theta energy: -107.403 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: 8, replica: 3 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1301.488801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.488801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.488801 (E_RNA) where: Base-Base interactions energy: -805.000 where: short stacking energy: -422.116 Base-Backbone interact. energy: -4.196 local terms energy: -492.292885 where: bonds (distance) C4'-P energy: -112.296 bonds (distance) P-C4' energy: -134.150 flat angles C4'-P-C4' energy: -112.654 flat angles P-C4'-P energy: -65.370 tors. eta vs tors. theta energy: -67.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -895.419194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.419194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.419194 (E_RNA) where: Base-Base interactions energy: -436.669 where: short stacking energy: -241.306 Base-Backbone interact. energy: -1.076 local terms energy: -457.674262 where: bonds (distance) C4'-P energy: -129.566 bonds (distance) P-C4' energy: -144.497 flat angles C4'-P-C4' energy: -115.345 flat angles P-C4'-P energy: -64.614 tors. eta vs tors. theta energy: -3.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -776.999735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.999735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.999735 (E_RNA) where: Base-Base interactions energy: -375.880 where: short stacking energy: -205.905 Base-Backbone interact. energy: -0.803 local terms energy: -400.316788 where: bonds (distance) C4'-P energy: -117.209 bonds (distance) P-C4' energy: -127.396 flat angles C4'-P-C4' energy: -106.262 flat angles P-C4'-P energy: -69.242 tors. eta vs tors. theta energy: 19.792 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: 1 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -2614.817135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.817135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.817135 (E_RNA) where: Base-Base interactions energy: -1787.129 where: short stacking energy: -737.206 Base-Backbone interact. energy: -3.590 local terms energy: -824.098080 where: bonds (distance) C4'-P energy: -161.574 bonds (distance) P-C4' energy: -153.596 flat angles C4'-P-C4' energy: -179.512 flat angles P-C4'-P energy: -126.681 tors. eta vs tors. theta energy: -202.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -2545.874077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.874077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.874077 (E_RNA) where: Base-Base interactions energy: -1778.928 where: short stacking energy: -713.273 Base-Backbone interact. energy: -2.092 local terms energy: -764.854461 where: bonds (distance) C4'-P energy: -153.769 bonds (distance) P-C4' energy: -148.125 flat angles C4'-P-C4' energy: -172.095 flat angles P-C4'-P energy: -107.547 tors. eta vs tors. theta energy: -183.319 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: 2 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -2438.468120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.468120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.468120 (E_RNA) where: Base-Base interactions energy: -1642.735 where: short stacking energy: -714.851 Base-Backbone interact. energy: -1.177 local terms energy: -794.556085 where: bonds (distance) C4'-P energy: -133.049 bonds (distance) P-C4' energy: -168.804 flat angles C4'-P-C4' energy: -181.927 flat angles P-C4'-P energy: -121.713 tors. eta vs tors. theta energy: -189.063 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: 4, replica: 8 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -2340.056404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.056404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.056404 (E_RNA) where: Base-Base interactions energy: -1601.217 where: short stacking energy: -650.175 Base-Backbone interact. energy: 0.628 local terms energy: -739.467339 where: bonds (distance) C4'-P energy: -149.003 bonds (distance) P-C4' energy: -126.886 flat angles C4'-P-C4' energy: -160.312 flat angles P-C4'-P energy: -116.783 tors. eta vs tors. theta energy: -186.484 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: 6 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -2058.687899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.687899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.687899 (E_RNA) where: Base-Base interactions energy: -1356.853 where: short stacking energy: -609.095 Base-Backbone interact. energy: 0.321 local terms energy: -702.156239 where: bonds (distance) C4'-P energy: -124.616 bonds (distance) P-C4' energy: -146.011 flat angles C4'-P-C4' energy: -158.561 flat angles P-C4'-P energy: -113.054 tors. eta vs tors. theta energy: -159.914 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: 10 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -1795.942575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.942575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.942575 (E_RNA) where: Base-Base interactions energy: -1168.434 where: short stacking energy: -518.560 Base-Backbone interact. energy: -0.399 local terms energy: -627.109550 where: bonds (distance) C4'-P energy: -146.368 bonds (distance) P-C4' energy: -131.571 flat angles C4'-P-C4' energy: -140.465 flat angles P-C4'-P energy: -91.343 tors. eta vs tors. theta energy: -117.363 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: 5 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1605.908521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.908521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.908521 (E_RNA) where: Base-Base interactions energy: -1030.122 where: short stacking energy: -468.089 Base-Backbone interact. energy: -3.428 local terms energy: -572.358606 where: bonds (distance) C4'-P energy: -124.181 bonds (distance) P-C4' energy: -142.476 flat angles C4'-P-C4' energy: -140.072 flat angles P-C4'-P energy: -68.233 tors. eta vs tors. theta energy: -97.397 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: 8, replica: 3 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1264.479010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.479010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.479010 (E_RNA) where: Base-Base interactions energy: -775.456 where: short stacking energy: -332.711 Base-Backbone interact. energy: -3.042 local terms energy: -485.980315 where: bonds (distance) C4'-P energy: -128.057 bonds (distance) P-C4' energy: -146.023 flat angles C4'-P-C4' energy: -121.125 flat angles P-C4'-P energy: -42.261 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: 9, replica: 7 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -898.389870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.389870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.389870 (E_RNA) where: Base-Base interactions energy: -480.359 where: short stacking energy: -253.631 Base-Backbone interact. energy: -0.340 local terms energy: -417.690024 where: bonds (distance) C4'-P energy: -113.931 bonds (distance) P-C4' energy: -138.990 flat angles C4'-P-C4' energy: -113.847 flat angles P-C4'-P energy: -63.629 tors. eta vs tors. theta energy: 12.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -786.653328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.653328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.653328 (E_RNA) where: Base-Base interactions energy: -357.347 where: short stacking energy: -197.688 Base-Backbone interact. energy: -0.302 local terms energy: -429.003640 where: bonds (distance) C4'-P energy: -117.798 bonds (distance) P-C4' energy: -143.972 flat angles C4'-P-C4' energy: -119.166 flat angles P-C4'-P energy: -62.589 tors. eta vs tors. theta energy: 14.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -2626.984108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.984108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.984108 (E_RNA) where: Base-Base interactions energy: -1801.863 where: short stacking energy: -721.915 Base-Backbone interact. energy: -3.296 local terms energy: -821.825134 where: bonds (distance) C4'-P energy: -169.159 bonds (distance) P-C4' energy: -160.561 flat angles C4'-P-C4' energy: -182.423 flat angles P-C4'-P energy: -115.351 tors. eta vs tors. theta energy: -194.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -2502.745873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.745873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.745873 (E_RNA) where: Base-Base interactions energy: -1670.652 where: short stacking energy: -716.013 Base-Backbone interact. energy: -5.582 local terms energy: -826.511771 where: bonds (distance) C4'-P energy: -156.984 bonds (distance) P-C4' energy: -161.451 flat angles C4'-P-C4' energy: -176.872 flat angles P-C4'-P energy: -127.293 tors. eta vs tors. theta energy: -203.912 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: 2 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -2469.068020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.068020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.068020 (E_RNA) where: Base-Base interactions energy: -1664.211 where: short stacking energy: -744.413 Base-Backbone interact. energy: -4.529 local terms energy: -800.327214 where: bonds (distance) C4'-P energy: -163.242 bonds (distance) P-C4' energy: -164.811 flat angles C4'-P-C4' energy: -163.805 flat angles P-C4'-P energy: -88.239 tors. eta vs tors. theta energy: -220.231 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: 8 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -2393.931366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.931366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.931366 (E_RNA) where: Base-Base interactions energy: -1643.286 where: short stacking energy: -694.381 Base-Backbone interact. energy: -5.428 local terms energy: -745.217464 where: bonds (distance) C4'-P energy: -131.313 bonds (distance) P-C4' energy: -134.164 flat angles C4'-P-C4' energy: -178.207 flat angles P-C4'-P energy: -104.757 tors. eta vs tors. theta energy: -196.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -2020.850612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.850612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.850612 (E_RNA) where: Base-Base interactions energy: -1335.005 where: short stacking energy: -585.619 Base-Backbone interact. energy: -2.556 local terms energy: -683.289379 where: bonds (distance) C4'-P energy: -140.887 bonds (distance) P-C4' energy: -138.591 flat angles C4'-P-C4' energy: -160.764 flat angles P-C4'-P energy: -79.571 tors. eta vs tors. theta energy: -163.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -1803.926852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.926852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.926852 (E_RNA) where: Base-Base interactions energy: -1144.127 where: short stacking energy: -517.418 Base-Backbone interact. energy: -4.796 local terms energy: -655.003302 where: bonds (distance) C4'-P energy: -141.930 bonds (distance) P-C4' energy: -157.111 flat angles C4'-P-C4' energy: -138.070 flat angles P-C4'-P energy: -75.202 tors. eta vs tors. theta energy: -142.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1723.755925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.755925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.755925 (E_RNA) where: Base-Base interactions energy: -1085.174 where: short stacking energy: -480.972 Base-Backbone interact. energy: -2.997 local terms energy: -635.584544 where: bonds (distance) C4'-P energy: -151.905 bonds (distance) P-C4' energy: -130.005 flat angles C4'-P-C4' energy: -159.221 flat angles P-C4'-P energy: -70.297 tors. eta vs tors. theta energy: -124.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1303.660046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.660046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.660046 (E_RNA) where: Base-Base interactions energy: -746.501 where: short stacking energy: -362.292 Base-Backbone interact. energy: -1.562 local terms energy: -555.596726 where: bonds (distance) C4'-P energy: -138.806 bonds (distance) P-C4' energy: -140.885 flat angles C4'-P-C4' energy: -133.800 flat angles P-C4'-P energy: -78.641 tors. eta vs tors. theta energy: -63.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -879.783497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.783497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.783497 (E_RNA) where: Base-Base interactions energy: -420.101 where: short stacking energy: -224.897 Base-Backbone interact. energy: 1.191 local terms energy: -460.873257 where: bonds (distance) C4'-P energy: -136.394 bonds (distance) P-C4' energy: -148.532 flat angles C4'-P-C4' energy: -115.255 flat angles P-C4'-P energy: -71.848 tors. eta vs tors. theta energy: 11.155 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: 10, replica: 9 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -774.448485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.448485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.448485 (E_RNA) where: Base-Base interactions energy: -362.989 where: short stacking energy: -206.191 Base-Backbone interact. energy: -0.458 local terms energy: -411.001395 where: bonds (distance) C4'-P energy: -120.836 bonds (distance) P-C4' energy: -153.003 flat angles C4'-P-C4' energy: -112.552 flat angles P-C4'-P energy: -58.362 tors. eta vs tors. theta energy: 33.752 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: 1, replica: 1 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -2643.894551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.894551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.894551 (E_RNA) where: Base-Base interactions energy: -1792.230 where: short stacking energy: -733.528 Base-Backbone interact. energy: -4.503 local terms energy: -847.161220 where: bonds (distance) C4'-P energy: -165.665 bonds (distance) P-C4' energy: -164.519 flat angles C4'-P-C4' energy: -192.246 flat angles P-C4'-P energy: -121.732 tors. eta vs tors. theta energy: -202.999 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: 2 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -2535.714773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.714773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.714773 (E_RNA) where: Base-Base interactions energy: -1708.811 where: short stacking energy: -751.931 Base-Backbone interact. energy: 4.484 local terms energy: -831.388624 where: bonds (distance) C4'-P energy: -168.967 bonds (distance) P-C4' energy: -163.431 flat angles C4'-P-C4' energy: -186.191 flat angles P-C4'-P energy: -104.091 tors. eta vs tors. theta energy: -208.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -2462.835196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.835196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.835196 (E_RNA) where: Base-Base interactions energy: -1657.722 where: short stacking energy: -713.226 Base-Backbone interact. energy: -0.915 local terms energy: -804.198042 where: bonds (distance) C4'-P energy: -142.486 bonds (distance) P-C4' energy: -160.023 flat angles C4'-P-C4' energy: -179.605 flat angles P-C4'-P energy: -129.340 tors. eta vs tors. theta energy: -192.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -2383.168264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.168264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.168264 (E_RNA) where: Base-Base interactions energy: -1635.247 where: short stacking energy: -669.559 Base-Backbone interact. energy: -4.933 local terms energy: -742.988048 where: bonds (distance) C4'-P energy: -132.677 bonds (distance) P-C4' energy: -143.856 flat angles C4'-P-C4' energy: -172.786 flat angles P-C4'-P energy: -105.551 tors. eta vs tors. theta energy: -188.117 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: 6 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -2078.452664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.452664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.452664 (E_RNA) where: Base-Base interactions energy: -1399.433 where: short stacking energy: -623.336 Base-Backbone interact. energy: -1.444 local terms energy: -677.575453 where: bonds (distance) C4'-P energy: -147.415 bonds (distance) P-C4' energy: -141.149 flat angles C4'-P-C4' energy: -140.444 flat angles P-C4'-P energy: -98.487 tors. eta vs tors. theta energy: -150.081 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: 6, replica: 10 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1868.288255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.288255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.288255 (E_RNA) where: Base-Base interactions energy: -1191.805 where: short stacking energy: -528.429 Base-Backbone interact. energy: -3.296 local terms energy: -673.186845 where: bonds (distance) C4'-P energy: -144.536 bonds (distance) P-C4' energy: -143.908 flat angles C4'-P-C4' energy: -158.649 flat angles P-C4'-P energy: -83.185 tors. eta vs tors. theta energy: -142.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1717.009875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.009875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.009875 (E_RNA) where: Base-Base interactions energy: -1105.024 where: short stacking energy: -492.784 Base-Backbone interact. energy: -0.434 local terms energy: -611.551221 where: bonds (distance) C4'-P energy: -153.944 bonds (distance) P-C4' energy: -115.914 flat angles C4'-P-C4' energy: -139.361 flat angles P-C4'-P energy: -94.714 tors. eta vs tors. theta energy: -107.617 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: 8, replica: 3 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1278.820487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.820487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.820487 (E_RNA) where: Base-Base interactions energy: -763.027 where: short stacking energy: -345.331 Base-Backbone interact. energy: -3.214 local terms energy: -512.579512 where: bonds (distance) C4'-P energy: -145.741 bonds (distance) P-C4' energy: -137.302 flat angles C4'-P-C4' energy: -133.631 flat angles P-C4'-P energy: -54.739 tors. eta vs tors. theta energy: -41.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -817.876765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.876765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.876765 (E_RNA) where: Base-Base interactions energy: -393.681 where: short stacking energy: -227.166 Base-Backbone interact. energy: 0.517 local terms energy: -424.712620 where: bonds (distance) C4'-P energy: -138.008 bonds (distance) P-C4' energy: -133.006 flat angles C4'-P-C4' energy: -93.144 flat angles P-C4'-P energy: -74.554 tors. eta vs tors. theta energy: 14.000 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: 10, replica: 9 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -762.690035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.690035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.690035 (E_RNA) where: Base-Base interactions energy: -345.859 where: short stacking energy: -198.387 Base-Backbone interact. energy: -2.321 local terms energy: -414.509908 where: bonds (distance) C4'-P energy: -113.435 bonds (distance) P-C4' energy: -150.742 flat angles C4'-P-C4' energy: -134.312 flat angles P-C4'-P energy: -40.793 tors. eta vs tors. theta energy: 24.772 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: 1, replica: 1 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -2657.226260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.226260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.226260 (E_RNA) where: Base-Base interactions energy: -1812.428 where: short stacking energy: -768.398 Base-Backbone interact. energy: -4.860 local terms energy: -839.938190 where: bonds (distance) C4'-P energy: -152.815 bonds (distance) P-C4' energy: -161.415 flat angles C4'-P-C4' energy: -178.985 flat angles P-C4'-P energy: -123.410 tors. eta vs tors. theta energy: -223.313 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: 2, replica: 2 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -2552.991674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.991674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.991674 (E_RNA) where: Base-Base interactions energy: -1783.759 where: short stacking energy: -742.294 Base-Backbone interact. energy: -2.389 local terms energy: -766.843850 where: bonds (distance) C4'-P energy: -150.704 bonds (distance) P-C4' energy: -145.258 flat angles C4'-P-C4' energy: -167.110 flat angles P-C4'-P energy: -99.469 tors. eta vs tors. theta energy: -204.304 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: 8 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -2463.168459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.168459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.168459 (E_RNA) where: Base-Base interactions energy: -1700.143 where: short stacking energy: -712.097 Base-Backbone interact. energy: -5.866 local terms energy: -757.159091 where: bonds (distance) C4'-P energy: -118.398 bonds (distance) P-C4' energy: -159.990 flat angles C4'-P-C4' energy: -162.500 flat angles P-C4'-P energy: -117.263 tors. eta vs tors. theta energy: -199.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -2327.845850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.845850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.845850 (E_RNA) where: Base-Base interactions energy: -1577.089 where: short stacking energy: -674.297 Base-Backbone interact. energy: -3.282 local terms energy: -747.475337 where: bonds (distance) C4'-P energy: -155.631 bonds (distance) P-C4' energy: -149.675 flat angles C4'-P-C4' energy: -157.517 flat angles P-C4'-P energy: -95.109 tors. eta vs tors. theta energy: -189.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -2043.908368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.908368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.908368 (E_RNA) where: Base-Base interactions energy: -1340.751 where: short stacking energy: -590.647 Base-Backbone interact. energy: 0.556 local terms energy: -703.713951 where: bonds (distance) C4'-P energy: -144.747 bonds (distance) P-C4' energy: -140.371 flat angles C4'-P-C4' energy: -157.130 flat angles P-C4'-P energy: -98.851 tors. eta vs tors. theta energy: -162.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1816.957540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.957540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.957540 (E_RNA) where: Base-Base interactions energy: -1164.592 where: short stacking energy: -494.020 Base-Backbone interact. energy: -2.188 local terms energy: -650.177415 where: bonds (distance) C4'-P energy: -137.667 bonds (distance) P-C4' energy: -141.183 flat angles C4'-P-C4' energy: -143.176 flat angles P-C4'-P energy: -105.785 tors. eta vs tors. theta energy: -122.367 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: 7, replica: 5 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1730.545474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.545474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.545474 (E_RNA) where: Base-Base interactions energy: -1110.519 where: short stacking energy: -516.963 Base-Backbone interact. energy: 1.178 local terms energy: -621.204609 where: bonds (distance) C4'-P energy: -135.498 bonds (distance) P-C4' energy: -143.268 flat angles C4'-P-C4' energy: -138.551 flat angles P-C4'-P energy: -85.486 tors. eta vs tors. theta energy: -118.402 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: 3 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1223.371511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.371511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.371511 (E_RNA) where: Base-Base interactions energy: -724.676 where: short stacking energy: -362.432 Base-Backbone interact. energy: -1.945 local terms energy: -496.751052 where: bonds (distance) C4'-P energy: -111.603 bonds (distance) P-C4' energy: -142.585 flat angles C4'-P-C4' energy: -134.827 flat angles P-C4'-P energy: -63.978 tors. eta vs tors. theta energy: -43.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -832.329694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.329694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.329694 (E_RNA) where: Base-Base interactions energy: -360.342 where: short stacking energy: -207.961 Base-Backbone interact. energy: 2.221 local terms energy: -474.208891 where: bonds (distance) C4'-P energy: -147.576 bonds (distance) P-C4' energy: -152.535 flat angles C4'-P-C4' energy: -108.934 flat angles P-C4'-P energy: -86.377 tors. eta vs tors. theta energy: 21.212 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: 9 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -776.001803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.001803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.001803 (E_RNA) where: Base-Base interactions energy: -352.956 where: short stacking energy: -207.623 Base-Backbone interact. energy: -1.033 local terms energy: -422.011997 where: bonds (distance) C4'-P energy: -135.095 bonds (distance) P-C4' energy: -155.634 flat angles C4'-P-C4' energy: -97.729 flat angles P-C4'-P energy: -53.362 tors. eta vs tors. theta energy: 19.808 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: 1, replica: 1 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -2652.907701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.907701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.907701 (E_RNA) where: Base-Base interactions energy: -1798.809 where: short stacking energy: -762.310 Base-Backbone interact. energy: -5.269 local terms energy: -848.829877 where: bonds (distance) C4'-P energy: -159.993 bonds (distance) P-C4' energy: -167.676 flat angles C4'-P-C4' energy: -171.339 flat angles P-C4'-P energy: -123.140 tors. eta vs tors. theta energy: -226.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -2523.593319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.593319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.593319 (E_RNA) where: Base-Base interactions energy: -1739.080 where: short stacking energy: -703.769 Base-Backbone interact. energy: -3.551 local terms energy: -780.962508 where: bonds (distance) C4'-P energy: -154.161 bonds (distance) P-C4' energy: -148.883 flat angles C4'-P-C4' energy: -168.544 flat angles P-C4'-P energy: -104.775 tors. eta vs tors. theta energy: -204.599 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: 3, replica: 2 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -2471.434643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.434643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.434643 (E_RNA) where: Base-Base interactions energy: -1704.538 where: short stacking energy: -735.390 Base-Backbone interact. energy: -4.095 local terms energy: -762.800860 where: bonds (distance) C4'-P energy: -158.496 bonds (distance) P-C4' energy: -140.479 flat angles C4'-P-C4' energy: -163.218 flat angles P-C4'-P energy: -101.413 tors. eta vs tors. theta energy: -199.195 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: 4, replica: 4 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -2293.198903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.198903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.198903 (E_RNA) where: Base-Base interactions energy: -1535.553 where: short stacking energy: -674.373 Base-Backbone interact. energy: 9.408 local terms energy: -767.054367 where: bonds (distance) C4'-P energy: -151.385 bonds (distance) P-C4' energy: -153.837 flat angles C4'-P-C4' energy: -170.186 flat angles P-C4'-P energy: -114.083 tors. eta vs tors. theta energy: -177.564 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: 6 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -2057.139006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.139006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.139006 (E_RNA) where: Base-Base interactions energy: -1378.176 where: short stacking energy: -589.955 Base-Backbone interact. energy: -0.319 local terms energy: -678.644261 where: bonds (distance) C4'-P energy: -119.421 bonds (distance) P-C4' energy: -151.814 flat angles C4'-P-C4' energy: -147.050 flat angles P-C4'-P energy: -102.377 tors. eta vs tors. theta energy: -157.982 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: 10 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -1761.617394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.617394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.617394 (E_RNA) where: Base-Base interactions energy: -1128.907 where: short stacking energy: -539.649 Base-Backbone interact. energy: 2.368 local terms energy: -635.078728 where: bonds (distance) C4'-P energy: -134.725 bonds (distance) P-C4' energy: -147.256 flat angles C4'-P-C4' energy: -145.318 flat angles P-C4'-P energy: -83.714 tors. eta vs tors. theta energy: -124.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1742.263205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.263205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.263205 (E_RNA) where: Base-Base interactions energy: -1094.145 where: short stacking energy: -493.312 Base-Backbone interact. energy: 4.578 local terms energy: -652.696077 where: bonds (distance) C4'-P energy: -135.337 bonds (distance) P-C4' energy: -140.168 flat angles C4'-P-C4' energy: -141.756 flat angles P-C4'-P energy: -95.628 tors. eta vs tors. theta energy: -139.807 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: 3 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1264.407075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.407075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.407075 (E_RNA) where: Base-Base interactions energy: -727.099 where: short stacking energy: -339.734 Base-Backbone interact. energy: -2.009 local terms energy: -535.299443 where: bonds (distance) C4'-P energy: -145.126 bonds (distance) P-C4' energy: -159.650 flat angles C4'-P-C4' energy: -123.947 flat angles P-C4'-P energy: -64.126 tors. eta vs tors. theta energy: -42.451 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: 7 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -863.172678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.172678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.172678 (E_RNA) where: Base-Base interactions energy: -447.410 where: short stacking energy: -258.740 Base-Backbone interact. energy: 0.695 local terms energy: -416.458362 where: bonds (distance) C4'-P energy: -124.872 bonds (distance) P-C4' energy: -122.199 flat angles C4'-P-C4' energy: -115.401 flat angles P-C4'-P energy: -65.417 tors. eta vs tors. theta energy: 11.430 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: 10, replica: 9 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -750.842822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.842822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.842822 (E_RNA) where: Base-Base interactions energy: -337.043 where: short stacking energy: -208.624 Base-Backbone interact. energy: 0.716 local terms energy: -414.516404 where: bonds (distance) C4'-P energy: -134.517 bonds (distance) P-C4' energy: -123.326 flat angles C4'-P-C4' energy: -80.579 flat angles P-C4'-P energy: -67.086 tors. eta vs tors. theta energy: -9.007 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: 1, replica: 1 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -2638.854860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.854860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.854860 (E_RNA) where: Base-Base interactions energy: -1809.077 where: short stacking energy: -766.133 Base-Backbone interact. energy: -3.484 local terms energy: -826.293773 where: bonds (distance) C4'-P energy: -155.189 bonds (distance) P-C4' energy: -163.466 flat angles C4'-P-C4' energy: -180.195 flat angles P-C4'-P energy: -107.552 tors. eta vs tors. theta energy: -219.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2558.222875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.222875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.222875 (E_RNA) where: Base-Base interactions energy: -1752.651 where: short stacking energy: -696.638 Base-Backbone interact. energy: 1.418 local terms energy: -806.990147 where: bonds (distance) C4'-P energy: -160.021 bonds (distance) P-C4' energy: -151.988 flat angles C4'-P-C4' energy: -179.834 flat angles P-C4'-P energy: -104.729 tors. eta vs tors. theta energy: -210.418 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: 2 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -2493.784348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.784348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.784348 (E_RNA) where: Base-Base interactions energy: -1696.443 where: short stacking energy: -746.277 Base-Backbone interact. energy: 0.689 local terms energy: -798.030328 where: bonds (distance) C4'-P energy: -160.383 bonds (distance) P-C4' energy: -153.625 flat angles C4'-P-C4' energy: -172.605 flat angles P-C4'-P energy: -119.675 tors. eta vs tors. theta energy: -191.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -2326.571446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.571446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.571446 (E_RNA) where: Base-Base interactions energy: -1584.001 where: short stacking energy: -656.232 Base-Backbone interact. energy: -2.068 local terms energy: -740.502100 where: bonds (distance) C4'-P energy: -144.833 bonds (distance) P-C4' energy: -135.671 flat angles C4'-P-C4' energy: -163.975 flat angles P-C4'-P energy: -112.807 tors. eta vs tors. theta energy: -183.216 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: 5, replica: 6 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -2080.178340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.178340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.178340 (E_RNA) where: Base-Base interactions energy: -1359.100 where: short stacking energy: -597.084 Base-Backbone interact. energy: -0.537 local terms energy: -720.541716 where: bonds (distance) C4'-P energy: -142.642 bonds (distance) P-C4' energy: -137.636 flat angles C4'-P-C4' energy: -178.506 flat angles P-C4'-P energy: -97.590 tors. eta vs tors. theta energy: -164.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -1751.394185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.394185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.394185 (E_RNA) where: Base-Base interactions energy: -1091.352 where: short stacking energy: -502.313 Base-Backbone interact. energy: -1.575 local terms energy: -658.466859 where: bonds (distance) C4'-P energy: -133.804 bonds (distance) P-C4' energy: -157.400 flat angles C4'-P-C4' energy: -155.191 flat angles P-C4'-P energy: -88.721 tors. eta vs tors. theta energy: -123.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1767.531160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.531160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.531160 (E_RNA) where: Base-Base interactions energy: -1118.199 where: short stacking energy: -510.475 Base-Backbone interact. energy: -1.229 local terms energy: -648.103338 where: bonds (distance) C4'-P energy: -129.936 bonds (distance) P-C4' energy: -154.995 flat angles C4'-P-C4' energy: -140.816 flat angles P-C4'-P energy: -88.462 tors. eta vs tors. theta energy: -133.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1266.610676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.610676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.610676 (E_RNA) where: Base-Base interactions energy: -741.172 where: short stacking energy: -356.151 Base-Backbone interact. energy: -2.471 local terms energy: -522.966929 where: bonds (distance) C4'-P energy: -109.736 bonds (distance) P-C4' energy: -133.065 flat angles C4'-P-C4' energy: -131.137 flat angles P-C4'-P energy: -92.237 tors. eta vs tors. theta energy: -56.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -962.095038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.095038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.095038 (E_RNA) where: Base-Base interactions energy: -490.069 where: short stacking energy: -284.908 Base-Backbone interact. energy: 0.150 local terms energy: -472.176355 where: bonds (distance) C4'-P energy: -136.093 bonds (distance) P-C4' energy: -123.252 flat angles C4'-P-C4' energy: -125.900 flat angles P-C4'-P energy: -65.732 tors. eta vs tors. theta energy: -21.198 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: 9 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -768.234591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.234591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.234591 (E_RNA) where: Base-Base interactions energy: -291.629 where: short stacking energy: -181.727 Base-Backbone interact. energy: 6.512 local terms energy: -483.117787 where: bonds (distance) C4'-P energy: -133.118 bonds (distance) P-C4' energy: -150.700 flat angles C4'-P-C4' energy: -147.845 flat angles P-C4'-P energy: -63.339 tors. eta vs tors. theta energy: 11.884 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: 1 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -2625.618628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.618628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.618628 (E_RNA) where: Base-Base interactions energy: -1816.548 where: short stacking energy: -743.395 Base-Backbone interact. energy: 0.781 local terms energy: -809.851565 where: bonds (distance) C4'-P energy: -141.633 bonds (distance) P-C4' energy: -167.244 flat angles C4'-P-C4' energy: -179.311 flat angles P-C4'-P energy: -117.180 tors. eta vs tors. theta energy: -204.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -2609.603182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.603182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.603182 (E_RNA) where: Base-Base interactions energy: -1765.295 where: short stacking energy: -745.957 Base-Backbone interact. energy: -6.297 local terms energy: -838.011920 where: bonds (distance) C4'-P energy: -147.468 bonds (distance) P-C4' energy: -173.495 flat angles C4'-P-C4' energy: -174.604 flat angles P-C4'-P energy: -119.912 tors. eta vs tors. theta energy: -222.532 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: 3, replica: 2 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -2476.458843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.458843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.458843 (E_RNA) where: Base-Base interactions energy: -1663.679 where: short stacking energy: -732.668 Base-Backbone interact. energy: 0.696 local terms energy: -813.475072 where: bonds (distance) C4'-P energy: -150.030 bonds (distance) P-C4' energy: -157.628 flat angles C4'-P-C4' energy: -174.996 flat angles P-C4'-P energy: -112.846 tors. eta vs tors. theta energy: -217.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -2313.957084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.957084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.957084 (E_RNA) where: Base-Base interactions energy: -1559.933 where: short stacking energy: -678.282 Base-Backbone interact. energy: 1.820 local terms energy: -755.843957 where: bonds (distance) C4'-P energy: -136.866 bonds (distance) P-C4' energy: -144.990 flat angles C4'-P-C4' energy: -165.724 flat angles P-C4'-P energy: -115.734 tors. eta vs tors. theta energy: -192.529 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: 6 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -2070.313644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.313644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.313644 (E_RNA) where: Base-Base interactions energy: -1364.218 where: short stacking energy: -604.247 Base-Backbone interact. energy: -0.816 local terms energy: -705.279886 where: bonds (distance) C4'-P energy: -140.280 bonds (distance) P-C4' energy: -163.584 flat angles C4'-P-C4' energy: -149.623 flat angles P-C4'-P energy: -89.377 tors. eta vs tors. theta energy: -162.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -1734.322242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.322242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.322242 (E_RNA) where: Base-Base interactions energy: -1117.480 where: short stacking energy: -485.484 Base-Backbone interact. energy: 0.224 local terms energy: -617.066272 where: bonds (distance) C4'-P energy: -145.401 bonds (distance) P-C4' energy: -140.317 flat angles C4'-P-C4' energy: -134.278 flat angles P-C4'-P energy: -91.278 tors. eta vs tors. theta energy: -105.791 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: 5 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1730.076315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.076315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.076315 (E_RNA) where: Base-Base interactions energy: -1137.280 where: short stacking energy: -508.545 Base-Backbone interact. energy: 1.189 local terms energy: -593.984874 where: bonds (distance) C4'-P energy: -128.522 bonds (distance) P-C4' energy: -134.438 flat angles C4'-P-C4' energy: -142.886 flat angles P-C4'-P energy: -87.923 tors. eta vs tors. theta energy: -100.217 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: 8, replica: 3 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1286.999062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.999062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.999062 (E_RNA) where: Base-Base interactions energy: -712.827 where: short stacking energy: -362.601 Base-Backbone interact. energy: -3.858 local terms energy: -570.314603 where: bonds (distance) C4'-P energy: -130.027 bonds (distance) P-C4' energy: -156.805 flat angles C4'-P-C4' energy: -141.622 flat angles P-C4'-P energy: -85.572 tors. eta vs tors. theta energy: -56.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -960.021575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.021575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.021575 (E_RNA) where: Base-Base interactions energy: -542.003 where: short stacking energy: -282.909 Base-Backbone interact. energy: 5.666 local terms energy: -423.684387 where: bonds (distance) C4'-P energy: -119.232 bonds (distance) P-C4' energy: -135.866 flat angles C4'-P-C4' energy: -116.305 flat angles P-C4'-P energy: -58.199 tors. eta vs tors. theta energy: 5.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -803.914703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.914703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.914703 (E_RNA) where: Base-Base interactions energy: -371.585 where: short stacking energy: -245.410 Base-Backbone interact. energy: -1.204 local terms energy: -431.126007 where: bonds (distance) C4'-P energy: -89.568 bonds (distance) P-C4' energy: -130.604 flat angles C4'-P-C4' energy: -138.962 flat angles P-C4'-P energy: -70.024 tors. eta vs tors. theta energy: -1.968 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: 1 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -2655.565672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.565672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.565672 (E_RNA) where: Base-Base interactions energy: -1806.679 where: short stacking energy: -772.653 Base-Backbone interact. energy: -3.252 local terms energy: -845.634885 where: bonds (distance) C4'-P energy: -167.504 bonds (distance) P-C4' energy: -159.914 flat angles C4'-P-C4' energy: -187.269 flat angles P-C4'-P energy: -116.924 tors. eta vs tors. theta energy: -214.024 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: 2, replica: 8 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -2624.908995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.908995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.908995 (E_RNA) where: Base-Base interactions energy: -1808.670 where: short stacking energy: -741.319 Base-Backbone interact. energy: -3.798 local terms energy: -812.440930 where: bonds (distance) C4'-P energy: -157.981 bonds (distance) P-C4' energy: -155.858 flat angles C4'-P-C4' energy: -171.373 flat angles P-C4'-P energy: -114.523 tors. eta vs tors. theta energy: -212.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -2482.135945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.135945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.135945 (E_RNA) where: Base-Base interactions energy: -1674.786 where: short stacking energy: -757.314 Base-Backbone interact. energy: 3.334 local terms energy: -810.684154 where: bonds (distance) C4'-P energy: -151.954 bonds (distance) P-C4' energy: -172.192 flat angles C4'-P-C4' energy: -163.712 flat angles P-C4'-P energy: -116.152 tors. eta vs tors. theta energy: -206.673 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: 4, replica: 4 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -2327.679380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.679380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.679380 (E_RNA) where: Base-Base interactions energy: -1551.411 where: short stacking energy: -656.825 Base-Backbone interact. energy: -6.053 local terms energy: -770.216076 where: bonds (distance) C4'-P energy: -152.360 bonds (distance) P-C4' energy: -155.901 flat angles C4'-P-C4' energy: -155.765 flat angles P-C4'-P energy: -123.986 tors. eta vs tors. theta energy: -182.204 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: 6 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -1986.785899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.785899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.785899 (E_RNA) where: Base-Base interactions energy: -1315.615 where: short stacking energy: -582.177 Base-Backbone interact. energy: -1.215 local terms energy: -669.956286 where: bonds (distance) C4'-P energy: -142.916 bonds (distance) P-C4' energy: -131.812 flat angles C4'-P-C4' energy: -158.848 flat angles P-C4'-P energy: -78.203 tors. eta vs tors. theta energy: -158.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1804.085722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.085722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.085722 (E_RNA) where: Base-Base interactions energy: -1138.190 where: short stacking energy: -513.897 Base-Backbone interact. energy: 0.113 local terms energy: -666.008690 where: bonds (distance) C4'-P energy: -142.674 bonds (distance) P-C4' energy: -139.509 flat angles C4'-P-C4' energy: -153.220 flat angles P-C4'-P energy: -109.163 tors. eta vs tors. theta energy: -121.443 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: 5 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1665.751100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.751100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.751100 (E_RNA) where: Base-Base interactions energy: -1046.088 where: short stacking energy: -480.298 Base-Backbone interact. energy: -1.674 local terms energy: -617.989305 where: bonds (distance) C4'-P energy: -153.942 bonds (distance) P-C4' energy: -124.438 flat angles C4'-P-C4' energy: -127.736 flat angles P-C4'-P energy: -96.497 tors. eta vs tors. theta energy: -115.377 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: 8, replica: 3 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1231.661880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.661880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.661880 (E_RNA) where: Base-Base interactions energy: -744.159 where: short stacking energy: -345.918 Base-Backbone interact. energy: -0.994 local terms energy: -486.509140 where: bonds (distance) C4'-P energy: -133.299 bonds (distance) P-C4' energy: -106.120 flat angles C4'-P-C4' energy: -127.797 flat angles P-C4'-P energy: -83.352 tors. eta vs tors. theta energy: -35.941 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: 9, replica: 7 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -1007.149029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.149029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.149029 (E_RNA) where: Base-Base interactions energy: -517.867 where: short stacking energy: -272.209 Base-Backbone interact. energy: -0.495 local terms energy: -488.786980 where: bonds (distance) C4'-P energy: -145.593 bonds (distance) P-C4' energy: -127.271 flat angles C4'-P-C4' energy: -108.751 flat angles P-C4'-P energy: -89.672 tors. eta vs tors. theta energy: -17.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -818.734034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.734034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.734034 (E_RNA) where: Base-Base interactions energy: -366.198 where: short stacking energy: -214.118 Base-Backbone interact. energy: 1.929 local terms energy: -454.464748 where: bonds (distance) C4'-P energy: -135.714 bonds (distance) P-C4' energy: -134.323 flat angles C4'-P-C4' energy: -123.175 flat angles P-C4'-P energy: -83.843 tors. eta vs tors. theta energy: 22.590 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: 1 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -2636.481487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.481487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.481487 (E_RNA) where: Base-Base interactions energy: -1810.696 where: short stacking energy: -763.863 Base-Backbone interact. energy: 1.836 local terms energy: -827.621157 where: bonds (distance) C4'-P energy: -162.735 bonds (distance) P-C4' energy: -179.315 flat angles C4'-P-C4' energy: -186.170 flat angles P-C4'-P energy: -97.221 tors. eta vs tors. theta energy: -202.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -2579.724563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.724563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.724563 (E_RNA) where: Base-Base interactions energy: -1802.080 where: short stacking energy: -734.666 Base-Backbone interact. energy: -3.443 local terms energy: -774.201951 where: bonds (distance) C4'-P energy: -138.726 bonds (distance) P-C4' energy: -150.267 flat angles C4'-P-C4' energy: -150.655 flat angles P-C4'-P energy: -120.459 tors. eta vs tors. theta energy: -214.094 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: 2 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -2448.820350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.820350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.820350 (E_RNA) where: Base-Base interactions energy: -1654.043 where: short stacking energy: -703.370 Base-Backbone interact. energy: 4.848 local terms energy: -799.625250 where: bonds (distance) C4'-P energy: -151.360 bonds (distance) P-C4' energy: -166.809 flat angles C4'-P-C4' energy: -164.140 flat angles P-C4'-P energy: -108.914 tors. eta vs tors. theta energy: -208.402 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: 4 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -2358.564266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.564266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.564266 (E_RNA) where: Base-Base interactions energy: -1582.399 where: short stacking energy: -681.807 Base-Backbone interact. energy: -0.329 local terms energy: -775.835986 where: bonds (distance) C4'-P energy: -165.192 bonds (distance) P-C4' energy: -139.351 flat angles C4'-P-C4' energy: -171.457 flat angles P-C4'-P energy: -107.308 tors. eta vs tors. theta energy: -192.528 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: 6 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -1983.380706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.380706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.380706 (E_RNA) where: Base-Base interactions energy: -1261.956 where: short stacking energy: -563.893 Base-Backbone interact. energy: -3.354 local terms energy: -718.070605 where: bonds (distance) C4'-P energy: -154.441 bonds (distance) P-C4' energy: -162.368 flat angles C4'-P-C4' energy: -159.526 flat angles P-C4'-P energy: -99.544 tors. eta vs tors. theta energy: -142.192 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: 6, replica: 10 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -1767.287215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.287215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.287215 (E_RNA) where: Base-Base interactions energy: -1113.822 where: short stacking energy: -464.518 Base-Backbone interact. energy: -3.181 local terms energy: -650.283531 where: bonds (distance) C4'-P energy: -148.558 bonds (distance) P-C4' energy: -151.225 flat angles C4'-P-C4' energy: -150.518 flat angles P-C4'-P energy: -100.825 tors. eta vs tors. theta energy: -99.157 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: 7, replica: 5 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1637.456879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.456879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.456879 (E_RNA) where: Base-Base interactions energy: -1082.165 where: short stacking energy: -504.860 Base-Backbone interact. energy: -2.463 local terms energy: -552.829317 where: bonds (distance) C4'-P energy: -114.964 bonds (distance) P-C4' energy: -121.184 flat angles C4'-P-C4' energy: -129.440 flat angles P-C4'-P energy: -94.830 tors. eta vs tors. theta energy: -92.413 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: 8, replica: 3 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1239.013430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.013430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.013430 (E_RNA) where: Base-Base interactions energy: -732.832 where: short stacking energy: -374.986 Base-Backbone interact. energy: 1.166 local terms energy: -507.347670 where: bonds (distance) C4'-P energy: -115.395 bonds (distance) P-C4' energy: -146.353 flat angles C4'-P-C4' energy: -115.108 flat angles P-C4'-P energy: -72.408 tors. eta vs tors. theta energy: -58.085 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: 9, replica: 7 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -957.786394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.786394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.786394 (E_RNA) where: Base-Base interactions energy: -466.919 where: short stacking energy: -276.345 Base-Backbone interact. energy: -2.193 local terms energy: -488.675040 where: bonds (distance) C4'-P energy: -118.072 bonds (distance) P-C4' energy: -139.170 flat angles C4'-P-C4' energy: -126.199 flat angles P-C4'-P energy: -89.011 tors. eta vs tors. theta energy: -16.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -830.975305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.975305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.975305 (E_RNA) where: Base-Base interactions energy: -387.199 where: short stacking energy: -197.112 Base-Backbone interact. energy: 8.168 local terms energy: -451.944152 where: bonds (distance) C4'-P energy: -130.331 bonds (distance) P-C4' energy: -123.460 flat angles C4'-P-C4' energy: -136.617 flat angles P-C4'-P energy: -71.699 tors. eta vs tors. theta energy: 10.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -2655.034514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.034514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.034514 (E_RNA) where: Base-Base interactions energy: -1835.767 where: short stacking energy: -751.064 Base-Backbone interact. energy: -2.033 local terms energy: -817.233790 where: bonds (distance) C4'-P energy: -149.167 bonds (distance) P-C4' energy: -159.032 flat angles C4'-P-C4' energy: -175.876 flat angles P-C4'-P energy: -118.424 tors. eta vs tors. theta energy: -214.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -2565.781847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.781847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.781847 (E_RNA) where: Base-Base interactions energy: -1748.337 where: short stacking energy: -704.431 Base-Backbone interact. energy: -4.115 local terms energy: -813.329664 where: bonds (distance) C4'-P energy: -137.753 bonds (distance) P-C4' energy: -174.915 flat angles C4'-P-C4' energy: -189.711 flat angles P-C4'-P energy: -111.293 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: 3, replica: 2 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -2470.155768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.155768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.155768 (E_RNA) where: Base-Base interactions energy: -1690.458 where: short stacking energy: -727.357 Base-Backbone interact. energy: -1.175 local terms energy: -778.522115 where: bonds (distance) C4'-P energy: -150.270 bonds (distance) P-C4' energy: -148.794 flat angles C4'-P-C4' energy: -175.140 flat angles P-C4'-P energy: -101.631 tors. eta vs tors. theta energy: -202.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -2308.770788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.770788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.770788 (E_RNA) where: Base-Base interactions energy: -1557.382 where: short stacking energy: -658.359 Base-Backbone interact. energy: -1.296 local terms energy: -750.092304 where: bonds (distance) C4'-P energy: -134.063 bonds (distance) P-C4' energy: -156.782 flat angles C4'-P-C4' energy: -165.228 flat angles P-C4'-P energy: -96.383 tors. eta vs tors. theta energy: -197.636 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: 6 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -2025.421155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.421155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.421155 (E_RNA) where: Base-Base interactions energy: -1359.731 where: short stacking energy: -620.541 Base-Backbone interact. energy: -1.336 local terms energy: -664.353478 where: bonds (distance) C4'-P energy: -116.876 bonds (distance) P-C4' energy: -115.422 flat angles C4'-P-C4' energy: -161.798 flat angles P-C4'-P energy: -108.413 tors. eta vs tors. theta energy: -161.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -1695.461652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.461652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.461652 (E_RNA) where: Base-Base interactions energy: -1076.184 where: short stacking energy: -452.386 Base-Backbone interact. energy: -2.222 local terms energy: -617.055375 where: bonds (distance) C4'-P energy: -136.285 bonds (distance) P-C4' energy: -142.118 flat angles C4'-P-C4' energy: -145.421 flat angles P-C4'-P energy: -97.665 tors. eta vs tors. theta energy: -95.566 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: 5 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1642.597782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.597782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.597782 (E_RNA) where: Base-Base interactions energy: -1037.626 where: short stacking energy: -470.743 Base-Backbone interact. energy: 2.501 local terms energy: -607.472319 where: bonds (distance) C4'-P energy: -115.748 bonds (distance) P-C4' energy: -157.047 flat angles C4'-P-C4' energy: -147.306 flat angles P-C4'-P energy: -75.750 tors. eta vs tors. theta energy: -111.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1175.005034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.005034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.005034 (E_RNA) where: Base-Base interactions energy: -666.179 where: short stacking energy: -307.584 Base-Backbone interact. energy: 3.374 local terms energy: -512.200223 where: bonds (distance) C4'-P energy: -143.032 bonds (distance) P-C4' energy: -139.539 flat angles C4'-P-C4' energy: -120.928 flat angles P-C4'-P energy: -84.132 tors. eta vs tors. theta energy: -24.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -891.719429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.719429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.719429 (E_RNA) where: Base-Base interactions energy: -438.548 where: short stacking energy: -258.059 Base-Backbone interact. energy: -1.927 local terms energy: -451.244123 where: bonds (distance) C4'-P energy: -117.511 bonds (distance) P-C4' energy: -137.818 flat angles C4'-P-C4' energy: -124.693 flat angles P-C4'-P energy: -65.430 tors. eta vs tors. theta energy: -5.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -856.514038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.514038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.514038 (E_RNA) where: Base-Base interactions energy: -448.174 where: short stacking energy: -243.455 Base-Backbone interact. energy: -2.615 local terms energy: -405.725020 where: bonds (distance) C4'-P energy: -114.433 bonds (distance) P-C4' energy: -118.007 flat angles C4'-P-C4' energy: -112.671 flat angles P-C4'-P energy: -68.537 tors. eta vs tors. theta energy: 7.923 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: 1, replica: 8 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -2673.407024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.407024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.407024 (E_RNA) where: Base-Base interactions energy: -1849.720 where: short stacking energy: -744.174 Base-Backbone interact. energy: -4.017 local terms energy: -819.669832 where: bonds (distance) C4'-P energy: -152.514 bonds (distance) P-C4' energy: -169.107 flat angles C4'-P-C4' energy: -177.290 flat angles P-C4'-P energy: -102.934 tors. eta vs tors. theta energy: -217.825 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: 1 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2568.051350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.051350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.051350 (E_RNA) where: Base-Base interactions energy: -1764.782 where: short stacking energy: -702.843 Base-Backbone interact. energy: -1.488 local terms energy: -801.781620 where: bonds (distance) C4'-P energy: -160.448 bonds (distance) P-C4' energy: -146.845 flat angles C4'-P-C4' energy: -166.875 flat angles P-C4'-P energy: -126.694 tors. eta vs tors. theta energy: -200.920 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: 3, replica: 2 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2470.844349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.844349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.844349 (E_RNA) where: Base-Base interactions energy: -1683.010 where: short stacking energy: -723.921 Base-Backbone interact. energy: -4.593 local terms energy: -783.240514 where: bonds (distance) C4'-P energy: -141.276 bonds (distance) P-C4' energy: -166.390 flat angles C4'-P-C4' energy: -159.855 flat angles P-C4'-P energy: -116.873 tors. eta vs tors. theta energy: -198.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -2283.677371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.677371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.677371 (E_RNA) where: Base-Base interactions energy: -1547.080 where: short stacking energy: -687.184 Base-Backbone interact. energy: -0.249 local terms energy: -736.348383 where: bonds (distance) C4'-P energy: -143.487 bonds (distance) P-C4' energy: -150.475 flat angles C4'-P-C4' energy: -163.424 flat angles P-C4'-P energy: -100.394 tors. eta vs tors. theta energy: -178.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -2033.143226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.143226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.143226 (E_RNA) where: Base-Base interactions energy: -1365.841 where: short stacking energy: -616.800 Base-Backbone interact. energy: 1.355 local terms energy: -668.657130 where: bonds (distance) C4'-P energy: -146.702 bonds (distance) P-C4' energy: -146.584 flat angles C4'-P-C4' energy: -162.246 flat angles P-C4'-P energy: -70.164 tors. eta vs tors. theta energy: -142.960 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: 6, replica: 10 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1699.392054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.392054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.392054 (E_RNA) where: Base-Base interactions energy: -1060.890 where: short stacking energy: -483.418 Base-Backbone interact. energy: 1.460 local terms energy: -639.962058 where: bonds (distance) C4'-P energy: -142.672 bonds (distance) P-C4' energy: -153.124 flat angles C4'-P-C4' energy: -155.657 flat angles P-C4'-P energy: -83.301 tors. eta vs tors. theta energy: -105.209 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: 5 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1681.906356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.906356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.906356 (E_RNA) where: Base-Base interactions energy: -1069.533 where: short stacking energy: -467.704 Base-Backbone interact. energy: -4.613 local terms energy: -607.760125 where: bonds (distance) C4'-P energy: -118.234 bonds (distance) P-C4' energy: -149.635 flat angles C4'-P-C4' energy: -145.921 flat angles P-C4'-P energy: -81.000 tors. eta vs tors. theta energy: -112.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1264.065611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.065611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.065611 (E_RNA) where: Base-Base interactions energy: -739.714 where: short stacking energy: -354.501 Base-Backbone interact. energy: -1.966 local terms energy: -522.386196 where: bonds (distance) C4'-P energy: -136.200 bonds (distance) P-C4' energy: -126.268 flat angles C4'-P-C4' energy: -116.809 flat angles P-C4'-P energy: -82.691 tors. eta vs tors. theta energy: -60.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -947.016987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.016987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.016987 (E_RNA) where: Base-Base interactions energy: -484.844 where: short stacking energy: -285.368 Base-Backbone interact. energy: 0.401 local terms energy: -462.574057 where: bonds (distance) C4'-P energy: -137.501 bonds (distance) P-C4' energy: -150.047 flat angles C4'-P-C4' energy: -122.286 flat angles P-C4'-P energy: -55.263 tors. eta vs tors. theta energy: 2.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -879.913777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.913777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.913777 (E_RNA) where: Base-Base interactions energy: -440.614 where: short stacking energy: -237.262 Base-Backbone interact. energy: 0.047 local terms energy: -439.346808 where: bonds (distance) C4'-P energy: -137.423 bonds (distance) P-C4' energy: -122.307 flat angles C4'-P-C4' energy: -121.108 flat angles P-C4'-P energy: -60.646 tors. eta vs tors. theta energy: 2.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -2681.981727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.981727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.981727 (E_RNA) where: Base-Base interactions energy: -1845.603 where: short stacking energy: -752.859 Base-Backbone interact. energy: 2.077 local terms energy: -838.455608 where: bonds (distance) C4'-P energy: -149.396 bonds (distance) P-C4' energy: -154.861 flat angles C4'-P-C4' energy: -182.449 flat angles P-C4'-P energy: -130.099 tors. eta vs tors. theta energy: -221.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -2586.067811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.067811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.067811 (E_RNA) where: Base-Base interactions energy: -1787.494 where: short stacking energy: -752.595 Base-Backbone interact. energy: -1.857 local terms energy: -796.717480 where: bonds (distance) C4'-P energy: -154.596 bonds (distance) P-C4' energy: -146.988 flat angles C4'-P-C4' energy: -176.673 flat angles P-C4'-P energy: -99.092 tors. eta vs tors. theta energy: -219.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2456.215401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.215401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.215401 (E_RNA) where: Base-Base interactions energy: -1646.772 where: short stacking energy: -699.658 Base-Backbone interact. energy: 2.446 local terms energy: -811.889564 where: bonds (distance) C4'-P energy: -144.244 bonds (distance) P-C4' energy: -148.116 flat angles C4'-P-C4' energy: -195.003 flat angles P-C4'-P energy: -119.021 tors. eta vs tors. theta energy: -205.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -2302.756593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.756593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.756593 (E_RNA) where: Base-Base interactions energy: -1528.692 where: short stacking energy: -703.719 Base-Backbone interact. energy: -7.079 local terms energy: -766.985265 where: bonds (distance) C4'-P energy: -149.705 bonds (distance) P-C4' energy: -132.810 flat angles C4'-P-C4' energy: -170.848 flat angles P-C4'-P energy: -108.093 tors. eta vs tors. theta energy: -205.530 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: 6 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -1984.504134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.504134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.504134 (E_RNA) where: Base-Base interactions energy: -1309.782 where: short stacking energy: -580.309 Base-Backbone interact. energy: 0.986 local terms energy: -675.708354 where: bonds (distance) C4'-P energy: -140.091 bonds (distance) P-C4' energy: -132.766 flat angles C4'-P-C4' energy: -162.314 flat angles P-C4'-P energy: -94.755 tors. eta vs tors. theta energy: -145.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -1734.679888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.679888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.679888 (E_RNA) where: Base-Base interactions energy: -1095.665 where: short stacking energy: -482.232 Base-Backbone interact. energy: -1.617 local terms energy: -637.397709 where: bonds (distance) C4'-P energy: -116.346 bonds (distance) P-C4' energy: -162.541 flat angles C4'-P-C4' energy: -165.122 flat angles P-C4'-P energy: -80.709 tors. eta vs tors. theta energy: -112.679 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: 7, replica: 5 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1693.689019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.689019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.689019 (E_RNA) where: Base-Base interactions energy: -1090.946 where: short stacking energy: -478.866 Base-Backbone interact. energy: -2.967 local terms energy: -599.776288 where: bonds (distance) C4'-P energy: -126.336 bonds (distance) P-C4' energy: -148.338 flat angles C4'-P-C4' energy: -144.455 flat angles P-C4'-P energy: -76.669 tors. eta vs tors. theta energy: -103.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1249.098600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.098600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.098600 (E_RNA) where: Base-Base interactions energy: -706.441 where: short stacking energy: -351.745 Base-Backbone interact. energy: 0.505 local terms energy: -543.162460 where: bonds (distance) C4'-P energy: -148.097 bonds (distance) P-C4' energy: -119.578 flat angles C4'-P-C4' energy: -134.668 flat angles P-C4'-P energy: -91.076 tors. eta vs tors. theta energy: -49.743 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: 9 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -914.846947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.846947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.846947 (E_RNA) where: Base-Base interactions energy: -460.163 where: short stacking energy: -276.446 Base-Backbone interact. energy: 2.217 local terms energy: -456.900553 where: bonds (distance) C4'-P energy: -126.740 bonds (distance) P-C4' energy: -137.333 flat angles C4'-P-C4' energy: -118.387 flat angles P-C4'-P energy: -78.590 tors. eta vs tors. theta energy: 4.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -704.102834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.102834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.102834 (E_RNA) where: Base-Base interactions energy: -294.962 where: short stacking energy: -173.861 Base-Backbone interact. energy: 4.509 local terms energy: -413.650529 where: bonds (distance) C4'-P energy: -125.695 bonds (distance) P-C4' energy: -143.827 flat angles C4'-P-C4' energy: -114.687 flat angles P-C4'-P energy: -53.798 tors. eta vs tors. theta energy: 24.355 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: 1, replica: 8 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -2709.853829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.853829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.853829 (E_RNA) where: Base-Base interactions energy: -1862.444 where: short stacking energy: -761.907 Base-Backbone interact. energy: -3.404 local terms energy: -844.005651 where: bonds (distance) C4'-P energy: -175.604 bonds (distance) P-C4' energy: -148.989 flat angles C4'-P-C4' energy: -183.048 flat angles P-C4'-P energy: -118.683 tors. eta vs tors. theta energy: -217.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2572.679724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.679724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.679724 (E_RNA) where: Base-Base interactions energy: -1754.264 where: short stacking energy: -691.411 Base-Backbone interact. energy: 0.734 local terms energy: -819.150154 where: bonds (distance) C4'-P energy: -169.913 bonds (distance) P-C4' energy: -161.109 flat angles C4'-P-C4' energy: -178.308 flat angles P-C4'-P energy: -110.963 tors. eta vs tors. theta energy: -198.857 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: 2 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2497.089512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.089512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.089512 (E_RNA) where: Base-Base interactions energy: -1699.099 where: short stacking energy: -732.450 Base-Backbone interact. energy: -1.530 local terms energy: -796.460340 where: bonds (distance) C4'-P energy: -151.951 bonds (distance) P-C4' energy: -143.338 flat angles C4'-P-C4' energy: -177.233 flat angles P-C4'-P energy: -114.591 tors. eta vs tors. theta energy: -209.348 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: 205 Temperature: 1.050000 Total energy: -2299.597260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.597260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.597260 (E_RNA) where: Base-Base interactions energy: -1561.609 where: short stacking energy: -674.812 Base-Backbone interact. energy: 0.020 local terms energy: -738.008077 where: bonds (distance) C4'-P energy: -140.512 bonds (distance) P-C4' energy: -143.566 flat angles C4'-P-C4' energy: -166.261 flat angles P-C4'-P energy: -105.661 tors. eta vs tors. theta energy: -182.009 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: 5, replica: 6 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -2029.841668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.841668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.841668 (E_RNA) where: Base-Base interactions energy: -1348.393 where: short stacking energy: -571.561 Base-Backbone interact. energy: -2.684 local terms energy: -678.763949 where: bonds (distance) C4'-P energy: -161.343 bonds (distance) P-C4' energy: -146.476 flat angles C4'-P-C4' energy: -151.391 flat angles P-C4'-P energy: -85.891 tors. eta vs tors. theta energy: -133.662 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: 205 Temperature: 1.150000 Total energy: -1742.259434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.259434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.259434 (E_RNA) where: Base-Base interactions energy: -1103.875 where: short stacking energy: -502.653 Base-Backbone interact. energy: -0.280 local terms energy: -638.103666 where: bonds (distance) C4'-P energy: -131.233 bonds (distance) P-C4' energy: -146.957 flat angles C4'-P-C4' energy: -151.365 flat angles P-C4'-P energy: -92.710 tors. eta vs tors. theta energy: -115.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1673.039041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.039041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.039041 (E_RNA) where: Base-Base interactions energy: -1123.993 where: short stacking energy: -487.390 Base-Backbone interact. energy: 4.406 local terms energy: -553.452455 where: bonds (distance) C4'-P energy: -116.522 bonds (distance) P-C4' energy: -137.788 flat angles C4'-P-C4' energy: -122.697 flat angles P-C4'-P energy: -73.358 tors. eta vs tors. theta energy: -103.088 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: 8, replica: 3 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1290.283349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.283349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.283349 (E_RNA) where: Base-Base interactions energy: -765.132 where: short stacking energy: -352.641 Base-Backbone interact. energy: 0.356 local terms energy: -525.506595 where: bonds (distance) C4'-P energy: -126.884 bonds (distance) P-C4' energy: -136.769 flat angles C4'-P-C4' energy: -129.619 flat angles P-C4'-P energy: -84.983 tors. eta vs tors. theta energy: -47.252 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: 205 Temperature: 1.300000 Total energy: -931.097181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.097181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.097181 (E_RNA) where: Base-Base interactions energy: -435.555 where: short stacking energy: -261.512 Base-Backbone interact. energy: -2.181 local terms energy: -493.360946 where: bonds (distance) C4'-P energy: -131.338 bonds (distance) P-C4' energy: -136.996 flat angles C4'-P-C4' energy: -117.088 flat angles P-C4'-P energy: -81.651 tors. eta vs tors. theta energy: -26.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -684.925163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.925163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.925163 (E_RNA) where: Base-Base interactions energy: -254.776 where: short stacking energy: -176.149 Base-Backbone interact. energy: 3.639 local terms energy: -433.788310 where: bonds (distance) C4'-P energy: -130.073 bonds (distance) P-C4' energy: -128.079 flat angles C4'-P-C4' energy: -125.010 flat angles P-C4'-P energy: -77.880 tors. eta vs tors. theta energy: 27.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -2656.876274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.876274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.876274 (E_RNA) where: Base-Base interactions energy: -1852.453 where: short stacking energy: -734.795 Base-Backbone interact. energy: -5.338 local terms energy: -799.085516 where: bonds (distance) C4'-P energy: -151.253 bonds (distance) P-C4' energy: -157.447 flat angles C4'-P-C4' energy: -165.063 flat angles P-C4'-P energy: -109.314 tors. eta vs tors. theta energy: -216.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -2560.754304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.754304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.754304 (E_RNA) where: Base-Base interactions energy: -1763.398 where: short stacking energy: -732.877 Base-Backbone interact. energy: -3.933 local terms energy: -793.423252 where: bonds (distance) C4'-P energy: -152.661 bonds (distance) P-C4' energy: -166.012 flat angles C4'-P-C4' energy: -172.818 flat angles P-C4'-P energy: -102.610 tors. eta vs tors. theta energy: -199.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -2518.722310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.722310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.722310 (E_RNA) where: Base-Base interactions energy: -1705.554 where: short stacking energy: -699.538 Base-Backbone interact. energy: -5.114 local terms energy: -808.053660 where: bonds (distance) C4'-P energy: -143.300 bonds (distance) P-C4' energy: -157.876 flat angles C4'-P-C4' energy: -173.101 flat angles P-C4'-P energy: -116.822 tors. eta vs tors. theta energy: -216.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -2354.293590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.293590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.293590 (E_RNA) where: Base-Base interactions energy: -1558.035 where: short stacking energy: -684.963 Base-Backbone interact. energy: 0.190 local terms energy: -796.448980 where: bonds (distance) C4'-P energy: -144.332 bonds (distance) P-C4' energy: -154.721 flat angles C4'-P-C4' energy: -174.610 flat angles P-C4'-P energy: -118.346 tors. eta vs tors. theta energy: -204.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -1994.903438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.903438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.903438 (E_RNA) where: Base-Base interactions energy: -1296.204 where: short stacking energy: -587.480 Base-Backbone interact. energy: -2.044 local terms energy: -696.654511 where: bonds (distance) C4'-P energy: -139.305 bonds (distance) P-C4' energy: -146.144 flat angles C4'-P-C4' energy: -154.546 flat angles P-C4'-P energy: -96.310 tors. eta vs tors. theta energy: -160.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -1809.613379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.613379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.613379 (E_RNA) where: Base-Base interactions energy: -1143.029 where: short stacking energy: -522.444 Base-Backbone interact. energy: -3.896 local terms energy: -662.687593 where: bonds (distance) C4'-P energy: -148.521 bonds (distance) P-C4' energy: -157.190 flat angles C4'-P-C4' energy: -152.140 flat angles P-C4'-P energy: -78.911 tors. eta vs tors. theta energy: -125.926 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: 7, replica: 10 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1577.141489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.141489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.141489 (E_RNA) where: Base-Base interactions energy: -1020.442 where: short stacking energy: -445.370 Base-Backbone interact. energy: 0.477 local terms energy: -557.176374 where: bonds (distance) C4'-P energy: -118.861 bonds (distance) P-C4' energy: -141.000 flat angles C4'-P-C4' energy: -124.072 flat angles P-C4'-P energy: -80.110 tors. eta vs tors. theta energy: -93.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1295.160359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.160359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.160359 (E_RNA) where: Base-Base interactions energy: -745.697 where: short stacking energy: -393.864 Base-Backbone interact. energy: 5.157 local terms energy: -554.620424 where: bonds (distance) C4'-P energy: -135.177 bonds (distance) P-C4' energy: -140.403 flat angles C4'-P-C4' energy: -132.940 flat angles P-C4'-P energy: -77.366 tors. eta vs tors. theta energy: -68.735 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: 9 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -878.541069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.541069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.541069 (E_RNA) where: Base-Base interactions energy: -403.630 where: short stacking energy: -226.957 Base-Backbone interact. energy: -1.029 local terms energy: -473.881581 where: bonds (distance) C4'-P energy: -140.290 bonds (distance) P-C4' energy: -125.842 flat angles C4'-P-C4' energy: -119.764 flat angles P-C4'-P energy: -91.177 tors. eta vs tors. theta energy: 3.191 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: 7 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -659.559184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.559184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.559184 (E_RNA) where: Base-Base interactions energy: -265.087 where: short stacking energy: -168.662 Base-Backbone interact. energy: 3.528 local terms energy: -398.000871 where: bonds (distance) C4'-P energy: -142.030 bonds (distance) P-C4' energy: -126.382 flat angles C4'-P-C4' energy: -105.601 flat angles P-C4'-P energy: -56.702 tors. eta vs tors. theta energy: 32.714 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: 207 Temperature: 0.900000 Total energy: -2662.045261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.045261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.045261 (E_RNA) where: Base-Base interactions energy: -1851.318 where: short stacking energy: -744.504 Base-Backbone interact. energy: -7.097 local terms energy: -803.629638 where: bonds (distance) C4'-P energy: -156.244 bonds (distance) P-C4' energy: -146.690 flat angles C4'-P-C4' energy: -181.594 flat angles P-C4'-P energy: -106.369 tors. eta vs tors. theta energy: -212.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2587.371061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.371061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.371061 (E_RNA) where: Base-Base interactions energy: -1768.837 where: short stacking energy: -756.495 Base-Backbone interact. energy: -1.117 local terms energy: -817.416500 where: bonds (distance) C4'-P energy: -160.267 bonds (distance) P-C4' energy: -150.015 flat angles C4'-P-C4' energy: -188.543 flat angles P-C4'-P energy: -121.303 tors. eta vs tors. theta energy: -197.288 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: 2 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2479.695983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.695983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.695983 (E_RNA) where: Base-Base interactions energy: -1714.472 where: short stacking energy: -730.529 Base-Backbone interact. energy: -3.266 local terms energy: -761.957874 where: bonds (distance) C4'-P energy: -150.865 bonds (distance) P-C4' energy: -141.662 flat angles C4'-P-C4' energy: -159.237 flat angles P-C4'-P energy: -99.209 tors. eta vs tors. theta energy: -210.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -2308.983886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.983886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.983886 (E_RNA) where: Base-Base interactions energy: -1559.001 where: short stacking energy: -716.368 Base-Backbone interact. energy: -3.725 local terms energy: -746.258350 where: bonds (distance) C4'-P energy: -124.104 bonds (distance) P-C4' energy: -149.873 flat angles C4'-P-C4' energy: -155.739 flat angles P-C4'-P energy: -113.338 tors. eta vs tors. theta energy: -203.206 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: 6 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -1976.302816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.302816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.302816 (E_RNA) where: Base-Base interactions energy: -1275.838 where: short stacking energy: -562.080 Base-Backbone interact. energy: -2.849 local terms energy: -697.615749 where: bonds (distance) C4'-P energy: -135.562 bonds (distance) P-C4' energy: -152.222 flat angles C4'-P-C4' energy: -151.898 flat angles P-C4'-P energy: -91.862 tors. eta vs tors. theta energy: -166.072 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: 5 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1833.024599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.024599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.024599 (E_RNA) where: Base-Base interactions energy: -1197.677 where: short stacking energy: -560.543 Base-Backbone interact. energy: -0.377 local terms energy: -634.970626 where: bonds (distance) C4'-P energy: -134.388 bonds (distance) P-C4' energy: -143.694 flat angles C4'-P-C4' energy: -131.683 flat angles P-C4'-P energy: -92.588 tors. eta vs tors. theta energy: -132.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1586.355109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.355109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.355109 (E_RNA) where: Base-Base interactions energy: -1016.869 where: short stacking energy: -463.965 Base-Backbone interact. energy: -0.705 local terms energy: -568.780548 where: bonds (distance) C4'-P energy: -123.800 bonds (distance) P-C4' energy: -145.017 flat angles C4'-P-C4' energy: -125.911 flat angles P-C4'-P energy: -85.515 tors. eta vs tors. theta energy: -88.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1435.030721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.030721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.030721 (E_RNA) where: Base-Base interactions energy: -884.406 where: short stacking energy: -411.906 Base-Backbone interact. energy: -0.207 local terms energy: -550.417187 where: bonds (distance) C4'-P energy: -117.476 bonds (distance) P-C4' energy: -136.180 flat angles C4'-P-C4' energy: -137.936 flat angles P-C4'-P energy: -92.173 tors. eta vs tors. theta energy: -66.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -1014.175667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.175667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.175667 (E_RNA) where: Base-Base interactions energy: -540.570 where: short stacking energy: -312.122 Base-Backbone interact. energy: 3.688 local terms energy: -477.293916 where: bonds (distance) C4'-P energy: -115.425 bonds (distance) P-C4' energy: -136.608 flat angles C4'-P-C4' energy: -120.622 flat angles P-C4'-P energy: -77.927 tors. eta vs tors. theta energy: -26.711 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: 7 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -690.204186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.204186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.204186 (E_RNA) where: Base-Base interactions energy: -270.236 where: short stacking energy: -185.417 Base-Backbone interact. energy: 2.714 local terms energy: -422.681390 where: bonds (distance) C4'-P energy: -138.861 bonds (distance) P-C4' energy: -125.823 flat angles C4'-P-C4' energy: -119.061 flat angles P-C4'-P energy: -67.949 tors. eta vs tors. theta energy: 29.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -2704.499514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.499514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.499514 (E_RNA) where: Base-Base interactions energy: -1856.219 where: short stacking energy: -761.139 Base-Backbone interact. energy: -5.253 local terms energy: -843.027577 where: bonds (distance) C4'-P energy: -162.858 bonds (distance) P-C4' energy: -169.888 flat angles C4'-P-C4' energy: -184.913 flat angles P-C4'-P energy: -110.530 tors. eta vs tors. theta energy: -214.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2610.652492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.652492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.652492 (E_RNA) where: Base-Base interactions energy: -1784.485 where: short stacking energy: -757.021 Base-Backbone interact. energy: -2.074 local terms energy: -824.093554 where: bonds (distance) C4'-P energy: -163.983 bonds (distance) P-C4' energy: -161.610 flat angles C4'-P-C4' energy: -187.045 flat angles P-C4'-P energy: -108.229 tors. eta vs tors. theta energy: -203.226 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: 2 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -2522.959721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.959721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.959721 (E_RNA) where: Base-Base interactions energy: -1735.504 where: short stacking energy: -725.336 Base-Backbone interact. energy: -1.882 local terms energy: -785.573153 where: bonds (distance) C4'-P energy: -148.715 bonds (distance) P-C4' energy: -154.053 flat angles C4'-P-C4' energy: -173.399 flat angles P-C4'-P energy: -102.550 tors. eta vs tors. theta energy: -206.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -2357.967240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.967240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.967240 (E_RNA) where: Base-Base interactions energy: -1566.246 where: short stacking energy: -695.030 Base-Backbone interact. energy: -0.911 local terms energy: -790.810497 where: bonds (distance) C4'-P energy: -161.032 bonds (distance) P-C4' energy: -154.613 flat angles C4'-P-C4' energy: -166.198 flat angles P-C4'-P energy: -111.845 tors. eta vs tors. theta energy: -197.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -1987.288413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.288413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.288413 (E_RNA) where: Base-Base interactions energy: -1275.230 where: short stacking energy: -572.543 Base-Backbone interact. energy: -0.570 local terms energy: -711.488157 where: bonds (distance) C4'-P energy: -125.598 bonds (distance) P-C4' energy: -145.843 flat angles C4'-P-C4' energy: -163.317 flat angles P-C4'-P energy: -107.795 tors. eta vs tors. theta energy: -168.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1864.226280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.226280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.226280 (E_RNA) where: Base-Base interactions energy: -1207.824 where: short stacking energy: -561.679 Base-Backbone interact. energy: 1.490 local terms energy: -657.892005 where: bonds (distance) C4'-P energy: -147.163 bonds (distance) P-C4' energy: -132.917 flat angles C4'-P-C4' energy: -149.127 flat angles P-C4'-P energy: -89.602 tors. eta vs tors. theta energy: -139.083 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: 10 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1556.591919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.591919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.591919 (E_RNA) where: Base-Base interactions energy: -958.262 where: short stacking energy: -452.430 Base-Backbone interact. energy: -1.080 local terms energy: -597.249931 where: bonds (distance) C4'-P energy: -125.036 bonds (distance) P-C4' energy: -146.873 flat angles C4'-P-C4' energy: -152.950 flat angles P-C4'-P energy: -78.498 tors. eta vs tors. theta energy: -93.893 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: 3 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1408.808118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.808118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.808118 (E_RNA) where: Base-Base interactions energy: -858.342 where: short stacking energy: -380.643 Base-Backbone interact. energy: 11.157 local terms energy: -561.622637 where: bonds (distance) C4'-P energy: -149.381 bonds (distance) P-C4' energy: -133.707 flat angles C4'-P-C4' energy: -130.391 flat angles P-C4'-P energy: -72.850 tors. eta vs tors. theta energy: -75.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -947.752911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.752911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.752911 (E_RNA) where: Base-Base interactions energy: -535.787 where: short stacking energy: -287.831 Base-Backbone interact. energy: -1.359 local terms energy: -410.606870 where: bonds (distance) C4'-P energy: -120.870 bonds (distance) P-C4' energy: -123.018 flat angles C4'-P-C4' energy: -91.769 flat angles P-C4'-P energy: -51.213 tors. eta vs tors. theta energy: -23.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -692.071176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.071176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.071176 (E_RNA) where: Base-Base interactions energy: -295.185 where: short stacking energy: -189.665 Base-Backbone interact. energy: -2.309 local terms energy: -394.577178 where: bonds (distance) C4'-P energy: -134.175 bonds (distance) P-C4' energy: -116.086 flat angles C4'-P-C4' energy: -120.310 flat angles P-C4'-P energy: -38.727 tors. eta vs tors. theta energy: 14.720 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: 8 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -2674.028067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.028067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.028067 (E_RNA) where: Base-Base interactions energy: -1847.830 where: short stacking energy: -739.350 Base-Backbone interact. energy: 1.164 local terms energy: -827.362189 where: bonds (distance) C4'-P energy: -163.145 bonds (distance) P-C4' energy: -162.077 flat angles C4'-P-C4' energy: -173.967 flat angles P-C4'-P energy: -118.501 tors. eta vs tors. theta energy: -209.672 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: 2, replica: 2 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2603.878828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.878828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.878828 (E_RNA) where: Base-Base interactions energy: -1798.453 where: short stacking energy: -772.307 Base-Backbone interact. energy: 1.937 local terms energy: -807.362914 where: bonds (distance) C4'-P energy: -147.187 bonds (distance) P-C4' energy: -139.290 flat angles C4'-P-C4' energy: -187.390 flat angles P-C4'-P energy: -120.009 tors. eta vs tors. theta energy: -213.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2481.193636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.193636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.193636 (E_RNA) where: Base-Base interactions energy: -1713.056 where: short stacking energy: -687.085 Base-Backbone interact. energy: -0.918 local terms energy: -767.220251 where: bonds (distance) C4'-P energy: -150.364 bonds (distance) P-C4' energy: -154.154 flat angles C4'-P-C4' energy: -171.749 flat angles P-C4'-P energy: -98.427 tors. eta vs tors. theta energy: -192.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -2390.964652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.964652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.964652 (E_RNA) where: Base-Base interactions energy: -1615.939 where: short stacking energy: -689.820 Base-Backbone interact. energy: -0.966 local terms energy: -774.058909 where: bonds (distance) C4'-P energy: -157.175 bonds (distance) P-C4' energy: -148.860 flat angles C4'-P-C4' energy: -165.356 flat angles P-C4'-P energy: -112.096 tors. eta vs tors. theta energy: -190.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -2054.494074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.494074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.494074 (E_RNA) where: Base-Base interactions energy: -1367.086 where: short stacking energy: -590.393 Base-Backbone interact. energy: -0.963 local terms energy: -686.445239 where: bonds (distance) C4'-P energy: -135.995 bonds (distance) P-C4' energy: -147.683 flat angles C4'-P-C4' energy: -161.878 flat angles P-C4'-P energy: -77.860 tors. eta vs tors. theta energy: -163.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1850.836402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.836402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.836402 (E_RNA) where: Base-Base interactions energy: -1172.285 where: short stacking energy: -541.629 Base-Backbone interact. energy: -1.490 local terms energy: -677.061373 where: bonds (distance) C4'-P energy: -139.573 bonds (distance) P-C4' energy: -159.349 flat angles C4'-P-C4' energy: -143.528 flat angles P-C4'-P energy: -101.158 tors. eta vs tors. theta energy: -133.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1575.540229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.540229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.540229 (E_RNA) where: Base-Base interactions energy: -993.851 where: short stacking energy: -448.867 Base-Backbone interact. energy: 1.470 local terms energy: -583.158925 where: bonds (distance) C4'-P energy: -125.574 bonds (distance) P-C4' energy: -139.267 flat angles C4'-P-C4' energy: -132.726 flat angles P-C4'-P energy: -94.764 tors. eta vs tors. theta energy: -90.829 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: 8, replica: 3 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1301.968903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.968903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.968903 (E_RNA) where: Base-Base interactions energy: -761.752 where: short stacking energy: -367.418 Base-Backbone interact. energy: -5.587 local terms energy: -534.629811 where: bonds (distance) C4'-P energy: -138.262 bonds (distance) P-C4' energy: -131.854 flat angles C4'-P-C4' energy: -126.427 flat angles P-C4'-P energy: -82.418 tors. eta vs tors. theta energy: -55.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -909.195395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.195395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.195395 (E_RNA) where: Base-Base interactions energy: -458.703 where: short stacking energy: -257.037 Base-Backbone interact. energy: 4.229 local terms energy: -454.721730 where: bonds (distance) C4'-P energy: -131.031 bonds (distance) P-C4' energy: -142.253 flat angles C4'-P-C4' energy: -106.879 flat angles P-C4'-P energy: -66.724 tors. eta vs tors. theta energy: -7.835 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: 7 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -659.866458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.866458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.866458 (E_RNA) where: Base-Base interactions energy: -295.370 where: short stacking energy: -193.385 Base-Backbone interact. energy: 5.536 local terms energy: -370.033054 where: bonds (distance) C4'-P energy: -103.294 bonds (distance) P-C4' energy: -135.342 flat angles C4'-P-C4' energy: -118.045 flat angles P-C4'-P energy: -56.828 tors. eta vs tors. theta energy: 43.476 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: 1, replica: 8 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -2673.249458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.249458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.249458 (E_RNA) where: Base-Base interactions energy: -1830.304 where: short stacking energy: -771.383 Base-Backbone interact. energy: -4.671 local terms energy: -838.274401 where: bonds (distance) C4'-P energy: -161.543 bonds (distance) P-C4' energy: -160.778 flat angles C4'-P-C4' energy: -177.783 flat angles P-C4'-P energy: -119.399 tors. eta vs tors. theta energy: -218.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2601.198053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.198053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.198053 (E_RNA) where: Base-Base interactions energy: -1779.704 where: short stacking energy: -751.439 Base-Backbone interact. energy: -3.910 local terms energy: -817.583947 where: bonds (distance) C4'-P energy: -156.979 bonds (distance) P-C4' energy: -172.393 flat angles C4'-P-C4' energy: -167.568 flat angles P-C4'-P energy: -103.824 tors. eta vs tors. theta energy: -216.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -2532.862744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.862744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.862744 (E_RNA) where: Base-Base interactions energy: -1760.182 where: short stacking energy: -752.870 Base-Backbone interact. energy: -0.533 local terms energy: -772.147160 where: bonds (distance) C4'-P energy: -164.940 bonds (distance) P-C4' energy: -144.220 flat angles C4'-P-C4' energy: -163.411 flat angles P-C4'-P energy: -101.397 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: 4, replica: 4 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -2324.796206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.796206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.796206 (E_RNA) where: Base-Base interactions energy: -1584.345 where: short stacking energy: -680.644 Base-Backbone interact. energy: -0.976 local terms energy: -739.475463 where: bonds (distance) C4'-P energy: -145.007 bonds (distance) P-C4' energy: -134.213 flat angles C4'-P-C4' energy: -165.188 flat angles P-C4'-P energy: -110.044 tors. eta vs tors. theta energy: -185.024 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: 6 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -1991.181305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.181305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.181305 (E_RNA) where: Base-Base interactions energy: -1287.353 where: short stacking energy: -596.025 Base-Backbone interact. energy: -4.618 local terms energy: -699.210429 where: bonds (distance) C4'-P energy: -136.592 bonds (distance) P-C4' energy: -149.544 flat angles C4'-P-C4' energy: -166.214 flat angles P-C4'-P energy: -80.413 tors. eta vs tors. theta energy: -166.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1773.239526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.239526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.239526 (E_RNA) where: Base-Base interactions energy: -1075.187 where: short stacking energy: -500.420 Base-Backbone interact. energy: -3.378 local terms energy: -694.674610 where: bonds (distance) C4'-P energy: -153.765 bonds (distance) P-C4' energy: -173.108 flat angles C4'-P-C4' energy: -144.395 flat angles P-C4'-P energy: -101.998 tors. eta vs tors. theta energy: -121.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1548.116236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.116236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.116236 (E_RNA) where: Base-Base interactions energy: -946.030 where: short stacking energy: -433.985 Base-Backbone interact. energy: 1.236 local terms energy: -603.322374 where: bonds (distance) C4'-P energy: -131.208 bonds (distance) P-C4' energy: -155.065 flat angles C4'-P-C4' energy: -137.662 flat angles P-C4'-P energy: -91.430 tors. eta vs tors. theta energy: -87.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1280.891845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.891845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.891845 (E_RNA) where: Base-Base interactions energy: -747.703 where: short stacking energy: -371.617 Base-Backbone interact. energy: 2.932 local terms energy: -536.120666 where: bonds (distance) C4'-P energy: -132.390 bonds (distance) P-C4' energy: -137.392 flat angles C4'-P-C4' energy: -135.233 flat angles P-C4'-P energy: -77.963 tors. eta vs tors. theta energy: -53.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -864.678355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.678355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.678355 (E_RNA) where: Base-Base interactions energy: -391.302 where: short stacking energy: -222.945 Base-Backbone interact. energy: 4.706 local terms energy: -478.082562 where: bonds (distance) C4'-P energy: -136.522 bonds (distance) P-C4' energy: -136.572 flat angles C4'-P-C4' energy: -148.843 flat angles P-C4'-P energy: -69.285 tors. eta vs tors. theta energy: 13.139 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: 10, replica: 7 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -783.395181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.395181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.395181 (E_RNA) where: Base-Base interactions energy: -369.560 where: short stacking energy: -221.781 Base-Backbone interact. energy: -0.371 local terms energy: -413.464333 where: bonds (distance) C4'-P energy: -130.888 bonds (distance) P-C4' energy: -124.086 flat angles C4'-P-C4' energy: -92.698 flat angles P-C4'-P energy: -69.636 tors. eta vs tors. theta energy: 3.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -2678.181252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.181252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.181252 (E_RNA) where: Base-Base interactions energy: -1845.123 where: short stacking energy: -765.805 Base-Backbone interact. energy: -6.654 local terms energy: -826.403995 where: bonds (distance) C4'-P energy: -154.561 bonds (distance) P-C4' energy: -155.742 flat angles C4'-P-C4' energy: -185.822 flat angles P-C4'-P energy: -121.266 tors. eta vs tors. theta energy: -209.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2616.613945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.613945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.613945 (E_RNA) where: Base-Base interactions energy: -1805.822 where: short stacking energy: -759.030 Base-Backbone interact. energy: -4.099 local terms energy: -806.692762 where: bonds (distance) C4'-P energy: -150.275 bonds (distance) P-C4' energy: -150.898 flat angles C4'-P-C4' energy: -184.121 flat angles P-C4'-P energy: -101.425 tors. eta vs tors. theta energy: -219.975 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: 1 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -2518.324954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.324954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.324954 (E_RNA) where: Base-Base interactions energy: -1696.887 where: short stacking energy: -725.537 Base-Backbone interact. energy: -2.157 local terms energy: -819.280689 where: bonds (distance) C4'-P energy: -171.547 bonds (distance) P-C4' energy: -168.654 flat angles C4'-P-C4' energy: -175.135 flat angles P-C4'-P energy: -100.507 tors. eta vs tors. theta energy: -203.437 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: 4 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -2330.375702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.375702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.375702 (E_RNA) where: Base-Base interactions energy: -1548.159 where: short stacking energy: -657.041 Base-Backbone interact. energy: 0.892 local terms energy: -783.108263 where: bonds (distance) C4'-P energy: -157.165 bonds (distance) P-C4' energy: -162.711 flat angles C4'-P-C4' energy: -171.063 flat angles P-C4'-P energy: -103.636 tors. eta vs tors. theta energy: -188.534 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: 5, replica: 6 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -2001.484911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.484911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.484911 (E_RNA) where: Base-Base interactions energy: -1265.473 where: short stacking energy: -563.277 Base-Backbone interact. energy: -2.515 local terms energy: -733.497770 where: bonds (distance) C4'-P energy: -168.324 bonds (distance) P-C4' energy: -151.475 flat angles C4'-P-C4' energy: -166.168 flat angles P-C4'-P energy: -89.278 tors. eta vs tors. theta energy: -158.253 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: 211 Temperature: 1.150000 Total energy: -1776.611087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.611087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.611087 (E_RNA) where: Base-Base interactions energy: -1099.310 where: short stacking energy: -501.935 Base-Backbone interact. energy: -3.834 local terms energy: -673.467496 where: bonds (distance) C4'-P energy: -139.248 bonds (distance) P-C4' energy: -156.722 flat angles C4'-P-C4' energy: -158.760 flat angles P-C4'-P energy: -101.459 tors. eta vs tors. theta energy: -117.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1563.632418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.632418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.632418 (E_RNA) where: Base-Base interactions energy: -946.316 where: short stacking energy: -446.445 Base-Backbone interact. energy: 3.888 local terms energy: -621.204708 where: bonds (distance) C4'-P energy: -129.659 bonds (distance) P-C4' energy: -149.774 flat angles C4'-P-C4' energy: -156.702 flat angles P-C4'-P energy: -84.305 tors. eta vs tors. theta energy: -100.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1199.665907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.665907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.665907 (E_RNA) where: Base-Base interactions energy: -703.788 where: short stacking energy: -331.544 Base-Backbone interact. energy: -1.594 local terms energy: -494.284315 where: bonds (distance) C4'-P energy: -122.365 bonds (distance) P-C4' energy: -134.046 flat angles C4'-P-C4' energy: -138.234 flat angles P-C4'-P energy: -74.651 tors. eta vs tors. theta energy: -24.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -885.542145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.542145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.542145 (E_RNA) where: Base-Base interactions energy: -431.163 where: short stacking energy: -263.592 Base-Backbone interact. energy: 0.360 local terms energy: -454.738532 where: bonds (distance) C4'-P energy: -113.542 bonds (distance) P-C4' energy: -140.904 flat angles C4'-P-C4' energy: -133.208 flat angles P-C4'-P energy: -60.264 tors. eta vs tors. theta energy: -6.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -809.019368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.019368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.019368 (E_RNA) where: Base-Base interactions energy: -400.540 where: short stacking energy: -228.104 Base-Backbone interact. energy: 4.572 local terms energy: -413.051388 where: bonds (distance) C4'-P energy: -126.484 bonds (distance) P-C4' energy: -116.469 flat angles C4'-P-C4' energy: -104.984 flat angles P-C4'-P energy: -66.737 tors. eta vs tors. theta energy: 1.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -2664.857812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.857812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.857812 (E_RNA) where: Base-Base interactions energy: -1827.452 where: short stacking energy: -743.680 Base-Backbone interact. energy: 0.789 local terms energy: -838.195145 where: bonds (distance) C4'-P energy: -165.138 bonds (distance) P-C4' energy: -159.143 flat angles C4'-P-C4' energy: -172.285 flat angles P-C4'-P energy: -119.107 tors. eta vs tors. theta energy: -222.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2589.366868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.366868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.366868 (E_RNA) where: Base-Base interactions energy: -1762.482 where: short stacking energy: -726.600 Base-Backbone interact. energy: -1.155 local terms energy: -825.730338 where: bonds (distance) C4'-P energy: -164.527 bonds (distance) P-C4' energy: -158.478 flat angles C4'-P-C4' energy: -180.874 flat angles P-C4'-P energy: -112.841 tors. eta vs tors. theta energy: -209.009 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: 3, replica: 1 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2494.918675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.918675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.918675 (E_RNA) where: Base-Base interactions energy: -1701.455 where: short stacking energy: -689.678 Base-Backbone interact. energy: -1.838 local terms energy: -791.625483 where: bonds (distance) C4'-P energy: -156.157 bonds (distance) P-C4' energy: -155.448 flat angles C4'-P-C4' energy: -163.215 flat angles P-C4'-P energy: -113.950 tors. eta vs tors. theta energy: -202.857 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: 4, replica: 4 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -2324.059720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.059720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.059720 (E_RNA) where: Base-Base interactions energy: -1522.616 where: short stacking energy: -645.464 Base-Backbone interact. energy: -6.665 local terms energy: -794.778353 where: bonds (distance) C4'-P energy: -161.598 bonds (distance) P-C4' energy: -172.486 flat angles C4'-P-C4' energy: -165.790 flat angles P-C4'-P energy: -105.476 tors. eta vs tors. theta energy: -189.427 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: 5, replica: 6 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -1931.171187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.171187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.171187 (E_RNA) where: Base-Base interactions energy: -1270.218 where: short stacking energy: -551.432 Base-Backbone interact. energy: 2.476 local terms energy: -663.429137 where: bonds (distance) C4'-P energy: -143.629 bonds (distance) P-C4' energy: -143.647 flat angles C4'-P-C4' energy: -150.014 flat angles P-C4'-P energy: -92.324 tors. eta vs tors. theta energy: -133.816 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: 6, replica: 5 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1910.420937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.420937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.420937 (E_RNA) where: Base-Base interactions energy: -1228.635 where: short stacking energy: -560.594 Base-Backbone interact. energy: -4.828 local terms energy: -676.957891 where: bonds (distance) C4'-P energy: -145.605 bonds (distance) P-C4' energy: -157.285 flat angles C4'-P-C4' energy: -142.385 flat angles P-C4'-P energy: -104.354 tors. eta vs tors. theta energy: -127.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1470.123116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.123116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.123116 (E_RNA) where: Base-Base interactions energy: -937.900 where: short stacking energy: -428.115 Base-Backbone interact. energy: 2.273 local terms energy: -534.496103 where: bonds (distance) C4'-P energy: -114.975 bonds (distance) P-C4' energy: -140.886 flat angles C4'-P-C4' energy: -115.802 flat angles P-C4'-P energy: -92.477 tors. eta vs tors. theta energy: -70.357 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: 8, replica: 3 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1210.177757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.177757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.177757 (E_RNA) where: Base-Base interactions energy: -716.717 where: short stacking energy: -341.623 Base-Backbone interact. energy: -4.177 local terms energy: -489.284247 where: bonds (distance) C4'-P energy: -130.691 bonds (distance) P-C4' energy: -130.156 flat angles C4'-P-C4' energy: -137.238 flat angles P-C4'-P energy: -61.785 tors. eta vs tors. theta energy: -29.414 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: 7 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -859.534789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.534789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.534789 (E_RNA) where: Base-Base interactions energy: -392.470 where: short stacking energy: -228.062 Base-Backbone interact. energy: -3.032 local terms energy: -464.032982 where: bonds (distance) C4'-P energy: -143.159 bonds (distance) P-C4' energy: -132.194 flat angles C4'-P-C4' energy: -108.781 flat angles P-C4'-P energy: -78.140 tors. eta vs tors. theta energy: -1.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -821.070193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.070193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.070193 (E_RNA) where: Base-Base interactions energy: -378.411 where: short stacking energy: -245.567 Base-Backbone interact. energy: 0.777 local terms energy: -443.436119 where: bonds (distance) C4'-P energy: -115.321 bonds (distance) P-C4' energy: -133.585 flat angles C4'-P-C4' energy: -121.976 flat angles P-C4'-P energy: -66.483 tors. eta vs tors. theta energy: -6.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -2663.728854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.728854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.728854 (E_RNA) where: Base-Base interactions energy: -1838.750 where: short stacking energy: -774.585 Base-Backbone interact. energy: -0.475 local terms energy: -824.504222 where: bonds (distance) C4'-P energy: -155.198 bonds (distance) P-C4' energy: -166.722 flat angles C4'-P-C4' energy: -169.890 flat angles P-C4'-P energy: -111.792 tors. eta vs tors. theta energy: -220.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2552.536000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.536000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.536000 (E_RNA) where: Base-Base interactions energy: -1754.899 where: short stacking energy: -722.724 Base-Backbone interact. energy: 0.430 local terms energy: -798.067552 where: bonds (distance) C4'-P energy: -156.929 bonds (distance) P-C4' energy: -151.784 flat angles C4'-P-C4' energy: -191.760 flat angles P-C4'-P energy: -105.155 tors. eta vs tors. theta energy: -192.440 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: 2 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -2500.913791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.913791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.913791 (E_RNA) where: Base-Base interactions energy: -1724.029 where: short stacking energy: -715.357 Base-Backbone interact. energy: 3.212 local terms energy: -780.096779 where: bonds (distance) C4'-P energy: -131.064 bonds (distance) P-C4' energy: -163.644 flat angles C4'-P-C4' energy: -174.957 flat angles P-C4'-P energy: -104.117 tors. eta vs tors. theta energy: -206.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -2317.280890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.280890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.280890 (E_RNA) where: Base-Base interactions energy: -1576.273 where: short stacking energy: -641.700 Base-Backbone interact. energy: -3.781 local terms energy: -737.227620 where: bonds (distance) C4'-P energy: -132.817 bonds (distance) P-C4' energy: -140.822 flat angles C4'-P-C4' energy: -167.835 flat angles P-C4'-P energy: -108.606 tors. eta vs tors. theta energy: -187.148 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: 6 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -1924.977356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.977356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.977356 (E_RNA) where: Base-Base interactions energy: -1239.246 where: short stacking energy: -561.603 Base-Backbone interact. energy: -0.799 local terms energy: -684.932769 where: bonds (distance) C4'-P energy: -154.526 bonds (distance) P-C4' energy: -139.460 flat angles C4'-P-C4' energy: -145.301 flat angles P-C4'-P energy: -107.315 tors. eta vs tors. theta energy: -138.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -1935.329607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.329607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.329607 (E_RNA) where: Base-Base interactions energy: -1257.766 where: short stacking energy: -589.097 Base-Backbone interact. energy: -1.192 local terms energy: -676.371518 where: bonds (distance) C4'-P energy: -156.062 bonds (distance) P-C4' energy: -134.471 flat angles C4'-P-C4' energy: -143.453 flat angles P-C4'-P energy: -98.489 tors. eta vs tors. theta energy: -143.897 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: 7, replica: 10 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1448.178157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.178157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.178157 (E_RNA) where: Base-Base interactions energy: -884.503 where: short stacking energy: -428.516 Base-Backbone interact. energy: -0.784 local terms energy: -562.890885 where: bonds (distance) C4'-P energy: -121.625 bonds (distance) P-C4' energy: -147.850 flat angles C4'-P-C4' energy: -129.460 flat angles P-C4'-P energy: -81.211 tors. eta vs tors. theta energy: -82.744 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: 213 Temperature: 1.250000 Total energy: -1228.511043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.511043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.511043 (E_RNA) where: Base-Base interactions energy: -707.537 where: short stacking energy: -337.547 Base-Backbone interact. energy: 1.937 local terms energy: -522.910494 where: bonds (distance) C4'-P energy: -134.386 bonds (distance) P-C4' energy: -150.947 flat angles C4'-P-C4' energy: -113.064 flat angles P-C4'-P energy: -97.487 tors. eta vs tors. theta energy: -27.027 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: 9, replica: 7 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -752.406786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.406786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.406786 (E_RNA) where: Base-Base interactions energy: -323.207 where: short stacking energy: -201.011 Base-Backbone interact. energy: -4.128 local terms energy: -425.072087 where: bonds (distance) C4'-P energy: -132.609 bonds (distance) P-C4' energy: -142.512 flat angles C4'-P-C4' energy: -102.561 flat angles P-C4'-P energy: -76.075 tors. eta vs tors. theta energy: 28.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -782.134965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.134965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.134965 (E_RNA) where: Base-Base interactions energy: -390.719 where: short stacking energy: -202.087 Base-Backbone interact. energy: 0.434 local terms energy: -391.850227 where: bonds (distance) C4'-P energy: -116.563 bonds (distance) P-C4' energy: -147.734 flat angles C4'-P-C4' energy: -87.577 flat angles P-C4'-P energy: -59.529 tors. eta vs tors. theta energy: 19.553 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: 1, replica: 8 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -2671.009343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.009343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.009343 (E_RNA) where: Base-Base interactions energy: -1821.655 where: short stacking energy: -758.297 Base-Backbone interact. energy: -10.288 local terms energy: -839.065966 where: bonds (distance) C4'-P energy: -153.775 bonds (distance) P-C4' energy: -160.221 flat angles C4'-P-C4' energy: -161.334 flat angles P-C4'-P energy: -125.724 tors. eta vs tors. theta energy: -238.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2626.260954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.260954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.260954 (E_RNA) where: Base-Base interactions energy: -1809.383 where: short stacking energy: -758.064 Base-Backbone interact. energy: -3.441 local terms energy: -813.436516 where: bonds (distance) C4'-P energy: -133.246 bonds (distance) P-C4' energy: -171.375 flat angles C4'-P-C4' energy: -176.469 flat angles P-C4'-P energy: -116.137 tors. eta vs tors. theta energy: -216.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2535.871531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.871531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.871531 (E_RNA) where: Base-Base interactions energy: -1738.041 where: short stacking energy: -722.497 Base-Backbone interact. energy: 0.119 local terms energy: -797.949707 where: bonds (distance) C4'-P energy: -155.112 bonds (distance) P-C4' energy: -141.939 flat angles C4'-P-C4' energy: -171.270 flat angles P-C4'-P energy: -123.587 tors. eta vs tors. theta energy: -206.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -2306.663518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.663518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.663518 (E_RNA) where: Base-Base interactions energy: -1582.637 where: short stacking energy: -703.488 Base-Backbone interact. energy: -5.957 local terms energy: -718.069170 where: bonds (distance) C4'-P energy: -125.977 bonds (distance) P-C4' energy: -135.353 flat angles C4'-P-C4' energy: -164.883 flat angles P-C4'-P energy: -94.730 tors. eta vs tors. theta energy: -197.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1879.199399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.199399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.199399 (E_RNA) where: Base-Base interactions energy: -1191.190 where: short stacking energy: -571.273 Base-Backbone interact. energy: -1.957 local terms energy: -686.052126 where: bonds (distance) C4'-P energy: -137.467 bonds (distance) P-C4' energy: -149.192 flat angles C4'-P-C4' energy: -155.586 flat angles P-C4'-P energy: -105.776 tors. eta vs tors. theta energy: -138.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -1902.850017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.850017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.850017 (E_RNA) where: Base-Base interactions energy: -1231.086 where: short stacking energy: -542.948 Base-Backbone interact. energy: -0.421 local terms energy: -671.343327 where: bonds (distance) C4'-P energy: -141.919 bonds (distance) P-C4' energy: -145.044 flat angles C4'-P-C4' energy: -160.036 flat angles P-C4'-P energy: -82.333 tors. eta vs tors. theta energy: -142.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1483.021630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.021630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.021630 (E_RNA) where: Base-Base interactions energy: -908.397 where: short stacking energy: -405.391 Base-Backbone interact. energy: -1.856 local terms energy: -572.768247 where: bonds (distance) C4'-P energy: -142.274 bonds (distance) P-C4' energy: -136.523 flat angles C4'-P-C4' energy: -120.937 flat angles P-C4'-P energy: -89.082 tors. eta vs tors. theta energy: -83.952 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: 8, replica: 3 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1372.594598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.594598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.594598 (E_RNA) where: Base-Base interactions energy: -827.030 where: short stacking energy: -413.842 Base-Backbone interact. energy: -2.596 local terms energy: -542.969189 where: bonds (distance) C4'-P energy: -141.249 bonds (distance) P-C4' energy: -132.105 flat angles C4'-P-C4' energy: -113.007 flat angles P-C4'-P energy: -80.607 tors. eta vs tors. theta energy: -76.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -828.274950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.274950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.274950 (E_RNA) where: Base-Base interactions energy: -356.775 where: short stacking energy: -207.292 Base-Backbone interact. energy: 1.649 local terms energy: -473.149305 where: bonds (distance) C4'-P energy: -117.845 bonds (distance) P-C4' energy: -157.292 flat angles C4'-P-C4' energy: -125.689 flat angles P-C4'-P energy: -71.622 tors. eta vs tors. theta energy: -0.701 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: 7 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -701.742250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.742250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.742250 (E_RNA) where: Base-Base interactions energy: -300.294 where: short stacking energy: -185.852 Base-Backbone interact. energy: -1.013 local terms energy: -400.435228 where: bonds (distance) C4'-P energy: -124.145 bonds (distance) P-C4' energy: -143.740 flat angles C4'-P-C4' energy: -90.892 flat angles P-C4'-P energy: -66.084 tors. eta vs tors. theta energy: 24.426 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: 1, replica: 8 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -2673.265209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.265209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.265209 (E_RNA) where: Base-Base interactions energy: -1825.689 where: short stacking energy: -762.388 Base-Backbone interact. energy: -5.063 local terms energy: -842.513361 where: bonds (distance) C4'-P energy: -167.592 bonds (distance) P-C4' energy: -162.054 flat angles C4'-P-C4' energy: -173.259 flat angles P-C4'-P energy: -119.728 tors. eta vs tors. theta energy: -219.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -2587.852874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.852874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.852874 (E_RNA) where: Base-Base interactions energy: -1773.063 where: short stacking energy: -734.392 Base-Backbone interact. energy: -2.756 local terms energy: -812.033994 where: bonds (distance) C4'-P energy: -159.517 bonds (distance) P-C4' energy: -159.832 flat angles C4'-P-C4' energy: -179.497 flat angles P-C4'-P energy: -101.351 tors. eta vs tors. theta energy: -211.837 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: 2 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -2565.361255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.361255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.361255 (E_RNA) where: Base-Base interactions energy: -1743.509 where: short stacking energy: -740.331 Base-Backbone interact. energy: -1.726 local terms energy: -820.126174 where: bonds (distance) C4'-P energy: -152.165 bonds (distance) P-C4' energy: -149.607 flat angles C4'-P-C4' energy: -174.700 flat angles P-C4'-P energy: -125.060 tors. eta vs tors. theta energy: -218.594 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: 4 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -2264.948367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.948367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.948367 (E_RNA) where: Base-Base interactions energy: -1521.307 where: short stacking energy: -664.706 Base-Backbone interact. energy: 2.056 local terms energy: -745.697255 where: bonds (distance) C4'-P energy: -142.199 bonds (distance) P-C4' energy: -154.085 flat angles C4'-P-C4' energy: -169.973 flat angles P-C4'-P energy: -107.466 tors. eta vs tors. theta energy: -171.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -1911.760940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.760940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.760940 (E_RNA) where: Base-Base interactions energy: -1219.217 where: short stacking energy: -545.106 Base-Backbone interact. energy: -0.804 local terms energy: -691.739585 where: bonds (distance) C4'-P energy: -141.486 bonds (distance) P-C4' energy: -160.090 flat angles C4'-P-C4' energy: -144.868 flat angles P-C4'-P energy: -105.531 tors. eta vs tors. theta energy: -139.766 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: 215 Temperature: 1.150000 Total energy: -1853.473958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.473958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.473958 (E_RNA) where: Base-Base interactions energy: -1202.419 where: short stacking energy: -549.275 Base-Backbone interact. energy: -4.046 local terms energy: -647.009330 where: bonds (distance) C4'-P energy: -141.579 bonds (distance) P-C4' energy: -141.280 flat angles C4'-P-C4' energy: -139.577 flat angles P-C4'-P energy: -100.797 tors. eta vs tors. theta energy: -123.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1554.213333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.213333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.213333 (E_RNA) where: Base-Base interactions energy: -941.817 where: short stacking energy: -417.826 Base-Backbone interact. energy: 0.794 local terms energy: -613.190291 where: bonds (distance) C4'-P energy: -137.343 bonds (distance) P-C4' energy: -146.345 flat angles C4'-P-C4' energy: -138.955 flat angles P-C4'-P energy: -99.201 tors. eta vs tors. theta energy: -91.346 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: 8, replica: 3 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1298.162775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.162775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.162775 (E_RNA) where: Base-Base interactions energy: -750.833 where: short stacking energy: -358.598 Base-Backbone interact. energy: 0.203 local terms energy: -547.532395 where: bonds (distance) C4'-P energy: -142.058 bonds (distance) P-C4' energy: -146.956 flat angles C4'-P-C4' energy: -128.004 flat angles P-C4'-P energy: -90.241 tors. eta vs tors. theta energy: -40.272 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: 9, replica: 9 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -860.507574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.507574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.507574 (E_RNA) where: Base-Base interactions energy: -401.212 where: short stacking energy: -223.073 Base-Backbone interact. energy: -3.238 local terms energy: -456.057385 where: bonds (distance) C4'-P energy: -122.657 bonds (distance) P-C4' energy: -145.024 flat angles C4'-P-C4' energy: -121.385 flat angles P-C4'-P energy: -75.572 tors. eta vs tors. theta energy: 8.581 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: 7 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -725.244089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.244089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.244089 (E_RNA) where: Base-Base interactions energy: -289.238 where: short stacking energy: -191.401 Base-Backbone interact. energy: 0.732 local terms energy: -436.737926 where: bonds (distance) C4'-P energy: -122.860 bonds (distance) P-C4' energy: -136.758 flat angles C4'-P-C4' energy: -114.134 flat angles P-C4'-P energy: -73.303 tors. eta vs tors. theta energy: 10.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -2705.437085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.437085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.437085 (E_RNA) where: Base-Base interactions energy: -1879.707 where: short stacking energy: -792.434 Base-Backbone interact. energy: -3.600 local terms energy: -822.129490 where: bonds (distance) C4'-P energy: -156.950 bonds (distance) P-C4' energy: -156.306 flat angles C4'-P-C4' energy: -173.372 flat angles P-C4'-P energy: -119.476 tors. eta vs tors. theta energy: -216.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2590.043174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.043174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.043174 (E_RNA) where: Base-Base interactions energy: -1807.049 where: short stacking energy: -762.213 Base-Backbone interact. energy: -2.712 local terms energy: -780.281994 where: bonds (distance) C4'-P energy: -154.532 bonds (distance) P-C4' energy: -131.585 flat angles C4'-P-C4' energy: -174.608 flat angles P-C4'-P energy: -116.162 tors. eta vs tors. theta energy: -203.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -2497.060439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.060439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.060439 (E_RNA) where: Base-Base interactions energy: -1693.722 where: short stacking energy: -723.973 Base-Backbone interact. energy: -4.714 local terms energy: -798.623693 where: bonds (distance) C4'-P energy: -154.517 bonds (distance) P-C4' energy: -151.309 flat angles C4'-P-C4' energy: -187.607 flat angles P-C4'-P energy: -98.879 tors. eta vs tors. theta energy: -206.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -2254.650615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.650615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.650615 (E_RNA) where: Base-Base interactions energy: -1538.300 where: short stacking energy: -669.184 Base-Backbone interact. energy: -3.154 local terms energy: -713.196552 where: bonds (distance) C4'-P energy: -135.337 bonds (distance) P-C4' energy: -156.888 flat angles C4'-P-C4' energy: -161.820 flat angles P-C4'-P energy: -86.324 tors. eta vs tors. theta energy: -172.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -1953.899433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.899433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.899433 (E_RNA) where: Base-Base interactions energy: -1251.772 where: short stacking energy: -562.946 Base-Backbone interact. energy: 3.377 local terms energy: -705.504910 where: bonds (distance) C4'-P energy: -141.027 bonds (distance) P-C4' energy: -147.817 flat angles C4'-P-C4' energy: -167.138 flat angles P-C4'-P energy: -105.128 tors. eta vs tors. theta energy: -144.394 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: 6, replica: 5 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -1816.369223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.369223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.369223 (E_RNA) where: Base-Base interactions energy: -1164.918 where: short stacking energy: -539.345 Base-Backbone interact. energy: -5.213 local terms energy: -646.238988 where: bonds (distance) C4'-P energy: -135.249 bonds (distance) P-C4' energy: -150.898 flat angles C4'-P-C4' energy: -142.479 flat angles P-C4'-P energy: -96.161 tors. eta vs tors. theta energy: -121.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1504.496023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.496023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.496023 (E_RNA) where: Base-Base interactions energy: -915.441 where: short stacking energy: -413.905 Base-Backbone interact. energy: 0.759 local terms energy: -589.814010 where: bonds (distance) C4'-P energy: -144.874 bonds (distance) P-C4' energy: -137.982 flat angles C4'-P-C4' energy: -143.342 flat angles P-C4'-P energy: -86.826 tors. eta vs tors. theta energy: -76.789 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: 8, replica: 3 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1263.887016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.887016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.887016 (E_RNA) where: Base-Base interactions energy: -761.230 where: short stacking energy: -357.451 Base-Backbone interact. energy: 0.918 local terms energy: -503.574422 where: bonds (distance) C4'-P energy: -127.299 bonds (distance) P-C4' energy: -132.866 flat angles C4'-P-C4' energy: -128.718 flat angles P-C4'-P energy: -76.012 tors. eta vs tors. theta energy: -38.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -900.242927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.242927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.242927 (E_RNA) where: Base-Base interactions energy: -450.342 where: short stacking energy: -243.446 Base-Backbone interact. energy: -2.193 local terms energy: -447.707977 where: bonds (distance) C4'-P energy: -138.340 bonds (distance) P-C4' energy: -144.414 flat angles C4'-P-C4' energy: -110.692 flat angles P-C4'-P energy: -59.853 tors. eta vs tors. theta energy: 5.591 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: 10, replica: 7 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -670.372462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.372462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.372462 (E_RNA) where: Base-Base interactions energy: -279.644 where: short stacking energy: -211.939 Base-Backbone interact. energy: 4.553 local terms energy: -395.280885 where: bonds (distance) C4'-P energy: -125.771 bonds (distance) P-C4' energy: -131.643 flat angles C4'-P-C4' energy: -115.943 flat angles P-C4'-P energy: -54.641 tors. eta vs tors. theta energy: 32.717 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: 217 Temperature: 0.900000 Total energy: -2712.059088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.059088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.059088 (E_RNA) where: Base-Base interactions energy: -1870.207 where: short stacking energy: -770.142 Base-Backbone interact. energy: -4.453 local terms energy: -837.399390 where: bonds (distance) C4'-P energy: -163.174 bonds (distance) P-C4' energy: -166.226 flat angles C4'-P-C4' energy: -163.299 flat angles P-C4'-P energy: -132.232 tors. eta vs tors. theta energy: -212.468 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: 2 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2597.052915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.052915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.052915 (E_RNA) where: Base-Base interactions energy: -1765.067 where: short stacking energy: -776.430 Base-Backbone interact. energy: -6.989 local terms energy: -824.996906 where: bonds (distance) C4'-P energy: -150.819 bonds (distance) P-C4' energy: -163.667 flat angles C4'-P-C4' energy: -171.566 flat angles P-C4'-P energy: -119.200 tors. eta vs tors. theta energy: -219.745 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: 3, replica: 1 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -2490.137872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.137872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.137872 (E_RNA) where: Base-Base interactions energy: -1740.969 where: short stacking energy: -726.167 Base-Backbone interact. energy: 0.881 local terms energy: -750.049381 where: bonds (distance) C4'-P energy: -124.961 bonds (distance) P-C4' energy: -152.564 flat angles C4'-P-C4' energy: -162.092 flat angles P-C4'-P energy: -98.786 tors. eta vs tors. theta energy: -211.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -2268.354475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.354475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.354475 (E_RNA) where: Base-Base interactions energy: -1522.106 where: short stacking energy: -647.349 Base-Backbone interact. energy: 3.282 local terms energy: -749.530400 where: bonds (distance) C4'-P energy: -133.539 bonds (distance) P-C4' energy: -161.071 flat angles C4'-P-C4' energy: -160.707 flat angles P-C4'-P energy: -110.415 tors. eta vs tors. theta energy: -183.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -2039.681759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.681759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.681759 (E_RNA) where: Base-Base interactions energy: -1316.532 where: short stacking energy: -589.347 Base-Backbone interact. energy: -0.401 local terms energy: -722.748954 where: bonds (distance) C4'-P energy: -139.307 bonds (distance) P-C4' energy: -157.623 flat angles C4'-P-C4' energy: -154.877 flat angles P-C4'-P energy: -99.842 tors. eta vs tors. theta energy: -171.101 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: 6, replica: 5 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1862.516331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.516331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.516331 (E_RNA) where: Base-Base interactions energy: -1195.388 where: short stacking energy: -535.504 Base-Backbone interact. energy: -1.241 local terms energy: -665.887808 where: bonds (distance) C4'-P energy: -134.900 bonds (distance) P-C4' energy: -126.198 flat angles C4'-P-C4' energy: -153.433 flat angles P-C4'-P energy: -116.704 tors. eta vs tors. theta energy: -134.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1539.511093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.511093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.511093 (E_RNA) where: Base-Base interactions energy: -973.855 where: short stacking energy: -430.918 Base-Backbone interact. energy: 5.827 local terms energy: -571.483231 where: bonds (distance) C4'-P energy: -123.927 bonds (distance) P-C4' energy: -141.897 flat angles C4'-P-C4' energy: -141.506 flat angles P-C4'-P energy: -59.124 tors. eta vs tors. theta energy: -105.030 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: 3 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1294.147008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.147008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.147008 (E_RNA) where: Base-Base interactions energy: -750.847 where: short stacking energy: -359.130 Base-Backbone interact. energy: 3.897 local terms energy: -547.196513 where: bonds (distance) C4'-P energy: -130.945 bonds (distance) P-C4' energy: -152.379 flat angles C4'-P-C4' energy: -134.119 flat angles P-C4'-P energy: -79.082 tors. eta vs tors. theta energy: -50.671 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: 9, replica: 9 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -887.422309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.422309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.422309 (E_RNA) where: Base-Base interactions energy: -393.396 where: short stacking energy: -251.007 Base-Backbone interact. energy: 0.611 local terms energy: -494.638191 where: bonds (distance) C4'-P energy: -136.371 bonds (distance) P-C4' energy: -139.429 flat angles C4'-P-C4' energy: -140.556 flat angles P-C4'-P energy: -71.262 tors. eta vs tors. theta energy: -7.020 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: 7 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -713.968897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.968897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.968897 (E_RNA) where: Base-Base interactions energy: -274.266 where: short stacking energy: -162.733 Base-Backbone interact. energy: 4.047 local terms energy: -443.749333 where: bonds (distance) C4'-P energy: -144.247 bonds (distance) P-C4' energy: -145.368 flat angles C4'-P-C4' energy: -115.432 flat angles P-C4'-P energy: -81.015 tors. eta vs tors. theta energy: 42.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -2718.297737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.297737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.297737 (E_RNA) where: Base-Base interactions energy: -1855.807 where: short stacking energy: -769.312 Base-Backbone interact. energy: -10.053 local terms energy: -852.437787 where: bonds (distance) C4'-P energy: -172.489 bonds (distance) P-C4' energy: -162.384 flat angles C4'-P-C4' energy: -180.671 flat angles P-C4'-P energy: -113.085 tors. eta vs tors. theta energy: -223.808 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: 2 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2559.172760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.172760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.172760 (E_RNA) where: Base-Base interactions energy: -1722.944 where: short stacking energy: -731.275 Base-Backbone interact. energy: -1.267 local terms energy: -834.961838 where: bonds (distance) C4'-P energy: -152.941 bonds (distance) P-C4' energy: -177.289 flat angles C4'-P-C4' energy: -173.530 flat angles P-C4'-P energy: -121.747 tors. eta vs tors. theta energy: -209.455 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: 3, replica: 1 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -2531.586018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.586018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.586018 (E_RNA) where: Base-Base interactions energy: -1750.645 where: short stacking energy: -721.273 Base-Backbone interact. energy: -2.994 local terms energy: -777.947277 where: bonds (distance) C4'-P energy: -148.988 bonds (distance) P-C4' energy: -136.994 flat angles C4'-P-C4' energy: -176.869 flat angles P-C4'-P energy: -102.432 tors. eta vs tors. theta energy: -212.664 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: 218 Temperature: 1.050000 Total energy: -2288.141142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.141142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.141142 (E_RNA) where: Base-Base interactions energy: -1546.092 where: short stacking energy: -678.135 Base-Backbone interact. energy: 2.678 local terms energy: -744.727787 where: bonds (distance) C4'-P energy: -140.161 bonds (distance) P-C4' energy: -147.166 flat angles C4'-P-C4' energy: -159.035 flat angles P-C4'-P energy: -117.428 tors. eta vs tors. theta energy: -180.938 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: 6 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1966.261147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.261147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.261147 (E_RNA) where: Base-Base interactions energy: -1258.380 where: short stacking energy: -559.061 Base-Backbone interact. energy: -0.384 local terms energy: -707.496696 where: bonds (distance) C4'-P energy: -144.521 bonds (distance) P-C4' energy: -156.169 flat angles C4'-P-C4' energy: -155.582 flat angles P-C4'-P energy: -100.987 tors. eta vs tors. theta energy: -150.238 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: 218 Temperature: 1.150000 Total energy: -1815.396934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.396934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.396934 (E_RNA) where: Base-Base interactions energy: -1166.923 where: short stacking energy: -536.733 Base-Backbone interact. energy: -3.843 local terms energy: -644.631316 where: bonds (distance) C4'-P energy: -121.393 bonds (distance) P-C4' energy: -137.896 flat angles C4'-P-C4' energy: -167.316 flat angles P-C4'-P energy: -92.382 tors. eta vs tors. theta energy: -125.644 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: 10 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1524.252242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.252242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.252242 (E_RNA) where: Base-Base interactions energy: -973.298 where: short stacking energy: -413.234 Base-Backbone interact. energy: 1.647 local terms energy: -552.601344 where: bonds (distance) C4'-P energy: -125.984 bonds (distance) P-C4' energy: -114.954 flat angles C4'-P-C4' energy: -153.929 flat angles P-C4'-P energy: -85.945 tors. eta vs tors. theta energy: -71.789 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: 8, replica: 3 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1279.599645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.599645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.599645 (E_RNA) where: Base-Base interactions energy: -727.895 where: short stacking energy: -360.148 Base-Backbone interact. energy: 0.987 local terms energy: -552.691710 where: bonds (distance) C4'-P energy: -139.940 bonds (distance) P-C4' energy: -140.545 flat angles C4'-P-C4' energy: -127.318 flat angles P-C4'-P energy: -86.523 tors. eta vs tors. theta energy: -58.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -886.732883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.732883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.732883 (E_RNA) where: Base-Base interactions energy: -426.115 where: short stacking energy: -246.314 Base-Backbone interact. energy: -0.220 local terms energy: -460.397913 where: bonds (distance) C4'-P energy: -113.275 bonds (distance) P-C4' energy: -130.785 flat angles C4'-P-C4' energy: -132.647 flat angles P-C4'-P energy: -58.583 tors. eta vs tors. theta energy: -25.109 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: 7 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -698.604434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.604434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.604434 (E_RNA) where: Base-Base interactions energy: -288.075 where: short stacking energy: -181.845 Base-Backbone interact. energy: 0.681 local terms energy: -411.210129 where: bonds (distance) C4'-P energy: -134.380 bonds (distance) P-C4' energy: -137.767 flat angles C4'-P-C4' energy: -93.985 flat angles P-C4'-P energy: -83.307 tors. eta vs tors. theta energy: 38.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -2691.744958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.744958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.744958 (E_RNA) where: Base-Base interactions energy: -1841.062 where: short stacking energy: -767.301 Base-Backbone interact. energy: -2.283 local terms energy: -848.399969 where: bonds (distance) C4'-P energy: -161.835 bonds (distance) P-C4' energy: -176.152 flat angles C4'-P-C4' energy: -177.080 flat angles P-C4'-P energy: -105.249 tors. eta vs tors. theta energy: -228.084 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: 1 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -2580.690033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.690033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.690033 (E_RNA) where: Base-Base interactions energy: -1769.831 where: short stacking energy: -747.016 Base-Backbone interact. energy: -3.734 local terms energy: -807.125576 where: bonds (distance) C4'-P energy: -154.342 bonds (distance) P-C4' energy: -151.160 flat angles C4'-P-C4' energy: -183.057 flat angles P-C4'-P energy: -112.853 tors. eta vs tors. theta energy: -205.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -2513.273601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.273601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.273601 (E_RNA) where: Base-Base interactions energy: -1717.781 where: short stacking energy: -742.015 Base-Backbone interact. energy: -5.692 local terms energy: -789.800330 where: bonds (distance) C4'-P energy: -156.672 bonds (distance) P-C4' energy: -144.839 flat angles C4'-P-C4' energy: -171.525 flat angles P-C4'-P energy: -102.225 tors. eta vs tors. theta energy: -214.540 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: 4 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -2286.200180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.200180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.200180 (E_RNA) where: Base-Base interactions energy: -1516.775 where: short stacking energy: -624.528 Base-Backbone interact. energy: -1.513 local terms energy: -767.911507 where: bonds (distance) C4'-P energy: -162.293 bonds (distance) P-C4' energy: -144.283 flat angles C4'-P-C4' energy: -165.864 flat angles P-C4'-P energy: -115.714 tors. eta vs tors. theta energy: -179.758 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: 5, replica: 6 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -1987.730783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.730783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.730783 (E_RNA) where: Base-Base interactions energy: -1307.651 where: short stacking energy: -578.176 Base-Backbone interact. energy: 0.918 local terms energy: -680.998329 where: bonds (distance) C4'-P energy: -142.516 bonds (distance) P-C4' energy: -140.602 flat angles C4'-P-C4' energy: -147.105 flat angles P-C4'-P energy: -95.691 tors. eta vs tors. theta energy: -155.084 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: 6, replica: 5 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1884.883289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.883289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.883289 (E_RNA) where: Base-Base interactions energy: -1226.546 where: short stacking energy: -544.840 Base-Backbone interact. energy: 1.850 local terms energy: -660.187083 where: bonds (distance) C4'-P energy: -132.754 bonds (distance) P-C4' energy: -146.313 flat angles C4'-P-C4' energy: -136.006 flat angles P-C4'-P energy: -107.103 tors. eta vs tors. theta energy: -138.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1435.672861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.672861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.672861 (E_RNA) where: Base-Base interactions energy: -884.436 where: short stacking energy: -441.351 Base-Backbone interact. energy: 7.718 local terms energy: -558.954783 where: bonds (distance) C4'-P energy: -132.926 bonds (distance) P-C4' energy: -120.461 flat angles C4'-P-C4' energy: -133.444 flat angles P-C4'-P energy: -82.746 tors. eta vs tors. theta energy: -89.377 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: 8, replica: 3 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1332.158436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.158436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.158436 (E_RNA) where: Base-Base interactions energy: -802.007 where: short stacking energy: -384.736 Base-Backbone interact. energy: 7.658 local terms energy: -537.808929 where: bonds (distance) C4'-P energy: -138.737 bonds (distance) P-C4' energy: -125.512 flat angles C4'-P-C4' energy: -133.258 flat angles P-C4'-P energy: -79.679 tors. eta vs tors. theta energy: -60.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -892.343365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.343365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.343365 (E_RNA) where: Base-Base interactions energy: -435.894 where: short stacking energy: -252.534 Base-Backbone interact. energy: 0.585 local terms energy: -457.034597 where: bonds (distance) C4'-P energy: -143.142 bonds (distance) P-C4' energy: -133.954 flat angles C4'-P-C4' energy: -118.842 flat angles P-C4'-P energy: -64.025 tors. eta vs tors. theta energy: 2.928 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: 10, replica: 7 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -725.973589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.973589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.973589 (E_RNA) where: Base-Base interactions energy: -315.844 where: short stacking energy: -197.330 Base-Backbone interact. energy: -0.145 local terms energy: -409.984118 where: bonds (distance) C4'-P energy: -142.076 bonds (distance) P-C4' energy: -145.592 flat angles C4'-P-C4' energy: -85.283 flat angles P-C4'-P energy: -40.604 tors. eta vs tors. theta energy: 3.571 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: 8 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -2711.010818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.010818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.010818 (E_RNA) where: Base-Base interactions energy: -1858.308 where: short stacking energy: -770.308 Base-Backbone interact. energy: 1.800 local terms energy: -854.502208 where: bonds (distance) C4'-P energy: -152.629 bonds (distance) P-C4' energy: -170.253 flat angles C4'-P-C4' energy: -187.247 flat angles P-C4'-P energy: -130.760 tors. eta vs tors. theta energy: -213.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2596.309147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.309147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.309147 (E_RNA) where: Base-Base interactions energy: -1802.565 where: short stacking energy: -738.781 Base-Backbone interact. energy: 0.258 local terms energy: -794.002417 where: bonds (distance) C4'-P energy: -157.523 bonds (distance) P-C4' energy: -157.246 flat angles C4'-P-C4' energy: -175.166 flat angles P-C4'-P energy: -105.419 tors. eta vs tors. theta energy: -198.648 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: 3, replica: 2 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -2525.760762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.760762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.760762 (E_RNA) where: Base-Base interactions energy: -1747.016 where: short stacking energy: -757.763 Base-Backbone interact. energy: -6.046 local terms energy: -772.699013 where: bonds (distance) C4'-P energy: -129.673 bonds (distance) P-C4' energy: -149.254 flat angles C4'-P-C4' energy: -170.731 flat angles P-C4'-P energy: -105.237 tors. eta vs tors. theta energy: -217.803 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: 4 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -2300.843245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.843245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.843245 (E_RNA) where: Base-Base interactions energy: -1552.794 where: short stacking energy: -629.572 Base-Backbone interact. energy: -3.982 local terms energy: -744.067362 where: bonds (distance) C4'-P energy: -136.209 bonds (distance) P-C4' energy: -158.967 flat angles C4'-P-C4' energy: -167.918 flat angles P-C4'-P energy: -107.554 tors. eta vs tors. theta energy: -173.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -2015.707662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.707662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.707662 (E_RNA) where: Base-Base interactions energy: -1296.116 where: short stacking energy: -602.773 Base-Backbone interact. energy: -0.387 local terms energy: -719.204640 where: bonds (distance) C4'-P energy: -127.256 bonds (distance) P-C4' energy: -161.518 flat angles C4'-P-C4' energy: -173.720 flat angles P-C4'-P energy: -105.670 tors. eta vs tors. theta energy: -151.042 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: 6, replica: 5 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -1888.991073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.991073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.991073 (E_RNA) where: Base-Base interactions energy: -1241.287 where: short stacking energy: -561.717 Base-Backbone interact. energy: -1.808 local terms energy: -645.895344 where: bonds (distance) C4'-P energy: -139.119 bonds (distance) P-C4' energy: -146.018 flat angles C4'-P-C4' energy: -139.677 flat angles P-C4'-P energy: -83.378 tors. eta vs tors. theta energy: -137.703 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: 7, replica: 3 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1465.142552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.142552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.142552 (E_RNA) where: Base-Base interactions energy: -911.555 where: short stacking energy: -442.579 Base-Backbone interact. energy: -1.926 local terms energy: -551.661048 where: bonds (distance) C4'-P energy: -124.838 bonds (distance) P-C4' energy: -134.416 flat angles C4'-P-C4' energy: -133.044 flat angles P-C4'-P energy: -82.752 tors. eta vs tors. theta energy: -76.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1352.108734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.108734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.108734 (E_RNA) where: Base-Base interactions energy: -808.576 where: short stacking energy: -392.925 Base-Backbone interact. energy: 0.646 local terms energy: -544.178919 where: bonds (distance) C4'-P energy: -118.856 bonds (distance) P-C4' energy: -152.337 flat angles C4'-P-C4' energy: -120.228 flat angles P-C4'-P energy: -81.967 tors. eta vs tors. theta energy: -70.790 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: 9 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -837.026078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.026078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.026078 (E_RNA) where: Base-Base interactions energy: -385.134 where: short stacking energy: -231.250 Base-Backbone interact. energy: -4.611 local terms energy: -447.280298 where: bonds (distance) C4'-P energy: -117.729 bonds (distance) P-C4' energy: -130.160 flat angles C4'-P-C4' energy: -120.298 flat angles P-C4'-P energy: -76.647 tors. eta vs tors. theta energy: -2.445 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: 7 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -732.078613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.078613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.078613 (E_RNA) where: Base-Base interactions energy: -311.996 where: short stacking energy: -220.540 Base-Backbone interact. energy: 0.821 local terms energy: -420.903729 where: bonds (distance) C4'-P energy: -135.892 bonds (distance) P-C4' energy: -129.978 flat angles C4'-P-C4' energy: -116.303 flat angles P-C4'-P energy: -55.528 tors. eta vs tors. theta energy: 16.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -2666.323554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.323554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.323554 (E_RNA) where: Base-Base interactions energy: -1830.577 where: short stacking energy: -747.989 Base-Backbone interact. energy: -6.307 local terms energy: -829.439331 where: bonds (distance) C4'-P energy: -154.843 bonds (distance) P-C4' energy: -155.574 flat angles C4'-P-C4' energy: -181.059 flat angles P-C4'-P energy: -124.104 tors. eta vs tors. theta energy: -213.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2561.262283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.262283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.262283 (E_RNA) where: Base-Base interactions energy: -1740.700 where: short stacking energy: -757.010 Base-Backbone interact. energy: -2.501 local terms energy: -818.061700 where: bonds (distance) C4'-P energy: -155.971 bonds (distance) P-C4' energy: -148.600 flat angles C4'-P-C4' energy: -183.428 flat angles P-C4'-P energy: -107.287 tors. eta vs tors. theta energy: -222.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -2533.620133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.620133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.620133 (E_RNA) where: Base-Base interactions energy: -1743.516 where: short stacking energy: -723.600 Base-Backbone interact. energy: 2.137 local terms energy: -792.241501 where: bonds (distance) C4'-P energy: -140.982 bonds (distance) P-C4' energy: -160.729 flat angles C4'-P-C4' energy: -181.242 flat angles P-C4'-P energy: -109.074 tors. eta vs tors. theta energy: -200.214 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: 4, replica: 4 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -2302.261799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.261799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.261799 (E_RNA) where: Base-Base interactions energy: -1558.466 where: short stacking energy: -647.898 Base-Backbone interact. energy: 0.782 local terms energy: -744.578160 where: bonds (distance) C4'-P energy: -141.824 bonds (distance) P-C4' energy: -149.337 flat angles C4'-P-C4' energy: -169.301 flat angles P-C4'-P energy: -107.770 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: 5, replica: 6 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -2045.404838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.404838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.404838 (E_RNA) where: Base-Base interactions energy: -1320.695 where: short stacking energy: -617.328 Base-Backbone interact. energy: -2.329 local terms energy: -722.381596 where: bonds (distance) C4'-P energy: -150.331 bonds (distance) P-C4' energy: -156.082 flat angles C4'-P-C4' energy: -170.822 flat angles P-C4'-P energy: -88.912 tors. eta vs tors. theta energy: -156.235 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: 6, replica: 5 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1923.478317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.478317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.478317 (E_RNA) where: Base-Base interactions energy: -1275.818 where: short stacking energy: -581.772 Base-Backbone interact. energy: -0.595 local terms energy: -647.065031 where: bonds (distance) C4'-P energy: -133.890 bonds (distance) P-C4' energy: -142.792 flat angles C4'-P-C4' energy: -151.919 flat angles P-C4'-P energy: -79.090 tors. eta vs tors. theta energy: -139.373 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: 3 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1441.536067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.536067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.536067 (E_RNA) where: Base-Base interactions energy: -868.120 where: short stacking energy: -403.093 Base-Backbone interact. energy: -0.625 local terms energy: -572.791229 where: bonds (distance) C4'-P energy: -115.394 bonds (distance) P-C4' energy: -173.776 flat angles C4'-P-C4' energy: -124.944 flat angles P-C4'-P energy: -87.400 tors. eta vs tors. theta energy: -71.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1345.115966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.115966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.115966 (E_RNA) where: Base-Base interactions energy: -846.472 where: short stacking energy: -406.784 Base-Backbone interact. energy: -0.837 local terms energy: -497.806147 where: bonds (distance) C4'-P energy: -96.673 bonds (distance) P-C4' energy: -135.064 flat angles C4'-P-C4' energy: -128.261 flat angles P-C4'-P energy: -71.845 tors. eta vs tors. theta energy: -65.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -850.546375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.546375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.546375 (E_RNA) where: Base-Base interactions energy: -419.610 where: short stacking energy: -234.832 Base-Backbone interact. energy: 1.625 local terms energy: -432.561171 where: bonds (distance) C4'-P energy: -116.394 bonds (distance) P-C4' energy: -139.605 flat angles C4'-P-C4' energy: -124.022 flat angles P-C4'-P energy: -70.030 tors. eta vs tors. theta energy: 17.490 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: 10, replica: 7 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -705.616664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.616664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.616664 (E_RNA) where: Base-Base interactions energy: -278.599 where: short stacking energy: -193.087 Base-Backbone interact. energy: 4.837 local terms energy: -431.854899 where: bonds (distance) C4'-P energy: -121.248 bonds (distance) P-C4' energy: -132.023 flat angles C4'-P-C4' energy: -120.327 flat angles P-C4'-P energy: -69.026 tors. eta vs tors. theta energy: 10.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -2641.088212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.088212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.088212 (E_RNA) where: Base-Base interactions energy: -1814.110 where: short stacking energy: -734.791 Base-Backbone interact. energy: -4.484 local terms energy: -822.494058 where: bonds (distance) C4'-P energy: -153.967 bonds (distance) P-C4' energy: -160.866 flat angles C4'-P-C4' energy: -193.419 flat angles P-C4'-P energy: -109.515 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: 2, replica: 2 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2575.131317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.131317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.131317 (E_RNA) where: Base-Base interactions energy: -1773.585 where: short stacking energy: -767.500 Base-Backbone interact. energy: -3.989 local terms energy: -797.557828 where: bonds (distance) C4'-P energy: -144.570 bonds (distance) P-C4' energy: -159.396 flat angles C4'-P-C4' energy: -173.354 flat angles P-C4'-P energy: -112.255 tors. eta vs tors. theta energy: -207.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -2538.006017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.006017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.006017 (E_RNA) where: Base-Base interactions energy: -1744.612 where: short stacking energy: -728.624 Base-Backbone interact. energy: 0.998 local terms energy: -794.392015 where: bonds (distance) C4'-P energy: -152.057 bonds (distance) P-C4' energy: -144.608 flat angles C4'-P-C4' energy: -180.838 flat angles P-C4'-P energy: -104.837 tors. eta vs tors. theta energy: -212.052 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: 4 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -2312.288696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.288696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.288696 (E_RNA) where: Base-Base interactions energy: -1527.721 where: short stacking energy: -671.355 Base-Backbone interact. energy: -0.349 local terms energy: -784.219135 where: bonds (distance) C4'-P energy: -156.215 bonds (distance) P-C4' energy: -150.875 flat angles C4'-P-C4' energy: -180.789 flat angles P-C4'-P energy: -109.892 tors. eta vs tors. theta energy: -186.449 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: 5, replica: 6 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -1974.375433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.375433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.375433 (E_RNA) where: Base-Base interactions energy: -1275.868 where: short stacking energy: -593.595 Base-Backbone interact. energy: 0.995 local terms energy: -699.502315 where: bonds (distance) C4'-P energy: -148.147 bonds (distance) P-C4' energy: -137.892 flat angles C4'-P-C4' energy: -151.721 flat angles P-C4'-P energy: -98.163 tors. eta vs tors. theta energy: -163.580 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: 6, replica: 5 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1934.418707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.418707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.418707 (E_RNA) where: Base-Base interactions energy: -1243.318 where: short stacking energy: -562.948 Base-Backbone interact. energy: -1.044 local terms energy: -690.056388 where: bonds (distance) C4'-P energy: -134.149 bonds (distance) P-C4' energy: -146.539 flat angles C4'-P-C4' energy: -159.619 flat angles P-C4'-P energy: -109.088 tors. eta vs tors. theta energy: -140.661 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: 3 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1479.676863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.676863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.676863 (E_RNA) where: Base-Base interactions energy: -914.414 where: short stacking energy: -411.914 Base-Backbone interact. energy: -3.555 local terms energy: -561.707861 where: bonds (distance) C4'-P energy: -129.660 bonds (distance) P-C4' energy: -138.729 flat angles C4'-P-C4' energy: -139.055 flat angles P-C4'-P energy: -79.682 tors. eta vs tors. theta energy: -74.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1315.080854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.080854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.080854 (E_RNA) where: Base-Base interactions energy: -812.413 where: short stacking energy: -371.381 Base-Backbone interact. energy: 12.390 local terms energy: -515.057890 where: bonds (distance) C4'-P energy: -113.672 bonds (distance) P-C4' energy: -148.946 flat angles C4'-P-C4' energy: -133.629 flat angles P-C4'-P energy: -74.137 tors. eta vs tors. theta energy: -44.674 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: 9 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -866.720930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.720930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.720930 (E_RNA) where: Base-Base interactions energy: -423.967 where: short stacking energy: -258.364 Base-Backbone interact. energy: 3.665 local terms energy: -446.418881 where: bonds (distance) C4'-P energy: -124.262 bonds (distance) P-C4' energy: -125.187 flat angles C4'-P-C4' energy: -125.410 flat angles P-C4'-P energy: -58.013 tors. eta vs tors. theta energy: -13.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -752.044087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.044087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.044087 (E_RNA) where: Base-Base interactions energy: -326.789 where: short stacking energy: -208.206 Base-Backbone interact. energy: -4.119 local terms energy: -421.135432 where: bonds (distance) C4'-P energy: -121.576 bonds (distance) P-C4' energy: -116.440 flat angles C4'-P-C4' energy: -130.623 flat angles P-C4'-P energy: -54.126 tors. eta vs tors. theta energy: 1.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -2705.813935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.813935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.813935 (E_RNA) where: Base-Base interactions energy: -1867.008 where: short stacking energy: -775.472 Base-Backbone interact. energy: -10.977 local terms energy: -827.829366 where: bonds (distance) C4'-P energy: -144.854 bonds (distance) P-C4' energy: -153.608 flat angles C4'-P-C4' energy: -188.360 flat angles P-C4'-P energy: -115.148 tors. eta vs tors. theta energy: -225.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -2538.448576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.448576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.448576 (E_RNA) where: Base-Base interactions energy: -1728.816 where: short stacking energy: -780.304 Base-Backbone interact. energy: -5.766 local terms energy: -803.867193 where: bonds (distance) C4'-P energy: -141.722 bonds (distance) P-C4' energy: -154.016 flat angles C4'-P-C4' energy: -168.169 flat angles P-C4'-P energy: -126.445 tors. eta vs tors. theta energy: -213.516 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: 1 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -2510.100867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.100867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.100867 (E_RNA) where: Base-Base interactions energy: -1697.114 where: short stacking energy: -702.784 Base-Backbone interact. energy: -0.188 local terms energy: -812.798682 where: bonds (distance) C4'-P energy: -149.132 bonds (distance) P-C4' energy: -168.980 flat angles C4'-P-C4' energy: -179.452 flat angles P-C4'-P energy: -118.313 tors. eta vs tors. theta energy: -196.922 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: 4, replica: 4 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -2292.711351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.711351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.711351 (E_RNA) where: Base-Base interactions energy: -1534.169 where: short stacking energy: -665.627 Base-Backbone interact. energy: -5.292 local terms energy: -753.250183 where: bonds (distance) C4'-P energy: -146.588 bonds (distance) P-C4' energy: -149.032 flat angles C4'-P-C4' energy: -172.111 flat angles P-C4'-P energy: -108.057 tors. eta vs tors. theta energy: -177.462 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: 5, replica: 6 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -2017.908425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.908425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.908425 (E_RNA) where: Base-Base interactions energy: -1340.583 where: short stacking energy: -572.855 Base-Backbone interact. energy: -0.981 local terms energy: -676.344497 where: bonds (distance) C4'-P energy: -137.631 bonds (distance) P-C4' energy: -121.657 flat angles C4'-P-C4' energy: -151.382 flat angles P-C4'-P energy: -105.570 tors. eta vs tors. theta energy: -160.106 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: 223 Temperature: 1.150000 Total energy: -1944.886929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.886929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.886929 (E_RNA) where: Base-Base interactions energy: -1234.247 where: short stacking energy: -569.629 Base-Backbone interact. energy: -0.121 local terms energy: -710.519440 where: bonds (distance) C4'-P energy: -135.586 bonds (distance) P-C4' energy: -151.994 flat angles C4'-P-C4' energy: -152.010 flat angles P-C4'-P energy: -117.087 tors. eta vs tors. theta energy: -153.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1582.634566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.634566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.634566 (E_RNA) where: Base-Base interactions energy: -970.916 where: short stacking energy: -442.431 Base-Backbone interact. energy: 4.876 local terms energy: -616.595030 where: bonds (distance) C4'-P energy: -136.278 bonds (distance) P-C4' energy: -159.185 flat angles C4'-P-C4' energy: -155.510 flat angles P-C4'-P energy: -66.625 tors. eta vs tors. theta energy: -98.998 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: 10 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1360.079733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.079733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.079733 (E_RNA) where: Base-Base interactions energy: -835.748 where: short stacking energy: -382.151 Base-Backbone interact. energy: 9.170 local terms energy: -533.501282 where: bonds (distance) C4'-P energy: -120.222 bonds (distance) P-C4' energy: -146.839 flat angles C4'-P-C4' energy: -127.436 flat angles P-C4'-P energy: -77.578 tors. eta vs tors. theta energy: -61.427 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: 9 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -857.731246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.731246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.731246 (E_RNA) where: Base-Base interactions energy: -397.944 where: short stacking energy: -252.385 Base-Backbone interact. energy: 6.531 local terms energy: -466.318007 where: bonds (distance) C4'-P energy: -132.689 bonds (distance) P-C4' energy: -146.093 flat angles C4'-P-C4' energy: -126.896 flat angles P-C4'-P energy: -57.538 tors. eta vs tors. theta energy: -3.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -825.193709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.193709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.193709 (E_RNA) where: Base-Base interactions energy: -394.783 where: short stacking energy: -237.358 Base-Backbone interact. energy: -0.414 local terms energy: -429.996466 where: bonds (distance) C4'-P energy: -113.770 bonds (distance) P-C4' energy: -142.910 flat angles C4'-P-C4' energy: -103.226 flat angles P-C4'-P energy: -61.569 tors. eta vs tors. theta energy: -8.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -2694.745345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.745345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.745345 (E_RNA) where: Base-Base interactions energy: -1854.834 where: short stacking energy: -768.436 Base-Backbone interact. energy: -3.893 local terms energy: -836.019028 where: bonds (distance) C4'-P energy: -151.085 bonds (distance) P-C4' energy: -159.270 flat angles C4'-P-C4' energy: -182.580 flat angles P-C4'-P energy: -121.236 tors. eta vs tors. theta energy: -221.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -2569.959399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.959399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.959399 (E_RNA) where: Base-Base interactions energy: -1738.317 where: short stacking energy: -727.253 Base-Backbone interact. energy: -2.520 local terms energy: -829.122515 where: bonds (distance) C4'-P energy: -166.322 bonds (distance) P-C4' energy: -157.488 flat angles C4'-P-C4' energy: -179.787 flat angles P-C4'-P energy: -108.554 tors. eta vs tors. theta energy: -216.971 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: 1 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2537.689086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.689086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.689086 (E_RNA) where: Base-Base interactions energy: -1744.101 where: short stacking energy: -735.460 Base-Backbone interact. energy: -0.743 local terms energy: -792.845100 where: bonds (distance) C4'-P energy: -148.466 bonds (distance) P-C4' energy: -149.730 flat angles C4'-P-C4' energy: -167.274 flat angles P-C4'-P energy: -115.775 tors. eta vs tors. theta energy: -211.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -2275.042718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.042718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.042718 (E_RNA) where: Base-Base interactions energy: -1542.395 where: short stacking energy: -697.557 Base-Backbone interact. energy: -2.733 local terms energy: -729.914693 where: bonds (distance) C4'-P energy: -98.398 bonds (distance) P-C4' energy: -170.101 flat angles C4'-P-C4' energy: -161.892 flat angles P-C4'-P energy: -105.751 tors. eta vs tors. theta energy: -193.772 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: 5, replica: 6 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -2055.541465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.541465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.541465 (E_RNA) where: Base-Base interactions energy: -1358.753 where: short stacking energy: -550.607 Base-Backbone interact. energy: -0.192 local terms energy: -696.596792 where: bonds (distance) C4'-P energy: -132.969 bonds (distance) P-C4' energy: -144.353 flat angles C4'-P-C4' energy: -158.936 flat angles P-C4'-P energy: -113.250 tors. eta vs tors. theta energy: -147.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1969.292825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.292825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.292825 (E_RNA) where: Base-Base interactions energy: -1266.292 where: short stacking energy: -557.733 Base-Backbone interact. energy: -2.839 local terms energy: -700.161836 where: bonds (distance) C4'-P energy: -145.534 bonds (distance) P-C4' energy: -143.812 flat angles C4'-P-C4' energy: -162.940 flat angles P-C4'-P energy: -96.820 tors. eta vs tors. theta energy: -151.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1480.754908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.754908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.754908 (E_RNA) where: Base-Base interactions energy: -893.901 where: short stacking energy: -424.693 Base-Backbone interact. energy: 3.547 local terms energy: -590.400714 where: bonds (distance) C4'-P energy: -130.111 bonds (distance) P-C4' energy: -155.364 flat angles C4'-P-C4' energy: -143.064 flat angles P-C4'-P energy: -76.424 tors. eta vs tors. theta energy: -85.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1332.371662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.371662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.371662 (E_RNA) where: Base-Base interactions energy: -819.217 where: short stacking energy: -392.743 Base-Backbone interact. energy: 1.982 local terms energy: -515.136770 where: bonds (distance) C4'-P energy: -122.259 bonds (distance) P-C4' energy: -117.290 flat angles C4'-P-C4' energy: -128.895 flat angles P-C4'-P energy: -79.772 tors. eta vs tors. theta energy: -66.920 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: 9 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -856.826150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.826150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.826150 (E_RNA) where: Base-Base interactions energy: -416.134 where: short stacking energy: -230.717 Base-Backbone interact. energy: 1.973 local terms energy: -442.665463 where: bonds (distance) C4'-P energy: -120.157 bonds (distance) P-C4' energy: -140.994 flat angles C4'-P-C4' energy: -119.137 flat angles P-C4'-P energy: -65.896 tors. eta vs tors. theta energy: 3.519 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: 10, replica: 7 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -832.539271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.539271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.539271 (E_RNA) where: Base-Base interactions energy: -400.410 where: short stacking energy: -241.681 Base-Backbone interact. energy: 2.247 local terms energy: -434.375724 where: bonds (distance) C4'-P energy: -115.527 bonds (distance) P-C4' energy: -132.665 flat angles C4'-P-C4' energy: -104.052 flat angles P-C4'-P energy: -78.493 tors. eta vs tors. theta energy: -3.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -2657.225413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.225413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.225413 (E_RNA) where: Base-Base interactions energy: -1806.779 where: short stacking energy: -747.516 Base-Backbone interact. energy: -1.859 local terms energy: -848.586520 where: bonds (distance) C4'-P energy: -168.218 bonds (distance) P-C4' energy: -168.615 flat angles C4'-P-C4' energy: -173.156 flat angles P-C4'-P energy: -116.688 tors. eta vs tors. theta energy: -221.909 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: 2 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2593.241099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.241099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.241099 (E_RNA) where: Base-Base interactions energy: -1781.176 where: short stacking energy: -751.540 Base-Backbone interact. energy: 2.852 local terms energy: -814.917309 where: bonds (distance) C4'-P energy: -158.263 bonds (distance) P-C4' energy: -154.736 flat angles C4'-P-C4' energy: -171.097 flat angles P-C4'-P energy: -119.351 tors. eta vs tors. theta energy: -211.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -2518.635376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.635376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.635376 (E_RNA) where: Base-Base interactions energy: -1719.677 where: short stacking energy: -695.040 Base-Backbone interact. energy: -3.738 local terms energy: -795.220560 where: bonds (distance) C4'-P energy: -147.573 bonds (distance) P-C4' energy: -159.030 flat angles C4'-P-C4' energy: -177.138 flat angles P-C4'-P energy: -109.260 tors. eta vs tors. theta energy: -202.219 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: 4, replica: 4 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -2326.916638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.916638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.916638 (E_RNA) where: Base-Base interactions energy: -1549.706 where: short stacking energy: -665.073 Base-Backbone interact. energy: 3.096 local terms energy: -780.305933 where: bonds (distance) C4'-P energy: -135.758 bonds (distance) P-C4' energy: -156.110 flat angles C4'-P-C4' energy: -166.766 flat angles P-C4'-P energy: -122.046 tors. eta vs tors. theta energy: -199.625 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: 6 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -2116.480362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.480362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.480362 (E_RNA) where: Base-Base interactions energy: -1400.484 where: short stacking energy: -620.503 Base-Backbone interact. energy: -3.954 local terms energy: -712.042903 where: bonds (distance) C4'-P energy: -135.651 bonds (distance) P-C4' energy: -150.271 flat angles C4'-P-C4' energy: -172.767 flat angles P-C4'-P energy: -91.634 tors. eta vs tors. theta energy: -161.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1962.138299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.138299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.138299 (E_RNA) where: Base-Base interactions energy: -1304.920 where: short stacking energy: -601.423 Base-Backbone interact. energy: -4.782 local terms energy: -652.436310 where: bonds (distance) C4'-P energy: -134.915 bonds (distance) P-C4' energy: -135.451 flat angles C4'-P-C4' energy: -144.109 flat angles P-C4'-P energy: -95.200 tors. eta vs tors. theta energy: -142.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1583.218122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.218122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.218122 (E_RNA) where: Base-Base interactions energy: -1014.849 where: short stacking energy: -464.130 Base-Backbone interact. energy: -0.155 local terms energy: -568.214160 where: bonds (distance) C4'-P energy: -129.441 bonds (distance) P-C4' energy: -150.395 flat angles C4'-P-C4' energy: -137.215 flat angles P-C4'-P energy: -67.719 tors. eta vs tors. theta energy: -83.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1331.280414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.280414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.280414 (E_RNA) where: Base-Base interactions energy: -785.695 where: short stacking energy: -379.618 Base-Backbone interact. energy: -1.327 local terms energy: -544.258414 where: bonds (distance) C4'-P energy: -123.050 bonds (distance) P-C4' energy: -153.770 flat angles C4'-P-C4' energy: -139.994 flat angles P-C4'-P energy: -73.578 tors. eta vs tors. theta energy: -53.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -901.556593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.556593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.556593 (E_RNA) where: Base-Base interactions energy: -445.551 where: short stacking energy: -239.985 Base-Backbone interact. energy: 1.997 local terms energy: -458.002550 where: bonds (distance) C4'-P energy: -144.958 bonds (distance) P-C4' energy: -141.781 flat angles C4'-P-C4' energy: -107.787 flat angles P-C4'-P energy: -64.931 tors. eta vs tors. theta energy: 1.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -794.079071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.079071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.079071 (E_RNA) where: Base-Base interactions energy: -348.318 where: short stacking energy: -219.196 Base-Backbone interact. energy: 9.044 local terms energy: -454.805186 where: bonds (distance) C4'-P energy: -121.261 bonds (distance) P-C4' energy: -130.395 flat angles C4'-P-C4' energy: -123.538 flat angles P-C4'-P energy: -80.639 tors. eta vs tors. theta energy: 1.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -2678.595050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.595050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.595050 (E_RNA) where: Base-Base interactions energy: -1850.965 where: short stacking energy: -778.034 Base-Backbone interact. energy: -4.993 local terms energy: -822.637108 where: bonds (distance) C4'-P energy: -160.406 bonds (distance) P-C4' energy: -147.635 flat angles C4'-P-C4' energy: -179.060 flat angles P-C4'-P energy: -110.888 tors. eta vs tors. theta energy: -224.648 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: 2, replica: 2 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2578.087990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.087990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.087990 (E_RNA) where: Base-Base interactions energy: -1746.624 where: short stacking energy: -752.228 Base-Backbone interact. energy: -3.267 local terms energy: -828.197521 where: bonds (distance) C4'-P energy: -176.165 bonds (distance) P-C4' energy: -165.654 flat angles C4'-P-C4' energy: -178.023 flat angles P-C4'-P energy: -117.558 tors. eta vs tors. theta energy: -190.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -2468.792614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.792614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.792614 (E_RNA) where: Base-Base interactions energy: -1717.062 where: short stacking energy: -710.521 Base-Backbone interact. energy: -2.590 local terms energy: -749.140584 where: bonds (distance) C4'-P energy: -149.643 bonds (distance) P-C4' energy: -140.548 flat angles C4'-P-C4' energy: -165.307 flat angles P-C4'-P energy: -105.977 tors. eta vs tors. theta energy: -187.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -2386.658492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.658492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.658492 (E_RNA) where: Base-Base interactions energy: -1604.596 where: short stacking energy: -716.669 Base-Backbone interact. energy: -3.533 local terms energy: -778.529351 where: bonds (distance) C4'-P energy: -147.091 bonds (distance) P-C4' energy: -150.526 flat angles C4'-P-C4' energy: -171.562 flat angles P-C4'-P energy: -92.291 tors. eta vs tors. theta energy: -217.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -2071.276839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.276839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.276839 (E_RNA) where: Base-Base interactions energy: -1333.287 where: short stacking energy: -603.888 Base-Backbone interact. energy: -3.717 local terms energy: -734.272934 where: bonds (distance) C4'-P energy: -151.913 bonds (distance) P-C4' energy: -158.936 flat angles C4'-P-C4' energy: -160.956 flat angles P-C4'-P energy: -106.178 tors. eta vs tors. theta energy: -156.290 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: 226 Temperature: 1.150000 Total energy: -1902.328227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.328227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.328227 (E_RNA) where: Base-Base interactions energy: -1221.767 where: short stacking energy: -575.953 Base-Backbone interact. energy: -4.029 local terms energy: -676.532576 where: bonds (distance) C4'-P energy: -130.223 bonds (distance) P-C4' energy: -154.707 flat angles C4'-P-C4' energy: -151.905 flat angles P-C4'-P energy: -107.016 tors. eta vs tors. theta energy: -132.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1513.299719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.299719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.299719 (E_RNA) where: Base-Base interactions energy: -926.998 where: short stacking energy: -434.691 Base-Backbone interact. energy: 0.084 local terms energy: -586.385102 where: bonds (distance) C4'-P energy: -128.258 bonds (distance) P-C4' energy: -137.892 flat angles C4'-P-C4' energy: -131.270 flat angles P-C4'-P energy: -109.148 tors. eta vs tors. theta energy: -79.817 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: 10 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1159.883376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.883376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.883376 (E_RNA) where: Base-Base interactions energy: -650.230 where: short stacking energy: -300.725 Base-Backbone interact. energy: 0.154 local terms energy: -509.807144 where: bonds (distance) C4'-P energy: -129.275 bonds (distance) P-C4' energy: -156.799 flat angles C4'-P-C4' energy: -141.078 flat angles P-C4'-P energy: -61.624 tors. eta vs tors. theta energy: -21.032 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: 9, replica: 9 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -898.746605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.746605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.746605 (E_RNA) where: Base-Base interactions energy: -451.120 where: short stacking energy: -265.675 Base-Backbone interact. energy: 1.898 local terms energy: -449.523919 where: bonds (distance) C4'-P energy: -143.390 bonds (distance) P-C4' energy: -110.334 flat angles C4'-P-C4' energy: -131.993 flat angles P-C4'-P energy: -51.678 tors. eta vs tors. theta energy: -12.130 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: 10, replica: 7 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -831.957751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.957751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.957751 (E_RNA) where: Base-Base interactions energy: -365.654 where: short stacking energy: -223.458 Base-Backbone interact. energy: -3.755 local terms energy: -462.548360 where: bonds (distance) C4'-P energy: -128.866 bonds (distance) P-C4' energy: -155.690 flat angles C4'-P-C4' energy: -113.336 flat angles P-C4'-P energy: -63.218 tors. eta vs tors. theta energy: -1.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -2675.946016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.946016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.946016 (E_RNA) where: Base-Base interactions energy: -1878.658 where: short stacking energy: -788.606 Base-Backbone interact. energy: -4.398 local terms energy: -792.889468 where: bonds (distance) C4'-P energy: -134.945 bonds (distance) P-C4' energy: -156.433 flat angles C4'-P-C4' energy: -179.086 flat angles P-C4'-P energy: -109.193 tors. eta vs tors. theta energy: -213.233 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: 2 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -2583.001551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.001551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.001551 (E_RNA) where: Base-Base interactions energy: -1769.967 where: short stacking energy: -743.334 Base-Backbone interact. energy: -2.047 local terms energy: -810.987503 where: bonds (distance) C4'-P energy: -159.031 bonds (distance) P-C4' energy: -153.186 flat angles C4'-P-C4' energy: -174.148 flat angles P-C4'-P energy: -116.411 tors. eta vs tors. theta energy: -208.211 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: 3, replica: 1 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -2524.243357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.243357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.243357 (E_RNA) where: Base-Base interactions energy: -1737.917 where: short stacking energy: -699.932 Base-Backbone interact. energy: 3.280 local terms energy: -789.606450 where: bonds (distance) C4'-P energy: -153.905 bonds (distance) P-C4' energy: -148.621 flat angles C4'-P-C4' energy: -179.154 flat angles P-C4'-P energy: -121.656 tors. eta vs tors. theta energy: -186.270 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: 227 Temperature: 1.050000 Total energy: -2332.695199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.695199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.695199 (E_RNA) where: Base-Base interactions energy: -1563.984 where: short stacking energy: -683.190 Base-Backbone interact. energy: 1.383 local terms energy: -770.094365 where: bonds (distance) C4'-P energy: -142.843 bonds (distance) P-C4' energy: -149.287 flat angles C4'-P-C4' energy: -168.310 flat angles P-C4'-P energy: -114.971 tors. eta vs tors. theta energy: -194.684 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: 6 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -2049.660549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.660549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.660549 (E_RNA) where: Base-Base interactions energy: -1373.303 where: short stacking energy: -567.533 Base-Backbone interact. energy: -1.526 local terms energy: -674.831603 where: bonds (distance) C4'-P energy: -113.177 bonds (distance) P-C4' energy: -157.308 flat angles C4'-P-C4' energy: -145.795 flat angles P-C4'-P energy: -100.931 tors. eta vs tors. theta energy: -157.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1973.483423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.483423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.483423 (E_RNA) where: Base-Base interactions energy: -1282.542 where: short stacking energy: -572.177 Base-Backbone interact. energy: -0.506 local terms energy: -690.435491 where: bonds (distance) C4'-P energy: -129.858 bonds (distance) P-C4' energy: -147.538 flat angles C4'-P-C4' energy: -161.102 flat angles P-C4'-P energy: -95.434 tors. eta vs tors. theta energy: -156.503 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: 7, replica: 3 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1545.075037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.075037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.075037 (E_RNA) where: Base-Base interactions energy: -936.133 where: short stacking energy: -404.493 Base-Backbone interact. energy: 2.274 local terms energy: -611.215865 where: bonds (distance) C4'-P energy: -147.456 bonds (distance) P-C4' energy: -147.500 flat angles C4'-P-C4' energy: -131.171 flat angles P-C4'-P energy: -107.395 tors. eta vs tors. theta energy: -77.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1216.181141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.181141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.181141 (E_RNA) where: Base-Base interactions energy: -685.893 where: short stacking energy: -313.955 Base-Backbone interact. energy: -1.845 local terms energy: -528.442873 where: bonds (distance) C4'-P energy: -134.762 bonds (distance) P-C4' energy: -142.221 flat angles C4'-P-C4' energy: -122.932 flat angles P-C4'-P energy: -98.038 tors. eta vs tors. theta energy: -30.490 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: 227 Temperature: 1.300000 Total energy: -903.392499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.392499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.392499 (E_RNA) where: Base-Base interactions energy: -445.570 where: short stacking energy: -262.258 Base-Backbone interact. energy: 1.022 local terms energy: -458.843536 where: bonds (distance) C4'-P energy: -135.526 bonds (distance) P-C4' energy: -143.548 flat angles C4'-P-C4' energy: -119.423 flat angles P-C4'-P energy: -68.392 tors. eta vs tors. theta energy: 8.045 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: 10, replica: 7 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -818.414098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.414098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.414098 (E_RNA) where: Base-Base interactions energy: -400.029 where: short stacking energy: -222.821 Base-Backbone interact. energy: 10.263 local terms energy: -428.648066 where: bonds (distance) C4'-P energy: -105.520 bonds (distance) P-C4' energy: -120.627 flat angles C4'-P-C4' energy: -121.023 flat angles P-C4'-P energy: -76.689 tors. eta vs tors. theta energy: -4.789 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: 8 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -2708.727695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.727695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.727695 (E_RNA) where: Base-Base interactions energy: -1888.361 where: short stacking energy: -757.702 Base-Backbone interact. energy: -7.299 local terms energy: -813.068272 where: bonds (distance) C4'-P energy: -162.720 bonds (distance) P-C4' energy: -159.389 flat angles C4'-P-C4' energy: -172.471 flat angles P-C4'-P energy: -109.446 tors. eta vs tors. theta energy: -209.043 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: 2 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2593.626073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.626073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.626073 (E_RNA) where: Base-Base interactions energy: -1780.523 where: short stacking energy: -729.532 Base-Backbone interact. energy: -6.585 local terms energy: -806.517943 where: bonds (distance) C4'-P energy: -155.903 bonds (distance) P-C4' energy: -164.227 flat angles C4'-P-C4' energy: -173.769 flat angles P-C4'-P energy: -110.030 tors. eta vs tors. theta energy: -202.588 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: 1 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -2490.146454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.146454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.146454 (E_RNA) where: Base-Base interactions energy: -1747.356 where: short stacking energy: -711.087 Base-Backbone interact. energy: -3.615 local terms energy: -739.175117 where: bonds (distance) C4'-P energy: -138.780 bonds (distance) P-C4' energy: -153.044 flat angles C4'-P-C4' energy: -158.809 flat angles P-C4'-P energy: -90.152 tors. eta vs tors. theta energy: -198.391 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: 4, replica: 4 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -2354.164761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.164761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.164761 (E_RNA) where: Base-Base interactions energy: -1577.565 where: short stacking energy: -687.662 Base-Backbone interact. energy: -4.390 local terms energy: -772.209657 where: bonds (distance) C4'-P energy: -148.210 bonds (distance) P-C4' energy: -159.426 flat angles C4'-P-C4' energy: -165.379 flat angles P-C4'-P energy: -107.481 tors. eta vs tors. theta energy: -191.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -2066.024448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.024448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.024448 (E_RNA) where: Base-Base interactions energy: -1396.463 where: short stacking energy: -600.251 Base-Backbone interact. energy: -4.624 local terms energy: -664.937028 where: bonds (distance) C4'-P energy: -120.677 bonds (distance) P-C4' energy: -145.522 flat angles C4'-P-C4' energy: -150.796 flat angles P-C4'-P energy: -101.432 tors. eta vs tors. theta energy: -146.510 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: 228 Temperature: 1.150000 Total energy: -1943.482367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.482367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.482367 (E_RNA) where: Base-Base interactions energy: -1273.239 where: short stacking energy: -576.757 Base-Backbone interact. energy: -2.696 local terms energy: -667.547544 where: bonds (distance) C4'-P energy: -116.724 bonds (distance) P-C4' energy: -147.014 flat angles C4'-P-C4' energy: -146.735 flat angles P-C4'-P energy: -107.203 tors. eta vs tors. theta energy: -149.872 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: 3 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1530.963587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.963587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.963587 (E_RNA) where: Base-Base interactions energy: -970.273 where: short stacking energy: -439.502 Base-Backbone interact. energy: -1.202 local terms energy: -559.488687 where: bonds (distance) C4'-P energy: -120.523 bonds (distance) P-C4' energy: -149.015 flat angles C4'-P-C4' energy: -130.789 flat angles P-C4'-P energy: -87.806 tors. eta vs tors. theta energy: -71.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1175.053212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.053212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.053212 (E_RNA) where: Base-Base interactions energy: -656.856 where: short stacking energy: -314.510 Base-Backbone interact. energy: -2.256 local terms energy: -515.941877 where: bonds (distance) C4'-P energy: -150.855 bonds (distance) P-C4' energy: -125.610 flat angles C4'-P-C4' energy: -125.979 flat angles P-C4'-P energy: -84.758 tors. eta vs tors. theta energy: -28.740 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: 9 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -905.501398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.501398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.501398 (E_RNA) where: Base-Base interactions energy: -430.927 where: short stacking energy: -252.719 Base-Backbone interact. energy: 2.208 local terms energy: -476.782939 where: bonds (distance) C4'-P energy: -129.695 bonds (distance) P-C4' energy: -154.095 flat angles C4'-P-C4' energy: -110.552 flat angles P-C4'-P energy: -69.527 tors. eta vs tors. theta energy: -12.914 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: 7 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -809.047540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.047540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.047540 (E_RNA) where: Base-Base interactions energy: -390.056 where: short stacking energy: -251.363 Base-Backbone interact. energy: 0.039 local terms energy: -419.029903 where: bonds (distance) C4'-P energy: -127.994 bonds (distance) P-C4' energy: -130.803 flat angles C4'-P-C4' energy: -106.426 flat angles P-C4'-P energy: -60.285 tors. eta vs tors. theta energy: 6.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -2687.056605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.056605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.056605 (E_RNA) where: Base-Base interactions energy: -1843.365 where: short stacking energy: -750.605 Base-Backbone interact. energy: -5.882 local terms energy: -837.810229 where: bonds (distance) C4'-P energy: -172.364 bonds (distance) P-C4' energy: -162.092 flat angles C4'-P-C4' energy: -170.850 flat angles P-C4'-P energy: -114.160 tors. eta vs tors. theta energy: -218.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -2625.774181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.774181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.774181 (E_RNA) where: Base-Base interactions energy: -1830.177 where: short stacking energy: -765.231 Base-Backbone interact. energy: -2.907 local terms energy: -792.690337 where: bonds (distance) C4'-P energy: -143.239 bonds (distance) P-C4' energy: -152.018 flat angles C4'-P-C4' energy: -170.686 flat angles P-C4'-P energy: -110.782 tors. eta vs tors. theta energy: -215.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2495.549726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.549726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.549726 (E_RNA) where: Base-Base interactions energy: -1716.234 where: short stacking energy: -698.524 Base-Backbone interact. energy: -1.661 local terms energy: -777.654106 where: bonds (distance) C4'-P energy: -149.642 bonds (distance) P-C4' energy: -159.163 flat angles C4'-P-C4' energy: -154.619 flat angles P-C4'-P energy: -121.232 tors. eta vs tors. theta energy: -192.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -2339.726245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.726245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.726245 (E_RNA) where: Base-Base interactions energy: -1564.179 where: short stacking energy: -658.559 Base-Backbone interact. energy: 0.871 local terms energy: -776.418323 where: bonds (distance) C4'-P energy: -156.985 bonds (distance) P-C4' energy: -151.007 flat angles C4'-P-C4' energy: -167.987 flat angles P-C4'-P energy: -104.610 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: 5, replica: 6 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -2077.295008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.295008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.295008 (E_RNA) where: Base-Base interactions energy: -1421.978 where: short stacking energy: -615.232 Base-Backbone interact. energy: -3.357 local terms energy: -651.960310 where: bonds (distance) C4'-P energy: -128.421 bonds (distance) P-C4' energy: -142.484 flat angles C4'-P-C4' energy: -148.118 flat angles P-C4'-P energy: -80.352 tors. eta vs tors. theta energy: -152.586 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: 6, replica: 5 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -1942.148926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.148926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.148926 (E_RNA) where: Base-Base interactions energy: -1245.785 where: short stacking energy: -592.634 Base-Backbone interact. energy: -2.259 local terms energy: -694.104025 where: bonds (distance) C4'-P energy: -147.381 bonds (distance) P-C4' energy: -149.086 flat angles C4'-P-C4' energy: -145.137 flat angles P-C4'-P energy: -97.140 tors. eta vs tors. theta energy: -155.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1534.969199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.969199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.969199 (E_RNA) where: Base-Base interactions energy: -953.941 where: short stacking energy: -436.682 Base-Backbone interact. energy: 6.470 local terms energy: -587.497494 where: bonds (distance) C4'-P energy: -139.821 bonds (distance) P-C4' energy: -120.031 flat angles C4'-P-C4' energy: -135.873 flat angles P-C4'-P energy: -98.966 tors. eta vs tors. theta energy: -92.806 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: 10 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1124.065976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.065976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.065976 (E_RNA) where: Base-Base interactions energy: -605.987 where: short stacking energy: -344.802 Base-Backbone interact. energy: -5.143 local terms energy: -512.935810 where: bonds (distance) C4'-P energy: -117.350 bonds (distance) P-C4' energy: -144.288 flat angles C4'-P-C4' energy: -123.395 flat angles P-C4'-P energy: -88.850 tors. eta vs tors. theta energy: -39.052 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: 9, replica: 9 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -923.191877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.191877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.191877 (E_RNA) where: Base-Base interactions energy: -465.836 where: short stacking energy: -242.484 Base-Backbone interact. energy: -0.499 local terms energy: -456.857623 where: bonds (distance) C4'-P energy: -124.961 bonds (distance) P-C4' energy: -146.110 flat angles C4'-P-C4' energy: -132.048 flat angles P-C4'-P energy: -59.901 tors. eta vs tors. theta energy: 6.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -857.455027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.455027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.455027 (E_RNA) where: Base-Base interactions energy: -427.967 where: short stacking energy: -220.739 Base-Backbone interact. energy: -0.583 local terms energy: -428.905243 where: bonds (distance) C4'-P energy: -130.070 bonds (distance) P-C4' energy: -140.743 flat angles C4'-P-C4' energy: -92.263 flat angles P-C4'-P energy: -64.998 tors. eta vs tors. theta energy: -0.832 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: 2 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -2659.585267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.585267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.585267 (E_RNA) where: Base-Base interactions energy: -1805.235 where: short stacking energy: -747.838 Base-Backbone interact. energy: -4.862 local terms energy: -849.488016 where: bonds (distance) C4'-P energy: -155.228 bonds (distance) P-C4' energy: -154.993 flat angles C4'-P-C4' energy: -190.614 flat angles P-C4'-P energy: -127.310 tors. eta vs tors. theta energy: -221.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -2612.326925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.326925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.326925 (E_RNA) where: Base-Base interactions energy: -1802.068 where: short stacking energy: -729.844 Base-Backbone interact. energy: 0.735 local terms energy: -810.993964 where: bonds (distance) C4'-P energy: -160.690 bonds (distance) P-C4' energy: -148.057 flat angles C4'-P-C4' energy: -172.142 flat angles P-C4'-P energy: -119.132 tors. eta vs tors. theta energy: -210.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -2492.968399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.968399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.968399 (E_RNA) where: Base-Base interactions energy: -1703.925 where: short stacking energy: -711.054 Base-Backbone interact. energy: -3.857 local terms energy: -785.186420 where: bonds (distance) C4'-P energy: -153.540 bonds (distance) P-C4' energy: -166.211 flat angles C4'-P-C4' energy: -165.087 flat angles P-C4'-P energy: -113.262 tors. eta vs tors. theta energy: -187.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -2369.731714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.731714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.731714 (E_RNA) where: Base-Base interactions energy: -1594.802 where: short stacking energy: -702.157 Base-Backbone interact. energy: -5.344 local terms energy: -769.585498 where: bonds (distance) C4'-P energy: -160.819 bonds (distance) P-C4' energy: -149.128 flat angles C4'-P-C4' energy: -158.619 flat angles P-C4'-P energy: -100.165 tors. eta vs tors. theta energy: -200.853 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: 5, replica: 6 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -2113.834415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.834415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.834415 (E_RNA) where: Base-Base interactions energy: -1390.255 where: short stacking energy: -581.059 Base-Backbone interact. energy: -3.215 local terms energy: -720.364057 where: bonds (distance) C4'-P energy: -155.726 bonds (distance) P-C4' energy: -158.775 flat angles C4'-P-C4' energy: -155.901 flat angles P-C4'-P energy: -99.804 tors. eta vs tors. theta energy: -150.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -1872.708424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.708424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.708424 (E_RNA) where: Base-Base interactions energy: -1179.297 where: short stacking energy: -530.549 Base-Backbone interact. energy: -0.363 local terms energy: -693.048649 where: bonds (distance) C4'-P energy: -158.785 bonds (distance) P-C4' energy: -166.022 flat angles C4'-P-C4' energy: -131.468 flat angles P-C4'-P energy: -110.750 tors. eta vs tors. theta energy: -126.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1511.662895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.662895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.662895 (E_RNA) where: Base-Base interactions energy: -914.357 where: short stacking energy: -445.299 Base-Backbone interact. energy: 5.819 local terms energy: -603.124924 where: bonds (distance) C4'-P energy: -120.524 bonds (distance) P-C4' energy: -149.424 flat angles C4'-P-C4' energy: -151.415 flat angles P-C4'-P energy: -90.894 tors. eta vs tors. theta energy: -90.869 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: 8, replica: 10 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1109.537041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.537041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.537041 (E_RNA) where: Base-Base interactions energy: -656.216 where: short stacking energy: -309.079 Base-Backbone interact. energy: -3.635 local terms energy: -449.686316 where: bonds (distance) C4'-P energy: -106.935 bonds (distance) P-C4' energy: -125.791 flat angles C4'-P-C4' energy: -121.364 flat angles P-C4'-P energy: -86.362 tors. eta vs tors. theta energy: -9.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -884.848763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.848763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.848763 (E_RNA) where: Base-Base interactions energy: -424.980 where: short stacking energy: -263.561 Base-Backbone interact. energy: -0.349 local terms energy: -459.519772 where: bonds (distance) C4'-P energy: -98.226 bonds (distance) P-C4' energy: -134.553 flat angles C4'-P-C4' energy: -131.896 flat angles P-C4'-P energy: -76.367 tors. eta vs tors. theta energy: -18.478 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: 9 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -834.532235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.532235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.532235 (E_RNA) where: Base-Base interactions energy: -423.495 where: short stacking energy: -208.087 Base-Backbone interact. energy: 1.462 local terms energy: -412.498545 where: bonds (distance) C4'-P energy: -124.912 bonds (distance) P-C4' energy: -126.433 flat angles C4'-P-C4' energy: -113.022 flat angles P-C4'-P energy: -66.140 tors. eta vs tors. theta energy: 18.007 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: 1, replica: 2 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -2666.587898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.587898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.587898 (E_RNA) where: Base-Base interactions energy: -1811.452 where: short stacking energy: -763.190 Base-Backbone interact. energy: -2.442 local terms energy: -852.693445 where: bonds (distance) C4'-P energy: -152.037 bonds (distance) P-C4' energy: -164.254 flat angles C4'-P-C4' energy: -186.127 flat angles P-C4'-P energy: -126.048 tors. eta vs tors. theta energy: -224.228 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: 2, replica: 8 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -2610.153374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.153374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.153374 (E_RNA) where: Base-Base interactions energy: -1792.600 where: short stacking energy: -735.201 Base-Backbone interact. energy: -2.312 local terms energy: -815.240799 where: bonds (distance) C4'-P energy: -157.447 bonds (distance) P-C4' energy: -160.487 flat angles C4'-P-C4' energy: -167.621 flat angles P-C4'-P energy: -118.047 tors. eta vs tors. theta energy: -211.639 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: 1 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -2523.194885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.194885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.194885 (E_RNA) where: Base-Base interactions energy: -1765.223 where: short stacking energy: -722.953 Base-Backbone interact. energy: -0.140 local terms energy: -757.832493 where: bonds (distance) C4'-P energy: -143.795 bonds (distance) P-C4' energy: -120.595 flat angles C4'-P-C4' energy: -172.719 flat angles P-C4'-P energy: -128.404 tors. eta vs tors. theta energy: -192.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -2335.538048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.538048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.538048 (E_RNA) where: Base-Base interactions energy: -1555.666 where: short stacking energy: -690.012 Base-Backbone interact. energy: -0.512 local terms energy: -779.359727 where: bonds (distance) C4'-P energy: -164.444 bonds (distance) P-C4' energy: -129.105 flat angles C4'-P-C4' energy: -167.537 flat angles P-C4'-P energy: -113.611 tors. eta vs tors. theta energy: -204.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -2081.678606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.678606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.678606 (E_RNA) where: Base-Base interactions energy: -1397.244 where: short stacking energy: -591.368 Base-Backbone interact. energy: -3.584 local terms energy: -680.850647 where: bonds (distance) C4'-P energy: -143.293 bonds (distance) P-C4' energy: -148.270 flat angles C4'-P-C4' energy: -163.001 flat angles P-C4'-P energy: -88.391 tors. eta vs tors. theta energy: -137.895 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: 231 Temperature: 1.150000 Total energy: -1857.573282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.573282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.573282 (E_RNA) where: Base-Base interactions energy: -1192.800 where: short stacking energy: -539.781 Base-Backbone interact. energy: 2.919 local terms energy: -667.691800 where: bonds (distance) C4'-P energy: -143.677 bonds (distance) P-C4' energy: -149.526 flat angles C4'-P-C4' energy: -150.224 flat angles P-C4'-P energy: -102.549 tors. eta vs tors. theta energy: -121.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1456.357221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.357221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.357221 (E_RNA) where: Base-Base interactions energy: -844.907 where: short stacking energy: -406.163 Base-Backbone interact. energy: 12.538 local terms energy: -623.987688 where: bonds (distance) C4'-P energy: -146.151 bonds (distance) P-C4' energy: -162.935 flat angles C4'-P-C4' energy: -142.314 flat angles P-C4'-P energy: -91.367 tors. eta vs tors. theta energy: -81.221 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: 10 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1193.021743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.021743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.021743 (E_RNA) where: Base-Base interactions energy: -703.339 where: short stacking energy: -339.448 Base-Backbone interact. energy: 7.331 local terms energy: -497.013004 where: bonds (distance) C4'-P energy: -118.175 bonds (distance) P-C4' energy: -149.204 flat angles C4'-P-C4' energy: -135.809 flat angles P-C4'-P energy: -59.572 tors. eta vs tors. theta energy: -34.252 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: 7 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -808.650749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.650749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.650749 (E_RNA) where: Base-Base interactions energy: -385.217 where: short stacking energy: -222.504 Base-Backbone interact. energy: 6.176 local terms energy: -429.609540 where: bonds (distance) C4'-P energy: -119.438 bonds (distance) P-C4' energy: -162.912 flat angles C4'-P-C4' energy: -100.318 flat angles P-C4'-P energy: -61.801 tors. eta vs tors. theta energy: 14.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -799.575620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.575620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.575620 (E_RNA) where: Base-Base interactions energy: -413.495 where: short stacking energy: -241.675 Base-Backbone interact. energy: 6.968 local terms energy: -393.048304 where: bonds (distance) C4'-P energy: -128.604 bonds (distance) P-C4' energy: -126.436 flat angles C4'-P-C4' energy: -86.135 flat angles P-C4'-P energy: -58.904 tors. eta vs tors. theta energy: 7.031 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: 1, replica: 8 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -2687.430719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.430719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.430719 (E_RNA) where: Base-Base interactions energy: -1875.864 where: short stacking energy: -746.642 Base-Backbone interact. energy: -6.072 local terms energy: -805.494391 where: bonds (distance) C4'-P energy: -154.163 bonds (distance) P-C4' energy: -156.862 flat angles C4'-P-C4' energy: -179.469 flat angles P-C4'-P energy: -113.795 tors. eta vs tors. theta energy: -201.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -2590.088123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.088123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.088123 (E_RNA) where: Base-Base interactions energy: -1808.447 where: short stacking energy: -761.177 Base-Backbone interact. energy: -1.820 local terms energy: -779.820644 where: bonds (distance) C4'-P energy: -136.248 bonds (distance) P-C4' energy: -138.866 flat angles C4'-P-C4' energy: -173.435 flat angles P-C4'-P energy: -119.536 tors. eta vs tors. theta energy: -211.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -2488.061565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.061565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.061565 (E_RNA) where: Base-Base interactions energy: -1720.502 where: short stacking energy: -697.377 Base-Backbone interact. energy: -3.533 local terms energy: -764.026181 where: bonds (distance) C4'-P energy: -162.300 bonds (distance) P-C4' energy: -140.867 flat angles C4'-P-C4' energy: -164.335 flat angles P-C4'-P energy: -118.826 tors. eta vs tors. theta energy: -177.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -2354.664178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.664178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.664178 (E_RNA) where: Base-Base interactions energy: -1604.444 where: short stacking energy: -672.608 Base-Backbone interact. energy: 5.256 local terms energy: -755.476183 where: bonds (distance) C4'-P energy: -125.269 bonds (distance) P-C4' energy: -151.678 flat angles C4'-P-C4' energy: -179.813 flat angles P-C4'-P energy: -114.118 tors. eta vs tors. theta energy: -184.598 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: 6 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -2068.717809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.717809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.717809 (E_RNA) where: Base-Base interactions energy: -1388.977 where: short stacking energy: -579.937 Base-Backbone interact. energy: 1.405 local terms energy: -681.146474 where: bonds (distance) C4'-P energy: -146.259 bonds (distance) P-C4' energy: -140.145 flat angles C4'-P-C4' energy: -145.037 flat angles P-C4'-P energy: -102.091 tors. eta vs tors. theta energy: -147.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -1858.955162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.955162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.955162 (E_RNA) where: Base-Base interactions energy: -1197.262 where: short stacking energy: -572.479 Base-Backbone interact. energy: -2.921 local terms energy: -658.771932 where: bonds (distance) C4'-P energy: -132.346 bonds (distance) P-C4' energy: -124.592 flat angles C4'-P-C4' energy: -159.811 flat angles P-C4'-P energy: -76.319 tors. eta vs tors. theta energy: -165.704 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: 3 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1460.237122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.237122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.237122 (E_RNA) where: Base-Base interactions energy: -906.888 where: short stacking energy: -457.255 Base-Backbone interact. energy: -1.436 local terms energy: -551.912738 where: bonds (distance) C4'-P energy: -135.069 bonds (distance) P-C4' energy: -120.128 flat angles C4'-P-C4' energy: -127.887 flat angles P-C4'-P energy: -78.790 tors. eta vs tors. theta energy: -90.039 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: 10 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1142.957184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.957184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.957184 (E_RNA) where: Base-Base interactions energy: -693.721 where: short stacking energy: -328.963 Base-Backbone interact. energy: -4.254 local terms energy: -444.982386 where: bonds (distance) C4'-P energy: -132.263 bonds (distance) P-C4' energy: -125.913 flat angles C4'-P-C4' energy: -114.609 flat angles P-C4'-P energy: -50.251 tors. eta vs tors. theta energy: -21.947 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: 9, replica: 9 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -810.502878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.502878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.502878 (E_RNA) where: Base-Base interactions energy: -364.924 where: short stacking energy: -216.732 Base-Backbone interact. energy: 6.010 local terms energy: -451.589149 where: bonds (distance) C4'-P energy: -139.487 bonds (distance) P-C4' energy: -139.834 flat angles C4'-P-C4' energy: -104.725 flat angles P-C4'-P energy: -71.091 tors. eta vs tors. theta energy: 3.548 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: 7 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -736.716342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.716342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.716342 (E_RNA) where: Base-Base interactions energy: -321.186 where: short stacking energy: -183.782 Base-Backbone interact. energy: -3.098 local terms energy: -412.432551 where: bonds (distance) C4'-P energy: -144.636 bonds (distance) P-C4' energy: -133.883 flat angles C4'-P-C4' energy: -106.094 flat angles P-C4'-P energy: -55.334 tors. eta vs tors. theta energy: 27.513 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: 1, replica: 8 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -2714.350283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.350283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.350283 (E_RNA) where: Base-Base interactions energy: -1879.498 where: short stacking energy: -733.271 Base-Backbone interact. energy: -5.173 local terms energy: -829.679599 where: bonds (distance) C4'-P energy: -147.424 bonds (distance) P-C4' energy: -168.232 flat angles C4'-P-C4' energy: -176.656 flat angles P-C4'-P energy: -120.510 tors. eta vs tors. theta energy: -216.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -2578.989645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.989645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.989645 (E_RNA) where: Base-Base interactions energy: -1735.333 where: short stacking energy: -717.788 Base-Backbone interact. energy: -3.605 local terms energy: -840.051254 where: bonds (distance) C4'-P energy: -169.872 bonds (distance) P-C4' energy: -160.759 flat angles C4'-P-C4' energy: -190.956 flat angles P-C4'-P energy: -114.655 tors. eta vs tors. theta energy: -203.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2501.763649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.763649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.763649 (E_RNA) where: Base-Base interactions energy: -1748.824 where: short stacking energy: -703.966 Base-Backbone interact. energy: -3.277 local terms energy: -749.663280 where: bonds (distance) C4'-P energy: -137.479 bonds (distance) P-C4' energy: -160.047 flat angles C4'-P-C4' energy: -165.413 flat angles P-C4'-P energy: -108.654 tors. eta vs tors. theta energy: -178.070 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: 233 Temperature: 1.050000 Total energy: -2285.616675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.616675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.616675 (E_RNA) where: Base-Base interactions energy: -1558.890 where: short stacking energy: -668.655 Base-Backbone interact. energy: -2.234 local terms energy: -724.492562 where: bonds (distance) C4'-P energy: -168.199 bonds (distance) P-C4' energy: -126.945 flat angles C4'-P-C4' energy: -152.933 flat angles P-C4'-P energy: -92.414 tors. eta vs tors. theta energy: -184.002 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: 6 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -2105.437754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.437754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.437754 (E_RNA) where: Base-Base interactions energy: -1401.530 where: short stacking energy: -589.558 Base-Backbone interact. energy: -4.483 local terms energy: -699.425012 where: bonds (distance) C4'-P energy: -144.718 bonds (distance) P-C4' energy: -143.091 flat angles C4'-P-C4' energy: -154.601 flat angles P-C4'-P energy: -101.240 tors. eta vs tors. theta energy: -155.774 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: 233 Temperature: 1.150000 Total energy: -1909.266670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.266670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.266670 (E_RNA) where: Base-Base interactions energy: -1219.564 where: short stacking energy: -559.422 Base-Backbone interact. energy: -3.090 local terms energy: -686.611884 where: bonds (distance) C4'-P energy: -139.065 bonds (distance) P-C4' energy: -150.520 flat angles C4'-P-C4' energy: -149.394 flat angles P-C4'-P energy: -98.436 tors. eta vs tors. theta energy: -149.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1425.901901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.901901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.901901 (E_RNA) where: Base-Base interactions energy: -838.702 where: short stacking energy: -416.657 Base-Backbone interact. energy: -1.072 local terms energy: -586.127624 where: bonds (distance) C4'-P energy: -140.825 bonds (distance) P-C4' energy: -135.548 flat angles C4'-P-C4' energy: -150.581 flat angles P-C4'-P energy: -80.585 tors. eta vs tors. theta energy: -78.589 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: 10 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1238.025302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.025302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.025302 (E_RNA) where: Base-Base interactions energy: -716.781 where: short stacking energy: -335.758 Base-Backbone interact. energy: 5.213 local terms energy: -526.457465 where: bonds (distance) C4'-P energy: -146.651 bonds (distance) P-C4' energy: -138.070 flat angles C4'-P-C4' energy: -138.625 flat angles P-C4'-P energy: -51.253 tors. eta vs tors. theta energy: -51.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -840.341381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.341381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.341381 (E_RNA) where: Base-Base interactions energy: -418.290 where: short stacking energy: -233.457 Base-Backbone interact. energy: 5.164 local terms energy: -427.214957 where: bonds (distance) C4'-P energy: -135.718 bonds (distance) P-C4' energy: -124.698 flat angles C4'-P-C4' energy: -85.364 flat angles P-C4'-P energy: -78.666 tors. eta vs tors. theta energy: -2.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -765.340642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.340642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.340642 (E_RNA) where: Base-Base interactions energy: -351.234 where: short stacking energy: -203.027 Base-Backbone interact. energy: -0.657 local terms energy: -413.448707 where: bonds (distance) C4'-P energy: -126.211 bonds (distance) P-C4' energy: -133.827 flat angles C4'-P-C4' energy: -117.820 flat angles P-C4'-P energy: -58.526 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: 234 Temperature: 0.900000 Total energy: -2675.949591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.949591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.949591 (E_RNA) where: Base-Base interactions energy: -1850.246 where: short stacking energy: -787.671 Base-Backbone interact. energy: -4.332 local terms energy: -821.371853 where: bonds (distance) C4'-P energy: -155.824 bonds (distance) P-C4' energy: -152.588 flat angles C4'-P-C4' energy: -174.423 flat angles P-C4'-P energy: -117.720 tors. eta vs tors. theta energy: -220.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -2542.820487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.820487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.820487 (E_RNA) where: Base-Base interactions energy: -1722.607 where: short stacking energy: -709.586 Base-Backbone interact. energy: 0.703 local terms energy: -820.916343 where: bonds (distance) C4'-P energy: -139.152 bonds (distance) P-C4' energy: -168.548 flat angles C4'-P-C4' energy: -181.440 flat angles P-C4'-P energy: -124.954 tors. eta vs tors. theta energy: -206.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -2522.772652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.772652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.772652 (E_RNA) where: Base-Base interactions energy: -1758.045 where: short stacking energy: -688.336 Base-Backbone interact. energy: -0.924 local terms energy: -763.803545 where: bonds (distance) C4'-P energy: -150.725 bonds (distance) P-C4' energy: -150.386 flat angles C4'-P-C4' energy: -164.651 flat angles P-C4'-P energy: -108.537 tors. eta vs tors. theta energy: -189.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -2252.735797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.735797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.735797 (E_RNA) where: Base-Base interactions energy: -1495.209 where: short stacking energy: -658.058 Base-Backbone interact. energy: -4.711 local terms energy: -752.815460 where: bonds (distance) C4'-P energy: -149.087 bonds (distance) P-C4' energy: -159.265 flat angles C4'-P-C4' energy: -147.086 flat angles P-C4'-P energy: -116.798 tors. eta vs tors. theta energy: -180.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -2061.181753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.181753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.181753 (E_RNA) where: Base-Base interactions energy: -1375.302 where: short stacking energy: -565.792 Base-Backbone interact. energy: 0.629 local terms energy: -686.509344 where: bonds (distance) C4'-P energy: -129.907 bonds (distance) P-C4' energy: -155.380 flat angles C4'-P-C4' energy: -156.352 flat angles P-C4'-P energy: -77.037 tors. eta vs tors. theta energy: -167.833 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: 6, replica: 5 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -1910.538495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.538495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.538495 (E_RNA) where: Base-Base interactions energy: -1209.017 where: short stacking energy: -545.755 Base-Backbone interact. energy: 2.478 local terms energy: -703.999994 where: bonds (distance) C4'-P energy: -138.900 bonds (distance) P-C4' energy: -169.771 flat angles C4'-P-C4' energy: -150.819 flat angles P-C4'-P energy: -100.699 tors. eta vs tors. theta energy: -143.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1411.159125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.159125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.159125 (E_RNA) where: Base-Base interactions energy: -824.475 where: short stacking energy: -391.285 Base-Backbone interact. energy: 0.132 local terms energy: -586.816154 where: bonds (distance) C4'-P energy: -134.577 bonds (distance) P-C4' energy: -150.983 flat angles C4'-P-C4' energy: -150.280 flat angles P-C4'-P energy: -88.226 tors. eta vs tors. theta energy: -62.751 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: 8, replica: 3 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1344.858044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.858044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.858044 (E_RNA) where: Base-Base interactions energy: -780.329 where: short stacking energy: -386.584 Base-Backbone interact. energy: 0.159 local terms energy: -564.688164 where: bonds (distance) C4'-P energy: -136.313 bonds (distance) P-C4' energy: -137.696 flat angles C4'-P-C4' energy: -140.084 flat angles P-C4'-P energy: -81.586 tors. eta vs tors. theta energy: -69.010 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: 9, replica: 7 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -793.175269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.175269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.175269 (E_RNA) where: Base-Base interactions energy: -394.539 where: short stacking energy: -235.438 Base-Backbone interact. energy: -3.188 local terms energy: -395.448062 where: bonds (distance) C4'-P energy: -113.976 bonds (distance) P-C4' energy: -136.925 flat angles C4'-P-C4' energy: -113.231 flat angles P-C4'-P energy: -54.175 tors. eta vs tors. theta energy: 22.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -797.136377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.136377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.136377 (E_RNA) where: Base-Base interactions energy: -391.420 where: short stacking energy: -229.069 Base-Backbone interact. energy: -2.734 local terms energy: -402.981907 where: bonds (distance) C4'-P energy: -136.155 bonds (distance) P-C4' energy: -110.651 flat angles C4'-P-C4' energy: -113.344 flat angles P-C4'-P energy: -52.980 tors. eta vs tors. theta energy: 10.149 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: 1, replica: 8 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -2686.640963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.640963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.640963 (E_RNA) where: Base-Base interactions energy: -1817.797 where: short stacking energy: -764.233 Base-Backbone interact. energy: -5.215 local terms energy: -863.628997 where: bonds (distance) C4'-P energy: -155.665 bonds (distance) P-C4' energy: -173.571 flat angles C4'-P-C4' energy: -182.917 flat angles P-C4'-P energy: -123.800 tors. eta vs tors. theta energy: -227.676 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: 2, replica: 2 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -2611.853522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.853522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.853522 (E_RNA) where: Base-Base interactions energy: -1807.864 where: short stacking energy: -769.896 Base-Backbone interact. energy: 3.146 local terms energy: -807.135377 where: bonds (distance) C4'-P energy: -146.251 bonds (distance) P-C4' energy: -169.012 flat angles C4'-P-C4' energy: -177.215 flat angles P-C4'-P energy: -107.845 tors. eta vs tors. theta energy: -206.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -2494.818438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.818438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.818438 (E_RNA) where: Base-Base interactions energy: -1703.127 where: short stacking energy: -706.971 Base-Backbone interact. energy: -0.300 local terms energy: -791.391730 where: bonds (distance) C4'-P energy: -156.908 bonds (distance) P-C4' energy: -163.233 flat angles C4'-P-C4' energy: -174.712 flat angles P-C4'-P energy: -107.839 tors. eta vs tors. theta energy: -188.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -2281.265197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.265197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.265197 (E_RNA) where: Base-Base interactions energy: -1570.787 where: short stacking energy: -657.861 Base-Backbone interact. energy: -3.060 local terms energy: -707.417482 where: bonds (distance) C4'-P energy: -134.257 bonds (distance) P-C4' energy: -127.783 flat angles C4'-P-C4' energy: -157.955 flat angles P-C4'-P energy: -99.257 tors. eta vs tors. theta energy: -188.166 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: 5, replica: 6 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -2013.134760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.134760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.134760 (E_RNA) where: Base-Base interactions energy: -1304.047 where: short stacking energy: -584.672 Base-Backbone interact. energy: 0.498 local terms energy: -709.586450 where: bonds (distance) C4'-P energy: -144.661 bonds (distance) P-C4' energy: -166.109 flat angles C4'-P-C4' energy: -149.166 flat angles P-C4'-P energy: -101.095 tors. eta vs tors. theta energy: -148.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -1937.811633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.811633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.811633 (E_RNA) where: Base-Base interactions energy: -1240.688 where: short stacking energy: -558.252 Base-Backbone interact. energy: -1.454 local terms energy: -695.669086 where: bonds (distance) C4'-P energy: -136.713 bonds (distance) P-C4' energy: -140.134 flat angles C4'-P-C4' energy: -159.822 flat angles P-C4'-P energy: -103.133 tors. eta vs tors. theta energy: -155.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1380.515120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.515120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.515120 (E_RNA) where: Base-Base interactions energy: -832.666 where: short stacking energy: -385.868 Base-Backbone interact. energy: 6.011 local terms energy: -553.860023 where: bonds (distance) C4'-P energy: -131.677 bonds (distance) P-C4' energy: -147.252 flat angles C4'-P-C4' energy: -139.659 flat angles P-C4'-P energy: -74.810 tors. eta vs tors. theta energy: -60.461 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: 3 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1309.583749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.583749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.583749 (E_RNA) where: Base-Base interactions energy: -788.509 where: short stacking energy: -383.164 Base-Backbone interact. energy: 8.928 local terms energy: -530.002609 where: bonds (distance) C4'-P energy: -148.253 bonds (distance) P-C4' energy: -123.976 flat angles C4'-P-C4' energy: -133.999 flat angles P-C4'-P energy: -67.270 tors. eta vs tors. theta energy: -56.505 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: 7 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -809.635549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.635549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.635549 (E_RNA) where: Base-Base interactions energy: -386.280 where: short stacking energy: -220.867 Base-Backbone interact. energy: -1.809 local terms energy: -421.547301 where: bonds (distance) C4'-P energy: -130.429 bonds (distance) P-C4' energy: -110.320 flat angles C4'-P-C4' energy: -127.761 flat angles P-C4'-P energy: -91.198 tors. eta vs tors. theta energy: 38.161 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: 9 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -716.602508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.602508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.602508 (E_RNA) where: Base-Base interactions energy: -315.756 where: short stacking energy: -223.356 Base-Backbone interact. energy: 2.162 local terms energy: -403.008241 where: bonds (distance) C4'-P energy: -111.303 bonds (distance) P-C4' energy: -141.085 flat angles C4'-P-C4' energy: -103.885 flat angles P-C4'-P energy: -56.006 tors. eta vs tors. theta energy: 9.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -2674.554670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.554670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.554670 (E_RNA) where: Base-Base interactions energy: -1834.170 where: short stacking energy: -768.032 Base-Backbone interact. energy: -2.126 local terms energy: -838.259539 where: bonds (distance) C4'-P energy: -146.827 bonds (distance) P-C4' energy: -175.294 flat angles C4'-P-C4' energy: -191.845 flat angles P-C4'-P energy: -106.518 tors. eta vs tors. theta energy: -217.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -2605.986938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.986938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.986938 (E_RNA) where: Base-Base interactions energy: -1794.798 where: short stacking energy: -746.602 Base-Backbone interact. energy: -1.764 local terms energy: -809.424686 where: bonds (distance) C4'-P energy: -144.538 bonds (distance) P-C4' energy: -161.380 flat angles C4'-P-C4' energy: -186.287 flat angles P-C4'-P energy: -113.262 tors. eta vs tors. theta energy: -203.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -2466.660835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.660835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.660835 (E_RNA) where: Base-Base interactions energy: -1669.673 where: short stacking energy: -676.761 Base-Backbone interact. energy: 0.439 local terms energy: -797.427032 where: bonds (distance) C4'-P energy: -148.734 bonds (distance) P-C4' energy: -170.841 flat angles C4'-P-C4' energy: -178.417 flat angles P-C4'-P energy: -113.676 tors. eta vs tors. theta energy: -185.759 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: 236 Temperature: 1.050000 Total energy: -2272.244069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.244069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.244069 (E_RNA) where: Base-Base interactions energy: -1507.873 where: short stacking energy: -624.498 Base-Backbone interact. energy: 0.520 local terms energy: -764.891388 where: bonds (distance) C4'-P energy: -146.643 bonds (distance) P-C4' energy: -167.827 flat angles C4'-P-C4' energy: -171.951 flat angles P-C4'-P energy: -104.825 tors. eta vs tors. theta energy: -173.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -2006.643149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.643149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.643149 (E_RNA) where: Base-Base interactions energy: -1304.039 where: short stacking energy: -564.524 Base-Backbone interact. energy: -1.290 local terms energy: -701.314462 where: bonds (distance) C4'-P energy: -142.349 bonds (distance) P-C4' energy: -155.582 flat angles C4'-P-C4' energy: -166.246 flat angles P-C4'-P energy: -99.706 tors. eta vs tors. theta energy: -137.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -2008.341472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.341472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.341472 (E_RNA) where: Base-Base interactions energy: -1347.800 where: short stacking energy: -610.713 Base-Backbone interact. energy: 0.184 local terms energy: -660.725410 where: bonds (distance) C4'-P energy: -127.823 bonds (distance) P-C4' energy: -142.740 flat angles C4'-P-C4' energy: -160.232 flat angles P-C4'-P energy: -73.754 tors. eta vs tors. theta energy: -156.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1379.384926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.384926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.384926 (E_RNA) where: Base-Base interactions energy: -825.668 where: short stacking energy: -428.397 Base-Backbone interact. energy: -2.321 local terms energy: -551.396237 where: bonds (distance) C4'-P energy: -150.276 bonds (distance) P-C4' energy: -135.862 flat angles C4'-P-C4' energy: -110.977 flat angles P-C4'-P energy: -84.182 tors. eta vs tors. theta energy: -70.099 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: 8, replica: 3 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1254.750187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.750187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.750187 (E_RNA) where: Base-Base interactions energy: -727.912 where: short stacking energy: -336.512 Base-Backbone interact. energy: 8.559 local terms energy: -535.397304 where: bonds (distance) C4'-P energy: -143.293 bonds (distance) P-C4' energy: -140.608 flat angles C4'-P-C4' energy: -133.422 flat angles P-C4'-P energy: -71.516 tors. eta vs tors. theta energy: -46.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -749.105138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.105138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.105138 (E_RNA) where: Base-Base interactions energy: -342.026 where: short stacking energy: -242.463 Base-Backbone interact. energy: -1.160 local terms energy: -405.919229 where: bonds (distance) C4'-P energy: -135.089 bonds (distance) P-C4' energy: -125.312 flat angles C4'-P-C4' energy: -100.100 flat angles P-C4'-P energy: -62.772 tors. eta vs tors. theta energy: 17.354 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: 7 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -728.854422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.854422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.854422 (E_RNA) where: Base-Base interactions energy: -302.355 where: short stacking energy: -204.490 Base-Backbone interact. energy: 1.099 local terms energy: -427.598304 where: bonds (distance) C4'-P energy: -126.902 bonds (distance) P-C4' energy: -142.603 flat angles C4'-P-C4' energy: -113.140 flat angles P-C4'-P energy: -62.768 tors. eta vs tors. theta energy: 17.814 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: 1, replica: 8 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -2698.729520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.729520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.729520 (E_RNA) where: Base-Base interactions energy: -1849.033 where: short stacking energy: -755.999 Base-Backbone interact. energy: -7.176 local terms energy: -842.520546 where: bonds (distance) C4'-P energy: -160.364 bonds (distance) P-C4' energy: -165.005 flat angles C4'-P-C4' energy: -184.109 flat angles P-C4'-P energy: -111.623 tors. eta vs tors. theta energy: -221.419 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: 2 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2582.171979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.171979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.171979 (E_RNA) where: Base-Base interactions energy: -1724.149 where: short stacking energy: -722.383 Base-Backbone interact. energy: 3.117 local terms energy: -861.139935 where: bonds (distance) C4'-P energy: -173.453 bonds (distance) P-C4' energy: -159.609 flat angles C4'-P-C4' energy: -190.846 flat angles P-C4'-P energy: -122.919 tors. eta vs tors. theta energy: -214.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2441.872154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.872154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.872154 (E_RNA) where: Base-Base interactions energy: -1683.532 where: short stacking energy: -677.135 Base-Backbone interact. energy: -0.712 local terms energy: -757.627698 where: bonds (distance) C4'-P energy: -143.360 bonds (distance) P-C4' energy: -155.262 flat angles C4'-P-C4' energy: -180.718 flat angles P-C4'-P energy: -94.485 tors. eta vs tors. theta energy: -183.803 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: 4 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -2295.944826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.944826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.944826 (E_RNA) where: Base-Base interactions energy: -1549.500 where: short stacking energy: -687.397 Base-Backbone interact. energy: -0.823 local terms energy: -745.622210 where: bonds (distance) C4'-P energy: -124.948 bonds (distance) P-C4' energy: -159.635 flat angles C4'-P-C4' energy: -168.190 flat angles P-C4'-P energy: -106.263 tors. eta vs tors. theta energy: -186.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -2065.603467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.603467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.603467 (E_RNA) where: Base-Base interactions energy: -1371.396 where: short stacking energy: -616.552 Base-Backbone interact. energy: 1.578 local terms energy: -695.785629 where: bonds (distance) C4'-P energy: -144.594 bonds (distance) P-C4' energy: -145.328 flat angles C4'-P-C4' energy: -159.412 flat angles P-C4'-P energy: -91.583 tors. eta vs tors. theta energy: -154.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -1953.578900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.578900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.578900 (E_RNA) where: Base-Base interactions energy: -1275.268 where: short stacking energy: -553.223 Base-Backbone interact. energy: 0.401 local terms energy: -678.712592 where: bonds (distance) C4'-P energy: -141.840 bonds (distance) P-C4' energy: -152.857 flat angles C4'-P-C4' energy: -148.005 flat angles P-C4'-P energy: -105.311 tors. eta vs tors. theta energy: -130.700 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: 7, replica: 10 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1410.980259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.980259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.980259 (E_RNA) where: Base-Base interactions energy: -792.360 where: short stacking energy: -408.563 Base-Backbone interact. energy: -0.735 local terms energy: -617.885194 where: bonds (distance) C4'-P energy: -144.399 bonds (distance) P-C4' energy: -147.080 flat angles C4'-P-C4' energy: -147.885 flat angles P-C4'-P energy: -95.555 tors. eta vs tors. theta energy: -82.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1258.237183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.237183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.237183 (E_RNA) where: Base-Base interactions energy: -737.813 where: short stacking energy: -376.880 Base-Backbone interact. energy: -3.839 local terms energy: -516.585759 where: bonds (distance) C4'-P energy: -109.071 bonds (distance) P-C4' energy: -146.365 flat angles C4'-P-C4' energy: -123.202 flat angles P-C4'-P energy: -83.468 tors. eta vs tors. theta energy: -54.480 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: 9 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -737.783365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.783365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.783365 (E_RNA) where: Base-Base interactions energy: -317.825 where: short stacking energy: -225.414 Base-Backbone interact. energy: -3.098 local terms energy: -416.859903 where: bonds (distance) C4'-P energy: -126.333 bonds (distance) P-C4' energy: -134.808 flat angles C4'-P-C4' energy: -101.826 flat angles P-C4'-P energy: -61.165 tors. eta vs tors. theta energy: 7.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -673.218827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.218827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.218827 (E_RNA) where: Base-Base interactions energy: -301.278 where: short stacking energy: -198.633 Base-Backbone interact. energy: 4.704 local terms energy: -376.645628 where: bonds (distance) C4'-P energy: -108.672 bonds (distance) P-C4' energy: -107.745 flat angles C4'-P-C4' energy: -121.044 flat angles P-C4'-P energy: -65.487 tors. eta vs tors. theta energy: 26.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -2687.080063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.080063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.080063 (E_RNA) where: Base-Base interactions energy: -1837.145 where: short stacking energy: -749.971 Base-Backbone interact. energy: -3.093 local terms energy: -846.841901 where: bonds (distance) C4'-P energy: -166.185 bonds (distance) P-C4' energy: -151.271 flat angles C4'-P-C4' energy: -186.957 flat angles P-C4'-P energy: -110.069 tors. eta vs tors. theta energy: -232.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2576.421834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.421834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.421834 (E_RNA) where: Base-Base interactions energy: -1756.907 where: short stacking energy: -748.718 Base-Backbone interact. energy: -4.526 local terms energy: -814.989198 where: bonds (distance) C4'-P energy: -159.187 bonds (distance) P-C4' energy: -153.745 flat angles C4'-P-C4' energy: -170.490 flat angles P-C4'-P energy: -117.632 tors. eta vs tors. theta energy: -213.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2487.089285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.089285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.089285 (E_RNA) where: Base-Base interactions energy: -1722.497 where: short stacking energy: -697.462 Base-Backbone interact. energy: -1.913 local terms energy: -762.679942 where: bonds (distance) C4'-P energy: -127.868 bonds (distance) P-C4' energy: -157.590 flat angles C4'-P-C4' energy: -188.078 flat angles P-C4'-P energy: -104.411 tors. eta vs tors. theta energy: -184.733 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: 4, replica: 4 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -2315.642493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.642493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.642493 (E_RNA) where: Base-Base interactions energy: -1543.391 where: short stacking energy: -675.735 Base-Backbone interact. energy: -0.145 local terms energy: -772.105948 where: bonds (distance) C4'-P energy: -148.387 bonds (distance) P-C4' energy: -154.079 flat angles C4'-P-C4' energy: -167.533 flat angles P-C4'-P energy: -117.526 tors. eta vs tors. theta energy: -184.581 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: 5, replica: 6 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -2051.554176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.554176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.554176 (E_RNA) where: Base-Base interactions energy: -1361.296 where: short stacking energy: -580.636 Base-Backbone interact. energy: 5.400 local terms energy: -695.658216 where: bonds (distance) C4'-P energy: -143.600 bonds (distance) P-C4' energy: -155.393 flat angles C4'-P-C4' energy: -144.386 flat angles P-C4'-P energy: -105.305 tors. eta vs tors. theta energy: -146.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -1958.176518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.176518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.176518 (E_RNA) where: Base-Base interactions energy: -1252.295 where: short stacking energy: -566.463 Base-Backbone interact. energy: 2.005 local terms energy: -707.886931 where: bonds (distance) C4'-P energy: -146.533 bonds (distance) P-C4' energy: -152.827 flat angles C4'-P-C4' energy: -160.275 flat angles P-C4'-P energy: -85.990 tors. eta vs tors. theta energy: -162.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1420.088246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.088246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.088246 (E_RNA) where: Base-Base interactions energy: -844.400 where: short stacking energy: -378.122 Base-Backbone interact. energy: -0.495 local terms energy: -575.192646 where: bonds (distance) C4'-P energy: -126.007 bonds (distance) P-C4' energy: -152.540 flat angles C4'-P-C4' energy: -135.765 flat angles P-C4'-P energy: -92.961 tors. eta vs tors. theta energy: -67.919 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: 8, replica: 3 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1270.842658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.842658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.842658 (E_RNA) where: Base-Base interactions energy: -734.950 where: short stacking energy: -339.398 Base-Backbone interact. energy: 5.665 local terms energy: -541.558272 where: bonds (distance) C4'-P energy: -121.356 bonds (distance) P-C4' energy: -154.531 flat angles C4'-P-C4' energy: -127.338 flat angles P-C4'-P energy: -90.751 tors. eta vs tors. theta energy: -47.582 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: 7 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -712.245094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.245094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.245094 (E_RNA) where: Base-Base interactions energy: -310.021 where: short stacking energy: -227.546 Base-Backbone interact. energy: 5.157 local terms energy: -407.381187 where: bonds (distance) C4'-P energy: -120.631 bonds (distance) P-C4' energy: -129.735 flat angles C4'-P-C4' energy: -113.339 flat angles P-C4'-P energy: -51.996 tors. eta vs tors. theta energy: 8.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -675.055735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.055735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.055735 (E_RNA) where: Base-Base interactions energy: -269.988 where: short stacking energy: -173.910 Base-Backbone interact. energy: -0.396 local terms energy: -404.672059 where: bonds (distance) C4'-P energy: -145.803 bonds (distance) P-C4' energy: -156.006 flat angles C4'-P-C4' energy: -96.409 flat angles P-C4'-P energy: -35.456 tors. eta vs tors. theta energy: 29.002 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: 8 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -2701.136106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.136106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.136106 (E_RNA) where: Base-Base interactions energy: -1842.220 where: short stacking energy: -778.156 Base-Backbone interact. energy: -5.192 local terms energy: -853.724141 where: bonds (distance) C4'-P energy: -153.068 bonds (distance) P-C4' energy: -171.593 flat angles C4'-P-C4' energy: -184.519 flat angles P-C4'-P energy: -111.946 tors. eta vs tors. theta energy: -232.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -2590.852908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.852908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.852908 (E_RNA) where: Base-Base interactions energy: -1768.693 where: short stacking energy: -766.849 Base-Backbone interact. energy: -2.519 local terms energy: -819.641106 where: bonds (distance) C4'-P energy: -154.860 bonds (distance) P-C4' energy: -165.756 flat angles C4'-P-C4' energy: -171.436 flat angles P-C4'-P energy: -119.142 tors. eta vs tors. theta energy: -208.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2485.510486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.510486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.510486 (E_RNA) where: Base-Base interactions energy: -1717.790 where: short stacking energy: -701.799 Base-Backbone interact. energy: 0.402 local terms energy: -768.123366 where: bonds (distance) C4'-P energy: -148.382 bonds (distance) P-C4' energy: -145.263 flat angles C4'-P-C4' energy: -186.150 flat angles P-C4'-P energy: -106.929 tors. eta vs tors. theta energy: -181.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -2330.805149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.805149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.805149 (E_RNA) where: Base-Base interactions energy: -1571.370 where: short stacking energy: -659.166 Base-Backbone interact. energy: 0.275 local terms energy: -759.709867 where: bonds (distance) C4'-P energy: -147.416 bonds (distance) P-C4' energy: -130.450 flat angles C4'-P-C4' energy: -165.930 flat angles P-C4'-P energy: -120.673 tors. eta vs tors. theta energy: -195.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -2078.094989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.094989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.094989 (E_RNA) where: Base-Base interactions energy: -1440.072 where: short stacking energy: -606.197 Base-Backbone interact. energy: 3.018 local terms energy: -641.041218 where: bonds (distance) C4'-P energy: -140.294 bonds (distance) P-C4' energy: -144.305 flat angles C4'-P-C4' energy: -124.357 flat angles P-C4'-P energy: -89.640 tors. eta vs tors. theta energy: -142.445 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: 5 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -1954.764199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.764199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.764199 (E_RNA) where: Base-Base interactions energy: -1250.736 where: short stacking energy: -578.920 Base-Backbone interact. energy: -3.579 local terms energy: -700.448996 where: bonds (distance) C4'-P energy: -128.216 bonds (distance) P-C4' energy: -155.858 flat angles C4'-P-C4' energy: -152.004 flat angles P-C4'-P energy: -104.118 tors. eta vs tors. theta energy: -160.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1376.895951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.895951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.895951 (E_RNA) where: Base-Base interactions energy: -827.172 where: short stacking energy: -403.920 Base-Backbone interact. energy: 4.838 local terms energy: -554.561961 where: bonds (distance) C4'-P energy: -149.438 bonds (distance) P-C4' energy: -138.191 flat angles C4'-P-C4' energy: -119.760 flat angles P-C4'-P energy: -83.510 tors. eta vs tors. theta energy: -63.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1304.101113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.101113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.101113 (E_RNA) where: Base-Base interactions energy: -761.030 where: short stacking energy: -367.989 Base-Backbone interact. energy: 1.695 local terms energy: -544.766030 where: bonds (distance) C4'-P energy: -126.662 bonds (distance) P-C4' energy: -144.888 flat angles C4'-P-C4' energy: -133.051 flat angles P-C4'-P energy: -85.666 tors. eta vs tors. theta energy: -54.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -676.486320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.486320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.486320 (E_RNA) where: Base-Base interactions energy: -243.224 where: short stacking energy: -202.012 Base-Backbone interact. energy: 5.131 local terms energy: -438.393249 where: bonds (distance) C4'-P energy: -130.860 bonds (distance) P-C4' energy: -129.220 flat angles C4'-P-C4' energy: -118.875 flat angles P-C4'-P energy: -69.258 tors. eta vs tors. theta energy: 9.819 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: 10, replica: 9 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -699.088218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.088218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.088218 (E_RNA) where: Base-Base interactions energy: -262.620 where: short stacking energy: -196.245 Base-Backbone interact. energy: -0.071 local terms energy: -436.397183 where: bonds (distance) C4'-P energy: -130.379 bonds (distance) P-C4' energy: -143.554 flat angles C4'-P-C4' energy: -110.620 flat angles P-C4'-P energy: -63.960 tors. eta vs tors. theta energy: 12.116 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: 240 Temperature: 0.900000 Total energy: -2690.859570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.859570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.859570 (E_RNA) where: Base-Base interactions energy: -1823.514 where: short stacking energy: -747.424 Base-Backbone interact. energy: -6.489 local terms energy: -860.857340 where: bonds (distance) C4'-P energy: -170.260 bonds (distance) P-C4' energy: -153.795 flat angles C4'-P-C4' energy: -184.936 flat angles P-C4'-P energy: -121.848 tors. eta vs tors. theta energy: -230.019 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: 2 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -2574.824785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.824785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.824785 (E_RNA) where: Base-Base interactions energy: -1759.420 where: short stacking energy: -725.088 Base-Backbone interact. energy: -2.442 local terms energy: -812.961880 where: bonds (distance) C4'-P energy: -163.348 bonds (distance) P-C4' energy: -148.517 flat angles C4'-P-C4' energy: -179.492 flat angles P-C4'-P energy: -119.466 tors. eta vs tors. theta energy: -202.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2462.622648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.622648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.622648 (E_RNA) where: Base-Base interactions energy: -1710.169 where: short stacking energy: -705.331 Base-Backbone interact. energy: 1.330 local terms energy: -753.784287 where: bonds (distance) C4'-P energy: -162.985 bonds (distance) P-C4' energy: -141.394 flat angles C4'-P-C4' energy: -171.302 flat angles P-C4'-P energy: -92.205 tors. eta vs tors. theta energy: -185.897 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: 4, replica: 4 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -2222.905763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.905763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.905763 (E_RNA) where: Base-Base interactions energy: -1490.690 where: short stacking energy: -605.904 Base-Backbone interact. energy: -2.328 local terms energy: -729.887827 where: bonds (distance) C4'-P energy: -143.371 bonds (distance) P-C4' energy: -148.305 flat angles C4'-P-C4' energy: -170.309 flat angles P-C4'-P energy: -110.987 tors. eta vs tors. theta energy: -156.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -2069.005885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.005885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.005885 (E_RNA) where: Base-Base interactions energy: -1349.057 where: short stacking energy: -576.674 Base-Backbone interact. energy: -3.350 local terms energy: -716.599353 where: bonds (distance) C4'-P energy: -130.721 bonds (distance) P-C4' energy: -166.606 flat angles C4'-P-C4' energy: -172.007 flat angles P-C4'-P energy: -96.940 tors. eta vs tors. theta energy: -150.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1989.904668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.904668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.904668 (E_RNA) where: Base-Base interactions energy: -1291.001 where: short stacking energy: -573.738 Base-Backbone interact. energy: -0.069 local terms energy: -698.834194 where: bonds (distance) C4'-P energy: -146.742 bonds (distance) P-C4' energy: -148.475 flat angles C4'-P-C4' energy: -153.552 flat angles P-C4'-P energy: -92.363 tors. eta vs tors. theta energy: -157.702 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: 10 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1477.861340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.861340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.861340 (E_RNA) where: Base-Base interactions energy: -882.437 where: short stacking energy: -420.635 Base-Backbone interact. energy: -3.175 local terms energy: -592.248840 where: bonds (distance) C4'-P energy: -130.688 bonds (distance) P-C4' energy: -164.133 flat angles C4'-P-C4' energy: -131.106 flat angles P-C4'-P energy: -81.684 tors. eta vs tors. theta energy: -84.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1296.714043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.714043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.714043 (E_RNA) where: Base-Base interactions energy: -774.446 where: short stacking energy: -400.364 Base-Backbone interact. energy: -2.826 local terms energy: -519.441980 where: bonds (distance) C4'-P energy: -123.454 bonds (distance) P-C4' energy: -113.310 flat angles C4'-P-C4' energy: -140.701 flat angles P-C4'-P energy: -76.818 tors. eta vs tors. theta energy: -65.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -803.641104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.641104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.641104 (E_RNA) where: Base-Base interactions energy: -373.110 where: short stacking energy: -229.612 Base-Backbone interact. energy: -1.089 local terms energy: -429.441467 where: bonds (distance) C4'-P energy: -108.898 bonds (distance) P-C4' energy: -127.192 flat angles C4'-P-C4' energy: -135.607 flat angles P-C4'-P energy: -69.686 tors. eta vs tors. theta energy: 11.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -597.182931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.182931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.182931 (E_RNA) where: Base-Base interactions energy: -211.254 where: short stacking energy: -179.364 Base-Backbone interact. energy: 5.375 local terms energy: -391.304394 where: bonds (distance) C4'-P energy: -92.012 bonds (distance) P-C4' energy: -143.395 flat angles C4'-P-C4' energy: -91.535 flat angles P-C4'-P energy: -73.381 tors. eta vs tors. theta energy: 9.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -2699.607357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.607357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.607357 (E_RNA) where: Base-Base interactions energy: -1857.484 where: short stacking energy: -778.490 Base-Backbone interact. energy: 3.944 local terms energy: -846.067001 where: bonds (distance) C4'-P energy: -162.230 bonds (distance) P-C4' energy: -158.720 flat angles C4'-P-C4' energy: -179.885 flat angles P-C4'-P energy: -110.899 tors. eta vs tors. theta energy: -234.333 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: 2 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -2560.468991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.468991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.468991 (E_RNA) where: Base-Base interactions energy: -1753.569 where: short stacking energy: -731.237 Base-Backbone interact. energy: -1.956 local terms energy: -804.944327 where: bonds (distance) C4'-P energy: -145.771 bonds (distance) P-C4' energy: -169.290 flat angles C4'-P-C4' energy: -173.364 flat angles P-C4'-P energy: -115.414 tors. eta vs tors. theta energy: -201.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2479.709659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.709659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.709659 (E_RNA) where: Base-Base interactions energy: -1702.298 where: short stacking energy: -711.298 Base-Backbone interact. energy: -5.425 local terms energy: -771.986860 where: bonds (distance) C4'-P energy: -150.417 bonds (distance) P-C4' energy: -155.408 flat angles C4'-P-C4' energy: -177.236 flat angles P-C4'-P energy: -108.644 tors. eta vs tors. theta energy: -180.282 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: 4, replica: 4 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -2281.798017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.798017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.798017 (E_RNA) where: Base-Base interactions energy: -1509.206 where: short stacking energy: -643.721 Base-Backbone interact. energy: 0.862 local terms energy: -773.453809 where: bonds (distance) C4'-P energy: -150.646 bonds (distance) P-C4' energy: -167.760 flat angles C4'-P-C4' energy: -163.006 flat angles P-C4'-P energy: -108.115 tors. eta vs tors. theta energy: -183.927 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: 5, replica: 6 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -2102.239347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.239347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.239347 (E_RNA) where: Base-Base interactions energy: -1388.143 where: short stacking energy: -632.903 Base-Backbone interact. energy: -0.440 local terms energy: -713.657193 where: bonds (distance) C4'-P energy: -132.042 bonds (distance) P-C4' energy: -163.467 flat angles C4'-P-C4' energy: -159.785 flat angles P-C4'-P energy: -89.144 tors. eta vs tors. theta energy: -169.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -2070.080080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.080080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.080080 (E_RNA) where: Base-Base interactions energy: -1361.307 where: short stacking energy: -633.349 Base-Backbone interact. energy: 0.174 local terms energy: -708.947600 where: bonds (distance) C4'-P energy: -147.959 bonds (distance) P-C4' energy: -134.590 flat angles C4'-P-C4' energy: -154.192 flat angles P-C4'-P energy: -101.754 tors. eta vs tors. theta energy: -170.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1509.316186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.316186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.316186 (E_RNA) where: Base-Base interactions energy: -927.690 where: short stacking energy: -405.598 Base-Backbone interact. energy: -1.960 local terms energy: -579.665563 where: bonds (distance) C4'-P energy: -139.490 bonds (distance) P-C4' energy: -150.142 flat angles C4'-P-C4' energy: -130.182 flat angles P-C4'-P energy: -73.990 tors. eta vs tors. theta energy: -85.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1323.716587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.716587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.716587 (E_RNA) where: Base-Base interactions energy: -764.531 where: short stacking energy: -392.392 Base-Backbone interact. energy: 7.365 local terms energy: -566.550612 where: bonds (distance) C4'-P energy: -133.244 bonds (distance) P-C4' energy: -146.600 flat angles C4'-P-C4' energy: -127.359 flat angles P-C4'-P energy: -96.059 tors. eta vs tors. theta energy: -63.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -781.397809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.397809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.397809 (E_RNA) where: Base-Base interactions energy: -346.716 where: short stacking energy: -205.603 Base-Backbone interact. energy: 1.379 local terms energy: -436.060158 where: bonds (distance) C4'-P energy: -115.662 bonds (distance) P-C4' energy: -140.467 flat angles C4'-P-C4' energy: -127.477 flat angles P-C4'-P energy: -54.169 tors. eta vs tors. theta energy: 1.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -589.476372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.476372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.476372 (E_RNA) where: Base-Base interactions energy: -213.021 where: short stacking energy: -164.202 Base-Backbone interact. energy: -0.271 local terms energy: -376.184494 where: bonds (distance) C4'-P energy: -117.497 bonds (distance) P-C4' energy: -101.764 flat angles C4'-P-C4' energy: -125.136 flat angles P-C4'-P energy: -74.160 tors. eta vs tors. theta energy: 42.373 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: 8 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -2684.691871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.691871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.691871 (E_RNA) where: Base-Base interactions energy: -1837.879 where: short stacking energy: -780.341 Base-Backbone interact. energy: -3.107 local terms energy: -843.706116 where: bonds (distance) C4'-P energy: -142.664 bonds (distance) P-C4' energy: -169.836 flat angles C4'-P-C4' energy: -188.379 flat angles P-C4'-P energy: -111.879 tors. eta vs tors. theta energy: -230.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -2580.259521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.259521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.259521 (E_RNA) where: Base-Base interactions energy: -1773.961 where: short stacking energy: -742.836 Base-Backbone interact. energy: -2.076 local terms energy: -804.222266 where: bonds (distance) C4'-P energy: -155.993 bonds (distance) P-C4' energy: -154.011 flat angles C4'-P-C4' energy: -164.824 flat angles P-C4'-P energy: -120.943 tors. eta vs tors. theta energy: -208.451 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: 1 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2466.776230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.776230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.776230 (E_RNA) where: Base-Base interactions energy: -1705.383 where: short stacking energy: -670.380 Base-Backbone interact. energy: -3.370 local terms energy: -758.023770 where: bonds (distance) C4'-P energy: -160.926 bonds (distance) P-C4' energy: -146.819 flat angles C4'-P-C4' energy: -157.411 flat angles P-C4'-P energy: -103.094 tors. eta vs tors. theta energy: -189.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -2239.938266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.938266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.938266 (E_RNA) where: Base-Base interactions energy: -1530.476 where: short stacking energy: -658.587 Base-Backbone interact. energy: -2.712 local terms energy: -706.750311 where: bonds (distance) C4'-P energy: -149.969 bonds (distance) P-C4' energy: -151.380 flat angles C4'-P-C4' energy: -159.799 flat angles P-C4'-P energy: -74.586 tors. eta vs tors. theta energy: -171.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -2134.254749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.254749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.254749 (E_RNA) where: Base-Base interactions energy: -1418.760 where: short stacking energy: -621.191 Base-Backbone interact. energy: 4.480 local terms energy: -719.975053 where: bonds (distance) C4'-P energy: -156.319 bonds (distance) P-C4' energy: -133.547 flat angles C4'-P-C4' energy: -152.075 flat angles P-C4'-P energy: -104.513 tors. eta vs tors. theta energy: -173.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -1918.857198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.857198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.857198 (E_RNA) where: Base-Base interactions energy: -1269.143 where: short stacking energy: -533.585 Base-Backbone interact. energy: -3.046 local terms energy: -646.668570 where: bonds (distance) C4'-P energy: -146.149 bonds (distance) P-C4' energy: -136.597 flat angles C4'-P-C4' energy: -141.511 flat angles P-C4'-P energy: -94.025 tors. eta vs tors. theta energy: -128.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1464.597506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.597506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.597506 (E_RNA) where: Base-Base interactions energy: -882.156 where: short stacking energy: -396.716 Base-Backbone interact. energy: -3.358 local terms energy: -579.083151 where: bonds (distance) C4'-P energy: -145.093 bonds (distance) P-C4' energy: -156.514 flat angles C4'-P-C4' energy: -144.997 flat angles P-C4'-P energy: -68.125 tors. eta vs tors. theta energy: -64.354 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: 3 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1272.079337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.079337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.079337 (E_RNA) where: Base-Base interactions energy: -738.927 where: short stacking energy: -369.108 Base-Backbone interact. energy: 0.349 local terms energy: -533.501605 where: bonds (distance) C4'-P energy: -118.189 bonds (distance) P-C4' energy: -148.904 flat angles C4'-P-C4' energy: -126.190 flat angles P-C4'-P energy: -88.612 tors. eta vs tors. theta energy: -51.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -880.396992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.396992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.396992 (E_RNA) where: Base-Base interactions energy: -437.948 where: short stacking energy: -231.525 Base-Backbone interact. energy: -0.371 local terms energy: -442.077957 where: bonds (distance) C4'-P energy: -126.602 bonds (distance) P-C4' energy: -132.721 flat angles C4'-P-C4' energy: -124.600 flat angles P-C4'-P energy: -72.633 tors. eta vs tors. theta energy: 14.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -587.055937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.055937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.055937 (E_RNA) where: Base-Base interactions energy: -209.873 where: short stacking energy: -181.111 Base-Backbone interact. energy: -0.786 local terms energy: -376.396826 where: bonds (distance) C4'-P energy: -118.202 bonds (distance) P-C4' energy: -136.331 flat angles C4'-P-C4' energy: -90.466 flat angles P-C4'-P energy: -70.087 tors. eta vs tors. theta energy: 38.689 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: 8 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -2683.284064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.284064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.284064 (E_RNA) where: Base-Base interactions energy: -1808.541 where: short stacking energy: -791.047 Base-Backbone interact. energy: -4.406 local terms energy: -870.337125 where: bonds (distance) C4'-P energy: -172.854 bonds (distance) P-C4' energy: -159.666 flat angles C4'-P-C4' energy: -173.547 flat angles P-C4'-P energy: -121.021 tors. eta vs tors. theta energy: -243.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2575.771923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.771923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.771923 (E_RNA) where: Base-Base interactions energy: -1794.017 where: short stacking energy: -768.935 Base-Backbone interact. energy: -1.262 local terms energy: -780.493337 where: bonds (distance) C4'-P energy: -142.154 bonds (distance) P-C4' energy: -140.873 flat angles C4'-P-C4' energy: -182.102 flat angles P-C4'-P energy: -106.134 tors. eta vs tors. theta energy: -209.230 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: 3, replica: 1 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -2497.855581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.855581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.855581 (E_RNA) where: Base-Base interactions energy: -1718.552 where: short stacking energy: -694.466 Base-Backbone interact. energy: 0.985 local terms energy: -780.288469 where: bonds (distance) C4'-P energy: -152.059 bonds (distance) P-C4' energy: -143.470 flat angles C4'-P-C4' energy: -174.947 flat angles P-C4'-P energy: -118.182 tors. eta vs tors. theta energy: -191.632 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: 4 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -2291.417773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.417773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.417773 (E_RNA) where: Base-Base interactions energy: -1493.398 where: short stacking energy: -664.262 Base-Backbone interact. energy: -6.294 local terms energy: -791.726269 where: bonds (distance) C4'-P energy: -150.844 bonds (distance) P-C4' energy: -145.427 flat angles C4'-P-C4' energy: -170.226 flat angles P-C4'-P energy: -130.645 tors. eta vs tors. theta energy: -194.585 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: 243 Temperature: 1.100000 Total energy: -2149.504584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.504584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.504584 (E_RNA) where: Base-Base interactions energy: -1401.557 where: short stacking energy: -650.636 Base-Backbone interact. energy: -1.187 local terms energy: -746.759868 where: bonds (distance) C4'-P energy: -144.792 bonds (distance) P-C4' energy: -157.453 flat angles C4'-P-C4' energy: -162.063 flat angles P-C4'-P energy: -102.609 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: 6 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1919.753604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.753604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.753604 (E_RNA) where: Base-Base interactions energy: -1272.350 where: short stacking energy: -547.474 Base-Backbone interact. energy: 1.157 local terms energy: -648.560586 where: bonds (distance) C4'-P energy: -120.467 bonds (distance) P-C4' energy: -144.714 flat angles C4'-P-C4' energy: -151.402 flat angles P-C4'-P energy: -112.707 tors. eta vs tors. theta energy: -119.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1463.538794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.538794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.538794 (E_RNA) where: Base-Base interactions energy: -933.980 where: short stacking energy: -404.799 Base-Backbone interact. energy: -0.564 local terms energy: -528.995060 where: bonds (distance) C4'-P energy: -133.312 bonds (distance) P-C4' energy: -127.636 flat angles C4'-P-C4' energy: -115.656 flat angles P-C4'-P energy: -77.775 tors. eta vs tors. theta energy: -74.616 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: 3 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1274.191220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.191220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.191220 (E_RNA) where: Base-Base interactions energy: -735.543 where: short stacking energy: -343.794 Base-Backbone interact. energy: -1.591 local terms energy: -537.056862 where: bonds (distance) C4'-P energy: -151.476 bonds (distance) P-C4' energy: -129.159 flat angles C4'-P-C4' energy: -124.629 flat angles P-C4'-P energy: -85.693 tors. eta vs tors. theta energy: -46.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -831.583467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.583467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.583467 (E_RNA) where: Base-Base interactions energy: -390.948 where: short stacking energy: -235.806 Base-Backbone interact. energy: 4.549 local terms energy: -445.183997 where: bonds (distance) C4'-P energy: -132.698 bonds (distance) P-C4' energy: -131.812 flat angles C4'-P-C4' energy: -101.650 flat angles P-C4'-P energy: -73.799 tors. eta vs tors. theta energy: -5.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -647.000052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.000052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.000052 (E_RNA) where: Base-Base interactions energy: -230.517 where: short stacking energy: -160.901 Base-Backbone interact. energy: -7.218 local terms energy: -409.264706 where: bonds (distance) C4'-P energy: -141.496 bonds (distance) P-C4' energy: -139.084 flat angles C4'-P-C4' energy: -133.613 flat angles P-C4'-P energy: -52.304 tors. eta vs tors. theta energy: 57.232 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: 8 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -2643.280984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.280984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.280984 (E_RNA) where: Base-Base interactions energy: -1787.215 where: short stacking energy: -746.665 Base-Backbone interact. energy: -3.814 local terms energy: -852.252348 where: bonds (distance) C4'-P energy: -169.810 bonds (distance) P-C4' energy: -163.661 flat angles C4'-P-C4' energy: -177.308 flat angles P-C4'-P energy: -124.284 tors. eta vs tors. theta energy: -217.189 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: 2 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2593.580671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.580671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.580671 (E_RNA) where: Base-Base interactions energy: -1791.690 where: short stacking energy: -767.311 Base-Backbone interact. energy: -2.931 local terms energy: -798.959772 where: bonds (distance) C4'-P energy: -144.431 bonds (distance) P-C4' energy: -169.657 flat angles C4'-P-C4' energy: -166.138 flat angles P-C4'-P energy: -113.795 tors. eta vs tors. theta energy: -204.939 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: 1 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2486.367073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.367073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.367073 (E_RNA) where: Base-Base interactions energy: -1681.921 where: short stacking energy: -717.864 Base-Backbone interact. energy: 3.394 local terms energy: -807.840365 where: bonds (distance) C4'-P energy: -167.788 bonds (distance) P-C4' energy: -165.081 flat angles C4'-P-C4' energy: -169.944 flat angles P-C4'-P energy: -113.221 tors. eta vs tors. theta energy: -191.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -2287.197254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.197254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.197254 (E_RNA) where: Base-Base interactions energy: -1584.419 where: short stacking energy: -702.395 Base-Backbone interact. energy: 1.483 local terms energy: -704.261452 where: bonds (distance) C4'-P energy: -121.151 bonds (distance) P-C4' energy: -141.931 flat angles C4'-P-C4' energy: -173.661 flat angles P-C4'-P energy: -89.670 tors. eta vs tors. theta energy: -177.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -2126.143950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.143950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.143950 (E_RNA) where: Base-Base interactions energy: -1417.129 where: short stacking energy: -630.843 Base-Backbone interact. energy: 2.848 local terms energy: -711.862758 where: bonds (distance) C4'-P energy: -137.430 bonds (distance) P-C4' energy: -154.234 flat angles C4'-P-C4' energy: -165.768 flat angles P-C4'-P energy: -96.671 tors. eta vs tors. theta energy: -157.760 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: 6 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -1856.585608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.585608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.585608 (E_RNA) where: Base-Base interactions energy: -1230.297 where: short stacking energy: -547.705 Base-Backbone interact. energy: -1.597 local terms energy: -624.691475 where: bonds (distance) C4'-P energy: -143.789 bonds (distance) P-C4' energy: -136.296 flat angles C4'-P-C4' energy: -138.076 flat angles P-C4'-P energy: -72.025 tors. eta vs tors. theta energy: -134.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1454.974538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.974538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.974538 (E_RNA) where: Base-Base interactions energy: -889.515 where: short stacking energy: -409.638 Base-Backbone interact. energy: -0.168 local terms energy: -565.290863 where: bonds (distance) C4'-P energy: -133.648 bonds (distance) P-C4' energy: -119.969 flat angles C4'-P-C4' energy: -151.009 flat angles P-C4'-P energy: -65.410 tors. eta vs tors. theta energy: -95.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1329.634366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.634366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.634366 (E_RNA) where: Base-Base interactions energy: -780.120 where: short stacking energy: -370.944 Base-Backbone interact. energy: 3.910 local terms energy: -553.424863 where: bonds (distance) C4'-P energy: -115.129 bonds (distance) P-C4' energy: -155.009 flat angles C4'-P-C4' energy: -139.192 flat angles P-C4'-P energy: -68.176 tors. eta vs tors. theta energy: -75.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -892.545700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.545700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.545700 (E_RNA) where: Base-Base interactions energy: -429.839 where: short stacking energy: -226.811 Base-Backbone interact. energy: 1.104 local terms energy: -463.810063 where: bonds (distance) C4'-P energy: -129.961 bonds (distance) P-C4' energy: -126.580 flat angles C4'-P-C4' energy: -104.172 flat angles P-C4'-P energy: -95.168 tors. eta vs tors. theta energy: -7.930 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: 7 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -609.827156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.827156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.827156 (E_RNA) where: Base-Base interactions energy: -223.935 where: short stacking energy: -172.367 Base-Backbone interact. energy: -1.422 local terms energy: -384.469468 where: bonds (distance) C4'-P energy: -118.356 bonds (distance) P-C4' energy: -142.479 flat angles C4'-P-C4' energy: -107.701 flat angles P-C4'-P energy: -55.854 tors. eta vs tors. theta energy: 39.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -2678.251240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.251240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.251240 (E_RNA) where: Base-Base interactions energy: -1832.233 where: short stacking energy: -776.560 Base-Backbone interact. energy: -9.450 local terms energy: -836.567659 where: bonds (distance) C4'-P energy: -157.037 bonds (distance) P-C4' energy: -163.934 flat angles C4'-P-C4' energy: -172.498 flat angles P-C4'-P energy: -119.711 tors. eta vs tors. theta energy: -223.388 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: 2, replica: 2 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2601.533907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.533907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.533907 (E_RNA) where: Base-Base interactions energy: -1807.682 where: short stacking energy: -780.439 Base-Backbone interact. energy: -6.412 local terms energy: -787.440638 where: bonds (distance) C4'-P energy: -139.455 bonds (distance) P-C4' energy: -143.525 flat angles C4'-P-C4' energy: -178.682 flat angles P-C4'-P energy: -120.003 tors. eta vs tors. theta energy: -205.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -2477.245760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.245760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.245760 (E_RNA) where: Base-Base interactions energy: -1712.793 where: short stacking energy: -720.824 Base-Backbone interact. energy: 0.151 local terms energy: -764.603730 where: bonds (distance) C4'-P energy: -140.434 bonds (distance) P-C4' energy: -145.151 flat angles C4'-P-C4' energy: -164.505 flat angles P-C4'-P energy: -106.347 tors. eta vs tors. theta energy: -208.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -2238.385952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.385952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.385952 (E_RNA) where: Base-Base interactions energy: -1530.643 where: short stacking energy: -651.190 Base-Backbone interact. energy: 1.224 local terms energy: -708.966230 where: bonds (distance) C4'-P energy: -130.882 bonds (distance) P-C4' energy: -138.169 flat angles C4'-P-C4' energy: -164.733 flat angles P-C4'-P energy: -104.077 tors. eta vs tors. theta energy: -171.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -2180.371958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.371958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.371958 (E_RNA) where: Base-Base interactions energy: -1453.626 where: short stacking energy: -638.472 Base-Backbone interact. energy: -0.702 local terms energy: -726.044045 where: bonds (distance) C4'-P energy: -151.925 bonds (distance) P-C4' energy: -140.751 flat angles C4'-P-C4' energy: -152.083 flat angles P-C4'-P energy: -98.461 tors. eta vs tors. theta energy: -182.824 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: 6 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1841.938583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.938583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.938583 (E_RNA) where: Base-Base interactions energy: -1216.759 where: short stacking energy: -525.565 Base-Backbone interact. energy: -2.754 local terms energy: -622.425090 where: bonds (distance) C4'-P energy: -129.012 bonds (distance) P-C4' energy: -147.996 flat angles C4'-P-C4' energy: -145.849 flat angles P-C4'-P energy: -77.033 tors. eta vs tors. theta energy: -122.535 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: 10 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1439.226128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.226128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.226128 (E_RNA) where: Base-Base interactions energy: -875.815 where: short stacking energy: -424.330 Base-Backbone interact. energy: -3.391 local terms energy: -560.020116 where: bonds (distance) C4'-P energy: -135.619 bonds (distance) P-C4' energy: -127.701 flat angles C4'-P-C4' energy: -124.249 flat angles P-C4'-P energy: -86.929 tors. eta vs tors. theta energy: -85.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1362.298190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.298190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.298190 (E_RNA) where: Base-Base interactions energy: -773.793 where: short stacking energy: -374.909 Base-Backbone interact. energy: -3.699 local terms energy: -584.805902 where: bonds (distance) C4'-P energy: -144.081 bonds (distance) P-C4' energy: -146.951 flat angles C4'-P-C4' energy: -133.751 flat angles P-C4'-P energy: -82.048 tors. eta vs tors. theta energy: -77.975 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: 9 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -937.555379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.555379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.555379 (E_RNA) where: Base-Base interactions energy: -492.571 where: short stacking energy: -256.222 Base-Backbone interact. energy: 7.882 local terms energy: -452.867152 where: bonds (distance) C4'-P energy: -122.494 bonds (distance) P-C4' energy: -150.572 flat angles C4'-P-C4' energy: -114.190 flat angles P-C4'-P energy: -61.642 tors. eta vs tors. theta energy: -3.969 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: 10, replica: 7 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -652.651594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.651594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.651594 (E_RNA) where: Base-Base interactions energy: -259.093 where: short stacking energy: -191.780 Base-Backbone interact. energy: -0.886 local terms energy: -392.672440 where: bonds (distance) C4'-P energy: -128.279 bonds (distance) P-C4' energy: -114.194 flat angles C4'-P-C4' energy: -113.247 flat angles P-C4'-P energy: -59.626 tors. eta vs tors. theta energy: 22.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -2675.738612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.738612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.738612 (E_RNA) where: Base-Base interactions energy: -1824.712 where: short stacking energy: -775.516 Base-Backbone interact. energy: -1.647 local terms energy: -849.379171 where: bonds (distance) C4'-P energy: -162.760 bonds (distance) P-C4' energy: -159.290 flat angles C4'-P-C4' energy: -182.861 flat angles P-C4'-P energy: -119.366 tors. eta vs tors. theta energy: -225.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2575.864441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.864441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.864441 (E_RNA) where: Base-Base interactions energy: -1765.418 where: short stacking energy: -731.538 Base-Backbone interact. energy: 0.472 local terms energy: -810.918526 where: bonds (distance) C4'-P energy: -157.235 bonds (distance) P-C4' energy: -162.347 flat angles C4'-P-C4' energy: -182.472 flat angles P-C4'-P energy: -119.639 tors. eta vs tors. theta energy: -189.225 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: 3, replica: 1 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2521.398869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.398869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.398869 (E_RNA) where: Base-Base interactions energy: -1729.970 where: short stacking energy: -696.443 Base-Backbone interact. energy: -2.461 local terms energy: -788.967815 where: bonds (distance) C4'-P energy: -148.695 bonds (distance) P-C4' energy: -144.933 flat angles C4'-P-C4' energy: -184.623 flat angles P-C4'-P energy: -114.866 tors. eta vs tors. theta energy: -195.851 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: 4, replica: 4 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -2222.827343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.827343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.827343 (E_RNA) where: Base-Base interactions energy: -1461.675 where: short stacking energy: -658.342 Base-Backbone interact. energy: -4.355 local terms energy: -756.796508 where: bonds (distance) C4'-P energy: -133.686 bonds (distance) P-C4' energy: -149.013 flat angles C4'-P-C4' energy: -176.665 flat angles P-C4'-P energy: -116.788 tors. eta vs tors. theta energy: -180.645 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: 5, replica: 5 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -2205.485310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.485310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.485310 (E_RNA) where: Base-Base interactions energy: -1473.526 where: short stacking energy: -666.495 Base-Backbone interact. energy: 1.560 local terms energy: -733.519599 where: bonds (distance) C4'-P energy: -135.505 bonds (distance) P-C4' energy: -144.822 flat angles C4'-P-C4' energy: -169.825 flat angles P-C4'-P energy: -97.603 tors. eta vs tors. theta energy: -185.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1902.514004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.514004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.514004 (E_RNA) where: Base-Base interactions energy: -1262.181 where: short stacking energy: -549.844 Base-Backbone interact. energy: 4.703 local terms energy: -645.035925 where: bonds (distance) C4'-P energy: -129.004 bonds (distance) P-C4' energy: -149.373 flat angles C4'-P-C4' energy: -161.091 flat angles P-C4'-P energy: -71.312 tors. eta vs tors. theta energy: -134.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1436.535181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.535181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.535181 (E_RNA) where: Base-Base interactions energy: -881.377 where: short stacking energy: -404.595 Base-Backbone interact. energy: 1.448 local terms energy: -556.606146 where: bonds (distance) C4'-P energy: -118.110 bonds (distance) P-C4' energy: -140.916 flat angles C4'-P-C4' energy: -129.031 flat angles P-C4'-P energy: -97.106 tors. eta vs tors. theta energy: -71.444 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: 3 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1334.508546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.508546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.508546 (E_RNA) where: Base-Base interactions energy: -794.252 where: short stacking energy: -386.965 Base-Backbone interact. energy: -4.084 local terms energy: -536.172547 where: bonds (distance) C4'-P energy: -122.223 bonds (distance) P-C4' energy: -137.039 flat angles C4'-P-C4' energy: -132.524 flat angles P-C4'-P energy: -61.600 tors. eta vs tors. theta energy: -82.786 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: 9, replica: 9 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -965.138220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.138220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.138220 (E_RNA) where: Base-Base interactions energy: -487.291 where: short stacking energy: -269.876 Base-Backbone interact. energy: -3.051 local terms energy: -474.796233 where: bonds (distance) C4'-P energy: -131.983 bonds (distance) P-C4' energy: -150.076 flat angles C4'-P-C4' energy: -108.827 flat angles P-C4'-P energy: -72.542 tors. eta vs tors. theta energy: -11.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -617.925117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.925117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.925117 (E_RNA) where: Base-Base interactions energy: -215.944 where: short stacking energy: -177.677 Base-Backbone interact. energy: 2.563 local terms energy: -404.544307 where: bonds (distance) C4'-P energy: -134.105 bonds (distance) P-C4' energy: -126.546 flat angles C4'-P-C4' energy: -114.980 flat angles P-C4'-P energy: -50.144 tors. eta vs tors. theta energy: 21.232 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: 8 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -2732.783317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.783317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.783317 (E_RNA) where: Base-Base interactions energy: -1882.766 where: short stacking energy: -744.610 Base-Backbone interact. energy: -4.482 local terms energy: -845.535319 where: bonds (distance) C4'-P energy: -160.971 bonds (distance) P-C4' energy: -171.281 flat angles C4'-P-C4' energy: -173.958 flat angles P-C4'-P energy: -115.258 tors. eta vs tors. theta energy: -224.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2608.704671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.704671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.704671 (E_RNA) where: Base-Base interactions energy: -1795.511 where: short stacking energy: -750.920 Base-Backbone interact. energy: -0.764 local terms energy: -812.429946 where: bonds (distance) C4'-P energy: -146.375 bonds (distance) P-C4' energy: -156.831 flat angles C4'-P-C4' energy: -179.063 flat angles P-C4'-P energy: -119.427 tors. eta vs tors. theta energy: -210.733 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: 3, replica: 1 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2531.576591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.576591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.576591 (E_RNA) where: Base-Base interactions energy: -1712.320 where: short stacking energy: -730.948 Base-Backbone interact. energy: -1.224 local terms energy: -818.032708 where: bonds (distance) C4'-P energy: -144.298 bonds (distance) P-C4' energy: -161.409 flat angles C4'-P-C4' energy: -182.439 flat angles P-C4'-P energy: -119.839 tors. eta vs tors. theta energy: -210.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -2377.484971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.484971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.484971 (E_RNA) where: Base-Base interactions energy: -1609.917 where: short stacking energy: -677.412 Base-Backbone interact. energy: -2.955 local terms energy: -764.613488 where: bonds (distance) C4'-P energy: -149.113 bonds (distance) P-C4' energy: -150.742 flat angles C4'-P-C4' energy: -156.401 flat angles P-C4'-P energy: -123.699 tors. eta vs tors. theta energy: -184.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -2124.789775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.789775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.789775 (E_RNA) where: Base-Base interactions energy: -1407.936 where: short stacking energy: -660.661 Base-Backbone interact. energy: -2.847 local terms energy: -714.006773 where: bonds (distance) C4'-P energy: -130.336 bonds (distance) P-C4' energy: -148.128 flat angles C4'-P-C4' energy: -165.368 flat angles P-C4'-P energy: -87.799 tors. eta vs tors. theta energy: -182.376 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: 6 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1866.419735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.419735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.419735 (E_RNA) where: Base-Base interactions energy: -1224.864 where: short stacking energy: -527.780 Base-Backbone interact. energy: -3.229 local terms energy: -638.326522 where: bonds (distance) C4'-P energy: -133.084 bonds (distance) P-C4' energy: -134.941 flat angles C4'-P-C4' energy: -156.298 flat angles P-C4'-P energy: -100.375 tors. eta vs tors. theta energy: -113.628 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: 7, replica: 10 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1411.402660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.402660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.402660 (E_RNA) where: Base-Base interactions energy: -855.412 where: short stacking energy: -393.800 Base-Backbone interact. energy: -2.874 local terms energy: -553.116591 where: bonds (distance) C4'-P energy: -144.407 bonds (distance) P-C4' energy: -124.615 flat angles C4'-P-C4' energy: -119.453 flat angles P-C4'-P energy: -79.375 tors. eta vs tors. theta energy: -85.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1316.068032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.068032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.068032 (E_RNA) where: Base-Base interactions energy: -795.428 where: short stacking energy: -375.806 Base-Backbone interact. energy: -1.618 local terms energy: -519.022280 where: bonds (distance) C4'-P energy: -115.794 bonds (distance) P-C4' energy: -153.062 flat angles C4'-P-C4' energy: -125.994 flat angles P-C4'-P energy: -69.878 tors. eta vs tors. theta energy: -54.293 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: 9 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -1003.283654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.283654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.283654 (E_RNA) where: Base-Base interactions energy: -512.618 where: short stacking energy: -303.014 Base-Backbone interact. energy: 3.884 local terms energy: -494.549890 where: bonds (distance) C4'-P energy: -131.409 bonds (distance) P-C4' energy: -148.923 flat angles C4'-P-C4' energy: -116.392 flat angles P-C4'-P energy: -72.217 tors. eta vs tors. theta energy: -25.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -589.760129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.760129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.760129 (E_RNA) where: Base-Base interactions energy: -188.586 where: short stacking energy: -151.020 Base-Backbone interact. energy: -1.075 local terms energy: -400.099949 where: bonds (distance) C4'-P energy: -121.448 bonds (distance) P-C4' energy: -153.257 flat angles C4'-P-C4' energy: -109.325 flat angles P-C4'-P energy: -71.555 tors. eta vs tors. theta energy: 55.485 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: 1, replica: 8 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -2702.546948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.546948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.546948 (E_RNA) where: Base-Base interactions energy: -1874.916 where: short stacking energy: -779.401 Base-Backbone interact. energy: -5.374 local terms energy: -822.256811 where: bonds (distance) C4'-P energy: -162.227 bonds (distance) P-C4' energy: -152.767 flat angles C4'-P-C4' energy: -178.213 flat angles P-C4'-P energy: -114.487 tors. eta vs tors. theta energy: -214.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -2605.220224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.220224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.220224 (E_RNA) where: Base-Base interactions energy: -1807.181 where: short stacking energy: -749.244 Base-Backbone interact. energy: -3.209 local terms energy: -794.830209 where: bonds (distance) C4'-P energy: -150.451 bonds (distance) P-C4' energy: -152.563 flat angles C4'-P-C4' energy: -165.494 flat angles P-C4'-P energy: -117.433 tors. eta vs tors. theta energy: -208.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2547.106102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.106102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.106102 (E_RNA) where: Base-Base interactions energy: -1763.231 where: short stacking energy: -757.237 Base-Backbone interact. energy: -1.928 local terms energy: -781.947053 where: bonds (distance) C4'-P energy: -150.205 bonds (distance) P-C4' energy: -139.760 flat angles C4'-P-C4' energy: -161.500 flat angles P-C4'-P energy: -111.316 tors. eta vs tors. theta energy: -219.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -2289.079827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.079827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.079827 (E_RNA) where: Base-Base interactions energy: -1541.189 where: short stacking energy: -662.659 Base-Backbone interact. energy: -1.791 local terms energy: -746.099105 where: bonds (distance) C4'-P energy: -145.869 bonds (distance) P-C4' energy: -144.183 flat angles C4'-P-C4' energy: -164.091 flat angles P-C4'-P energy: -94.370 tors. eta vs tors. theta energy: -197.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -2151.938814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.938814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.938814 (E_RNA) where: Base-Base interactions energy: -1418.046 where: short stacking energy: -636.593 Base-Backbone interact. energy: -4.718 local terms energy: -729.174243 where: bonds (distance) C4'-P energy: -142.079 bonds (distance) P-C4' energy: -139.462 flat angles C4'-P-C4' energy: -164.678 flat angles P-C4'-P energy: -115.343 tors. eta vs tors. theta energy: -167.612 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: 6, replica: 6 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1879.618833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.618833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.618833 (E_RNA) where: Base-Base interactions energy: -1220.937 where: short stacking energy: -536.577 Base-Backbone interact. energy: -3.476 local terms energy: -655.206381 where: bonds (distance) C4'-P energy: -147.281 bonds (distance) P-C4' energy: -136.632 flat angles C4'-P-C4' energy: -160.605 flat angles P-C4'-P energy: -73.398 tors. eta vs tors. theta energy: -137.290 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: 7, replica: 10 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1468.544640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.544640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.544640 (E_RNA) where: Base-Base interactions energy: -905.391 where: short stacking energy: -417.611 Base-Backbone interact. energy: 6.032 local terms energy: -569.186051 where: bonds (distance) C4'-P energy: -143.607 bonds (distance) P-C4' energy: -121.991 flat angles C4'-P-C4' energy: -145.825 flat angles P-C4'-P energy: -76.816 tors. eta vs tors. theta energy: -80.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1364.643937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.643937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.643937 (E_RNA) where: Base-Base interactions energy: -840.386 where: short stacking energy: -389.628 Base-Backbone interact. energy: -2.483 local terms energy: -521.774693 where: bonds (distance) C4'-P energy: -132.056 bonds (distance) P-C4' energy: -130.656 flat angles C4'-P-C4' energy: -126.480 flat angles P-C4'-P energy: -71.458 tors. eta vs tors. theta energy: -61.125 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: 9 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -907.717840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.717840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.717840 (E_RNA) where: Base-Base interactions energy: -449.863 where: short stacking energy: -226.375 Base-Backbone interact. energy: -2.217 local terms energy: -455.637647 where: bonds (distance) C4'-P energy: -125.366 bonds (distance) P-C4' energy: -133.243 flat angles C4'-P-C4' energy: -126.801 flat angles P-C4'-P energy: -76.008 tors. eta vs tors. theta energy: 5.781 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: 7 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -659.156971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.156971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.156971 (E_RNA) where: Base-Base interactions energy: -262.595 where: short stacking energy: -184.526 Base-Backbone interact. energy: 2.475 local terms energy: -399.037566 where: bonds (distance) C4'-P energy: -133.338 bonds (distance) P-C4' energy: -127.889 flat angles C4'-P-C4' energy: -98.585 flat angles P-C4'-P energy: -72.156 tors. eta vs tors. theta energy: 32.930 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: 1, replica: 8 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -2686.237660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.237660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.237660 (E_RNA) where: Base-Base interactions energy: -1838.009 where: short stacking energy: -788.733 Base-Backbone interact. energy: -8.878 local terms energy: -839.349896 where: bonds (distance) C4'-P energy: -167.235 bonds (distance) P-C4' energy: -147.320 flat angles C4'-P-C4' energy: -183.556 flat angles P-C4'-P energy: -112.978 tors. eta vs tors. theta energy: -228.262 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: 2 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -2610.329597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.329597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.329597 (E_RNA) where: Base-Base interactions energy: -1801.148 where: short stacking energy: -752.766 Base-Backbone interact. energy: -3.592 local terms energy: -805.589323 where: bonds (distance) C4'-P energy: -143.963 bonds (distance) P-C4' energy: -159.744 flat angles C4'-P-C4' energy: -180.515 flat angles P-C4'-P energy: -109.754 tors. eta vs tors. theta energy: -211.614 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: 1 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -2520.477724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.477724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.477724 (E_RNA) where: Base-Base interactions energy: -1736.899 where: short stacking energy: -720.522 Base-Backbone interact. energy: -4.363 local terms energy: -779.215711 where: bonds (distance) C4'-P energy: -142.584 bonds (distance) P-C4' energy: -161.023 flat angles C4'-P-C4' energy: -176.824 flat angles P-C4'-P energy: -96.209 tors. eta vs tors. theta energy: -202.576 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: 5 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -2239.612059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.612059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.612059 (E_RNA) where: Base-Base interactions energy: -1472.356 where: short stacking energy: -680.639 Base-Backbone interact. energy: -2.938 local terms energy: -764.318017 where: bonds (distance) C4'-P energy: -153.082 bonds (distance) P-C4' energy: -151.715 flat angles C4'-P-C4' energy: -164.404 flat angles P-C4'-P energy: -98.262 tors. eta vs tors. theta energy: -196.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -2171.756091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.756091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.756091 (E_RNA) where: Base-Base interactions energy: -1449.878 where: short stacking energy: -620.140 Base-Backbone interact. energy: -2.872 local terms energy: -719.005575 where: bonds (distance) C4'-P energy: -145.447 bonds (distance) P-C4' energy: -137.579 flat angles C4'-P-C4' energy: -165.135 flat angles P-C4'-P energy: -100.894 tors. eta vs tors. theta energy: -169.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1861.764538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.764538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.764538 (E_RNA) where: Base-Base interactions energy: -1204.298 where: short stacking energy: -576.845 Base-Backbone interact. energy: -5.175 local terms energy: -652.291475 where: bonds (distance) C4'-P energy: -140.891 bonds (distance) P-C4' energy: -152.044 flat angles C4'-P-C4' energy: -136.499 flat angles P-C4'-P energy: -77.862 tors. eta vs tors. theta energy: -144.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1405.645783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.645783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.645783 (E_RNA) where: Base-Base interactions energy: -843.560 where: short stacking energy: -402.768 Base-Backbone interact. energy: -1.050 local terms energy: -561.036022 where: bonds (distance) C4'-P energy: -134.451 bonds (distance) P-C4' energy: -146.660 flat angles C4'-P-C4' energy: -132.957 flat angles P-C4'-P energy: -88.607 tors. eta vs tors. theta energy: -58.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1299.473951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.473951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.473951 (E_RNA) where: Base-Base interactions energy: -780.053 where: short stacking energy: -379.099 Base-Backbone interact. energy: -2.565 local terms energy: -516.855973 where: bonds (distance) C4'-P energy: -143.959 bonds (distance) P-C4' energy: -118.641 flat angles C4'-P-C4' energy: -120.554 flat angles P-C4'-P energy: -78.585 tors. eta vs tors. theta energy: -55.117 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: 9 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -891.579516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.579516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.579516 (E_RNA) where: Base-Base interactions energy: -421.706 where: short stacking energy: -267.240 Base-Backbone interact. energy: -3.778 local terms energy: -466.094898 where: bonds (distance) C4'-P energy: -112.948 bonds (distance) P-C4' energy: -136.690 flat angles C4'-P-C4' energy: -121.419 flat angles P-C4'-P energy: -79.350 tors. eta vs tors. theta energy: -15.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -689.068277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.068277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.068277 (E_RNA) where: Base-Base interactions energy: -274.189 where: short stacking energy: -198.624 Base-Backbone interact. energy: -1.413 local terms energy: -413.465932 where: bonds (distance) C4'-P energy: -132.295 bonds (distance) P-C4' energy: -144.971 flat angles C4'-P-C4' energy: -103.590 flat angles P-C4'-P energy: -67.970 tors. eta vs tors. theta energy: 35.359 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: 1, replica: 8 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -2716.566438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.566438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.566438 (E_RNA) where: Base-Base interactions energy: -1871.884 where: short stacking energy: -766.273 Base-Backbone interact. energy: -2.209 local terms energy: -842.473421 where: bonds (distance) C4'-P energy: -158.021 bonds (distance) P-C4' energy: -174.541 flat angles C4'-P-C4' energy: -179.883 flat angles P-C4'-P energy: -114.894 tors. eta vs tors. theta energy: -215.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -2614.792142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.792142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.792142 (E_RNA) where: Base-Base interactions energy: -1774.888 where: short stacking energy: -763.922 Base-Backbone interact. energy: -3.430 local terms energy: -836.473853 where: bonds (distance) C4'-P energy: -159.712 bonds (distance) P-C4' energy: -166.849 flat angles C4'-P-C4' energy: -179.345 flat angles P-C4'-P energy: -126.398 tors. eta vs tors. theta energy: -204.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -2582.302736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.302736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.302736 (E_RNA) where: Base-Base interactions energy: -1779.558 where: short stacking energy: -735.908 Base-Backbone interact. energy: 4.860 local terms energy: -807.605255 where: bonds (distance) C4'-P energy: -143.659 bonds (distance) P-C4' energy: -164.610 flat angles C4'-P-C4' energy: -177.007 flat angles P-C4'-P energy: -117.520 tors. eta vs tors. theta energy: -204.810 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: 4, replica: 5 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -2264.675795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.675795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.675795 (E_RNA) where: Base-Base interactions energy: -1503.296 where: short stacking energy: -668.782 Base-Backbone interact. energy: -1.770 local terms energy: -759.609142 where: bonds (distance) C4'-P energy: -144.624 bonds (distance) P-C4' energy: -147.944 flat angles C4'-P-C4' energy: -166.453 flat angles P-C4'-P energy: -99.893 tors. eta vs tors. theta energy: -200.694 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: 5, replica: 4 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -2175.773098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.773098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.773098 (E_RNA) where: Base-Base interactions energy: -1459.870 where: short stacking energy: -615.255 Base-Backbone interact. energy: -6.457 local terms energy: -709.445732 where: bonds (distance) C4'-P energy: -133.411 bonds (distance) P-C4' energy: -144.329 flat angles C4'-P-C4' energy: -159.491 flat angles P-C4'-P energy: -113.439 tors. eta vs tors. theta energy: -158.776 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: 6 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1825.842990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.842990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.842990 (E_RNA) where: Base-Base interactions energy: -1147.761 where: short stacking energy: -507.730 Base-Backbone interact. energy: 1.097 local terms energy: -679.178474 where: bonds (distance) C4'-P energy: -144.057 bonds (distance) P-C4' energy: -158.281 flat angles C4'-P-C4' energy: -148.775 flat angles P-C4'-P energy: -89.410 tors. eta vs tors. theta energy: -138.656 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: 10 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1527.099666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.099666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.099666 (E_RNA) where: Base-Base interactions energy: -949.293 where: short stacking energy: -439.947 Base-Backbone interact. energy: 1.950 local terms energy: -579.756434 where: bonds (distance) C4'-P energy: -147.093 bonds (distance) P-C4' energy: -149.431 flat angles C4'-P-C4' energy: -142.586 flat angles P-C4'-P energy: -72.947 tors. eta vs tors. theta energy: -67.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1293.626036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.626036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.626036 (E_RNA) where: Base-Base interactions energy: -740.616 where: short stacking energy: -375.621 Base-Backbone interact. energy: -0.418 local terms energy: -552.591869 where: bonds (distance) C4'-P energy: -140.225 bonds (distance) P-C4' energy: -151.975 flat angles C4'-P-C4' energy: -138.541 flat angles P-C4'-P energy: -73.873 tors. eta vs tors. theta energy: -47.978 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: 9 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -858.121873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.121873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.121873 (E_RNA) where: Base-Base interactions energy: -405.093 where: short stacking energy: -226.491 Base-Backbone interact. energy: 5.986 local terms energy: -459.014680 where: bonds (distance) C4'-P energy: -124.096 bonds (distance) P-C4' energy: -152.590 flat angles C4'-P-C4' energy: -121.738 flat angles P-C4'-P energy: -63.863 tors. eta vs tors. theta energy: 3.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -682.250575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.250575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.250575 (E_RNA) where: Base-Base interactions energy: -267.987 where: short stacking energy: -190.290 Base-Backbone interact. energy: -1.723 local terms energy: -412.540895 where: bonds (distance) C4'-P energy: -132.231 bonds (distance) P-C4' energy: -126.895 flat angles C4'-P-C4' energy: -109.428 flat angles P-C4'-P energy: -63.251 tors. eta vs tors. theta energy: 19.263 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: 251 Temperature: 0.900000 Total energy: -2755.586490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.586490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.586490 (E_RNA) where: Base-Base interactions energy: -1913.481 where: short stacking energy: -796.731 Base-Backbone interact. energy: -7.890 local terms energy: -834.215447 where: bonds (distance) C4'-P energy: -148.112 bonds (distance) P-C4' energy: -162.737 flat angles C4'-P-C4' energy: -176.280 flat angles P-C4'-P energy: -121.925 tors. eta vs tors. theta energy: -225.162 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: 1 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2627.600574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.600574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.600574 (E_RNA) where: Base-Base interactions energy: -1816.393 where: short stacking energy: -745.748 Base-Backbone interact. energy: -2.439 local terms energy: -808.769216 where: bonds (distance) C4'-P energy: -171.097 bonds (distance) P-C4' energy: -162.274 flat angles C4'-P-C4' energy: -171.699 flat angles P-C4'-P energy: -95.318 tors. eta vs tors. theta energy: -208.382 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: 2 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2516.352619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.352619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.352619 (E_RNA) where: Base-Base interactions energy: -1743.631 where: short stacking energy: -733.492 Base-Backbone interact. energy: -1.095 local terms energy: -771.626386 where: bonds (distance) C4'-P energy: -141.490 bonds (distance) P-C4' energy: -143.595 flat angles C4'-P-C4' energy: -174.319 flat angles P-C4'-P energy: -113.740 tors. eta vs tors. theta energy: -198.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -2294.185455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.185455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.185455 (E_RNA) where: Base-Base interactions energy: -1480.295 where: short stacking energy: -674.616 Base-Backbone interact. energy: -3.527 local terms energy: -810.364031 where: bonds (distance) C4'-P energy: -154.424 bonds (distance) P-C4' energy: -153.239 flat angles C4'-P-C4' energy: -187.388 flat angles P-C4'-P energy: -115.837 tors. eta vs tors. theta energy: -199.476 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: 5, replica: 4 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -2212.280446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.280446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.280446 (E_RNA) where: Base-Base interactions energy: -1498.085 where: short stacking energy: -613.673 Base-Backbone interact. energy: -1.171 local terms energy: -713.024755 where: bonds (distance) C4'-P energy: -146.132 bonds (distance) P-C4' energy: -146.349 flat angles C4'-P-C4' energy: -157.351 flat angles P-C4'-P energy: -100.908 tors. eta vs tors. theta energy: -162.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1864.501259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.501259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.501259 (E_RNA) where: Base-Base interactions energy: -1242.225 where: short stacking energy: -559.065 Base-Backbone interact. energy: -1.118 local terms energy: -621.158375 where: bonds (distance) C4'-P energy: -123.649 bonds (distance) P-C4' energy: -132.037 flat angles C4'-P-C4' energy: -148.694 flat angles P-C4'-P energy: -73.987 tors. eta vs tors. theta energy: -142.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1507.570456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.570456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.570456 (E_RNA) where: Base-Base interactions energy: -931.295 where: short stacking energy: -470.224 Base-Backbone interact. energy: -0.116 local terms energy: -576.159492 where: bonds (distance) C4'-P energy: -148.550 bonds (distance) P-C4' energy: -128.033 flat angles C4'-P-C4' energy: -143.091 flat angles P-C4'-P energy: -72.046 tors. eta vs tors. theta energy: -84.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1215.507741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.507741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.507741 (E_RNA) where: Base-Base interactions energy: -683.317 where: short stacking energy: -341.035 Base-Backbone interact. energy: 3.997 local terms energy: -536.187063 where: bonds (distance) C4'-P energy: -112.448 bonds (distance) P-C4' energy: -139.918 flat angles C4'-P-C4' energy: -145.073 flat angles P-C4'-P energy: -98.293 tors. eta vs tors. theta energy: -40.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -851.187529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.187529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.187529 (E_RNA) where: Base-Base interactions energy: -370.399 where: short stacking energy: -213.474 Base-Backbone interact. energy: -1.434 local terms energy: -479.354670 where: bonds (distance) C4'-P energy: -135.372 bonds (distance) P-C4' energy: -142.886 flat angles C4'-P-C4' energy: -108.002 flat angles P-C4'-P energy: -84.741 tors. eta vs tors. theta energy: -8.354 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: 7 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -706.793324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.793324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.793324 (E_RNA) where: Base-Base interactions energy: -291.514 where: short stacking energy: -213.691 Base-Backbone interact. energy: 5.172 local terms energy: -420.450546 where: bonds (distance) C4'-P energy: -113.841 bonds (distance) P-C4' energy: -131.959 flat angles C4'-P-C4' energy: -119.025 flat angles P-C4'-P energy: -71.987 tors. eta vs tors. theta energy: 16.362 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: 8 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -2678.400574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.400574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.400574 (E_RNA) where: Base-Base interactions energy: -1820.351 where: short stacking energy: -763.039 Base-Backbone interact. energy: -9.501 local terms energy: -848.549263 where: bonds (distance) C4'-P energy: -163.524 bonds (distance) P-C4' energy: -165.575 flat angles C4'-P-C4' energy: -180.238 flat angles P-C4'-P energy: -120.611 tors. eta vs tors. theta energy: -218.601 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: 2, replica: 1 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2658.650552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.650552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.650552 (E_RNA) where: Base-Base interactions energy: -1813.025 where: short stacking energy: -772.743 Base-Backbone interact. energy: -1.767 local terms energy: -843.859399 where: bonds (distance) C4'-P energy: -159.363 bonds (distance) P-C4' energy: -167.466 flat angles C4'-P-C4' energy: -181.448 flat angles P-C4'-P energy: -120.902 tors. eta vs tors. theta energy: -214.680 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: 2 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -2484.599397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.599397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.599397 (E_RNA) where: Base-Base interactions energy: -1702.147 where: short stacking energy: -744.150 Base-Backbone interact. energy: -3.339 local terms energy: -779.112812 where: bonds (distance) C4'-P energy: -139.548 bonds (distance) P-C4' energy: -159.216 flat angles C4'-P-C4' energy: -178.792 flat angles P-C4'-P energy: -90.130 tors. eta vs tors. theta energy: -211.427 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: 4, replica: 5 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -2225.107742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.107742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.107742 (E_RNA) where: Base-Base interactions energy: -1494.663 where: short stacking energy: -667.263 Base-Backbone interact. energy: 2.651 local terms energy: -733.095598 where: bonds (distance) C4'-P energy: -137.797 bonds (distance) P-C4' energy: -153.400 flat angles C4'-P-C4' energy: -152.794 flat angles P-C4'-P energy: -94.316 tors. eta vs tors. theta energy: -194.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -2167.834523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.834523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.834523 (E_RNA) where: Base-Base interactions energy: -1466.249 where: short stacking energy: -603.365 Base-Backbone interact. energy: -4.549 local terms energy: -697.036449 where: bonds (distance) C4'-P energy: -132.773 bonds (distance) P-C4' energy: -120.867 flat angles C4'-P-C4' energy: -165.597 flat angles P-C4'-P energy: -107.660 tors. eta vs tors. theta energy: -170.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1832.159162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.159162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.159162 (E_RNA) where: Base-Base interactions energy: -1217.898 where: short stacking energy: -561.704 Base-Backbone interact. energy: -0.517 local terms energy: -613.743547 where: bonds (distance) C4'-P energy: -138.905 bonds (distance) P-C4' energy: -119.274 flat angles C4'-P-C4' energy: -136.787 flat angles P-C4'-P energy: -81.874 tors. eta vs tors. theta energy: -136.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1521.706142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.706142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.706142 (E_RNA) where: Base-Base interactions energy: -904.998 where: short stacking energy: -423.501 Base-Backbone interact. energy: 3.243 local terms energy: -619.951350 where: bonds (distance) C4'-P energy: -135.497 bonds (distance) P-C4' energy: -145.808 flat angles C4'-P-C4' energy: -146.397 flat angles P-C4'-P energy: -90.808 tors. eta vs tors. theta energy: -101.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1239.244584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.244584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.244584 (E_RNA) where: Base-Base interactions energy: -690.553 where: short stacking energy: -346.803 Base-Backbone interact. energy: 3.447 local terms energy: -552.139491 where: bonds (distance) C4'-P energy: -114.127 bonds (distance) P-C4' energy: -151.347 flat angles C4'-P-C4' energy: -139.034 flat angles P-C4'-P energy: -91.244 tors. eta vs tors. theta energy: -56.387 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: 9, replica: 9 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -1029.306388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.306388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.306388 (E_RNA) where: Base-Base interactions energy: -550.792 where: short stacking energy: -292.466 Base-Backbone interact. energy: 1.960 local terms energy: -480.473961 where: bonds (distance) C4'-P energy: -132.414 bonds (distance) P-C4' energy: -135.267 flat angles C4'-P-C4' energy: -115.056 flat angles P-C4'-P energy: -58.869 tors. eta vs tors. theta energy: -38.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -647.426654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.426654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.426654 (E_RNA) where: Base-Base interactions energy: -239.480 where: short stacking energy: -168.557 Base-Backbone interact. energy: 2.788 local terms energy: -410.734332 where: bonds (distance) C4'-P energy: -135.321 bonds (distance) P-C4' energy: -138.973 flat angles C4'-P-C4' energy: -85.159 flat angles P-C4'-P energy: -74.208 tors. eta vs tors. theta energy: 22.928 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: 8 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -2662.526142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.526142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.526142 (E_RNA) where: Base-Base interactions energy: -1798.107 where: short stacking energy: -735.143 Base-Backbone interact. energy: -8.947 local terms energy: -855.471922 where: bonds (distance) C4'-P energy: -147.738 bonds (distance) P-C4' energy: -173.367 flat angles C4'-P-C4' energy: -177.095 flat angles P-C4'-P energy: -134.818 tors. eta vs tors. theta energy: -222.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2672.456779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.456779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.456779 (E_RNA) where: Base-Base interactions energy: -1837.117 where: short stacking energy: -791.016 Base-Backbone interact. energy: 1.213 local terms energy: -836.551850 where: bonds (distance) C4'-P energy: -160.170 bonds (distance) P-C4' energy: -173.632 flat angles C4'-P-C4' energy: -185.059 flat angles P-C4'-P energy: -110.745 tors. eta vs tors. theta energy: -206.946 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: 2 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2495.483949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.483949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.483949 (E_RNA) where: Base-Base interactions energy: -1698.163 where: short stacking energy: -728.345 Base-Backbone interact. energy: -3.900 local terms energy: -793.420837 where: bonds (distance) C4'-P energy: -150.854 bonds (distance) P-C4' energy: -150.432 flat angles C4'-P-C4' energy: -172.770 flat angles P-C4'-P energy: -119.761 tors. eta vs tors. theta energy: -199.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -2288.015717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.015717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.015717 (E_RNA) where: Base-Base interactions energy: -1547.352 where: short stacking energy: -680.823 Base-Backbone interact. energy: -5.735 local terms energy: -734.929077 where: bonds (distance) C4'-P energy: -147.156 bonds (distance) P-C4' energy: -145.923 flat angles C4'-P-C4' energy: -162.352 flat angles P-C4'-P energy: -99.729 tors. eta vs tors. theta energy: -179.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -2144.256004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.256004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.256004 (E_RNA) where: Base-Base interactions energy: -1432.738 where: short stacking energy: -647.276 Base-Backbone interact. energy: -3.950 local terms energy: -707.568166 where: bonds (distance) C4'-P energy: -139.586 bonds (distance) P-C4' energy: -138.625 flat angles C4'-P-C4' energy: -170.595 flat angles P-C4'-P energy: -88.058 tors. eta vs tors. theta energy: -170.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1773.059475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.059475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.059475 (E_RNA) where: Base-Base interactions energy: -1148.985 where: short stacking energy: -545.871 Base-Backbone interact. energy: 2.149 local terms energy: -626.224051 where: bonds (distance) C4'-P energy: -133.120 bonds (distance) P-C4' energy: -126.697 flat angles C4'-P-C4' energy: -158.891 flat angles P-C4'-P energy: -74.221 tors. eta vs tors. theta energy: -133.295 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: 7, replica: 10 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1575.691757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.691757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.691757 (E_RNA) where: Base-Base interactions energy: -1007.346 where: short stacking energy: -417.160 Base-Backbone interact. energy: -0.506 local terms energy: -567.839525 where: bonds (distance) C4'-P energy: -134.396 bonds (distance) P-C4' energy: -137.307 flat angles C4'-P-C4' energy: -134.057 flat angles P-C4'-P energy: -85.875 tors. eta vs tors. theta energy: -76.204 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: 3 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1216.289449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.289449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.289449 (E_RNA) where: Base-Base interactions energy: -640.169 where: short stacking energy: -321.460 Base-Backbone interact. energy: -1.273 local terms energy: -574.847524 where: bonds (distance) C4'-P energy: -149.651 bonds (distance) P-C4' energy: -147.843 flat angles C4'-P-C4' energy: -152.271 flat angles P-C4'-P energy: -81.002 tors. eta vs tors. theta energy: -44.080 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: 9, replica: 9 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -1008.790607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.790607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.790607 (E_RNA) where: Base-Base interactions energy: -525.726 where: short stacking energy: -251.066 Base-Backbone interact. energy: 1.675 local terms energy: -484.739407 where: bonds (distance) C4'-P energy: -130.596 bonds (distance) P-C4' energy: -138.566 flat angles C4'-P-C4' energy: -119.760 flat angles P-C4'-P energy: -81.799 tors. eta vs tors. theta energy: -14.019 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: 7 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -641.231453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.231453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.231453 (E_RNA) where: Base-Base interactions energy: -213.633 where: short stacking energy: -192.949 Base-Backbone interact. energy: -1.667 local terms energy: -425.931653 where: bonds (distance) C4'-P energy: -126.858 bonds (distance) P-C4' energy: -142.899 flat angles C4'-P-C4' energy: -98.279 flat angles P-C4'-P energy: -69.186 tors. eta vs tors. theta energy: 11.291 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: 1, replica: 8 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -2657.226886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.226886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.226886 (E_RNA) where: Base-Base interactions energy: -1820.672 where: short stacking energy: -756.834 Base-Backbone interact. energy: -5.274 local terms energy: -831.280637 where: bonds (distance) C4'-P energy: -148.422 bonds (distance) P-C4' energy: -175.694 flat angles C4'-P-C4' energy: -173.440 flat angles P-C4'-P energy: -120.640 tors. eta vs tors. theta energy: -213.084 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: 1 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2642.896441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.896441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.896441 (E_RNA) where: Base-Base interactions energy: -1828.208 where: short stacking energy: -768.130 Base-Backbone interact. energy: -3.672 local terms energy: -811.016813 where: bonds (distance) C4'-P energy: -155.771 bonds (distance) P-C4' energy: -163.180 flat angles C4'-P-C4' energy: -167.182 flat angles P-C4'-P energy: -112.747 tors. eta vs tors. theta energy: -212.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -2494.022129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.022129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.022129 (E_RNA) where: Base-Base interactions energy: -1709.177 where: short stacking energy: -739.976 Base-Backbone interact. energy: 0.199 local terms energy: -785.044032 where: bonds (distance) C4'-P energy: -144.139 bonds (distance) P-C4' energy: -127.407 flat angles C4'-P-C4' energy: -187.641 flat angles P-C4'-P energy: -119.861 tors. eta vs tors. theta energy: -205.996 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: 4 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -2265.492729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.492729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.492729 (E_RNA) where: Base-Base interactions energy: -1526.028 where: short stacking energy: -642.632 Base-Backbone interact. energy: -1.159 local terms energy: -738.306114 where: bonds (distance) C4'-P energy: -147.641 bonds (distance) P-C4' energy: -139.249 flat angles C4'-P-C4' energy: -166.774 flat angles P-C4'-P energy: -115.622 tors. eta vs tors. theta energy: -169.020 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: 254 Temperature: 1.100000 Total energy: -2103.071715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.071715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.071715 (E_RNA) where: Base-Base interactions energy: -1387.202 where: short stacking energy: -605.758 Base-Backbone interact. energy: -2.509 local terms energy: -713.360745 where: bonds (distance) C4'-P energy: -141.853 bonds (distance) P-C4' energy: -151.532 flat angles C4'-P-C4' energy: -156.052 flat angles P-C4'-P energy: -108.482 tors. eta vs tors. theta energy: -155.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1831.565204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.565204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.565204 (E_RNA) where: Base-Base interactions energy: -1198.242 where: short stacking energy: -544.191 Base-Backbone interact. energy: -0.611 local terms energy: -632.712128 where: bonds (distance) C4'-P energy: -128.860 bonds (distance) P-C4' energy: -129.135 flat angles C4'-P-C4' energy: -158.727 flat angles P-C4'-P energy: -84.744 tors. eta vs tors. theta energy: -131.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1540.191792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.191792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.191792 (E_RNA) where: Base-Base interactions energy: -951.940 where: short stacking energy: -433.916 Base-Backbone interact. energy: -3.114 local terms energy: -585.138099 where: bonds (distance) C4'-P energy: -121.941 bonds (distance) P-C4' energy: -161.674 flat angles C4'-P-C4' energy: -136.004 flat angles P-C4'-P energy: -82.305 tors. eta vs tors. theta energy: -83.213 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: 3 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1159.652137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.652137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.652137 (E_RNA) where: Base-Base interactions energy: -667.361 where: short stacking energy: -335.160 Base-Backbone interact. energy: -1.153 local terms energy: -491.137939 where: bonds (distance) C4'-P energy: -121.767 bonds (distance) P-C4' energy: -129.982 flat angles C4'-P-C4' energy: -123.596 flat angles P-C4'-P energy: -75.402 tors. eta vs tors. theta energy: -40.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -921.536134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.536134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.536134 (E_RNA) where: Base-Base interactions energy: -472.981 where: short stacking energy: -237.633 Base-Backbone interact. energy: 2.205 local terms energy: -450.760528 where: bonds (distance) C4'-P energy: -115.457 bonds (distance) P-C4' energy: -137.891 flat angles C4'-P-C4' energy: -108.772 flat angles P-C4'-P energy: -78.545 tors. eta vs tors. theta energy: -10.095 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: 10, replica: 7 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -689.305471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.305471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.305471 (E_RNA) where: Base-Base interactions energy: -253.564 where: short stacking energy: -172.201 Base-Backbone interact. energy: 0.026 local terms energy: -435.767002 where: bonds (distance) C4'-P energy: -141.003 bonds (distance) P-C4' energy: -132.793 flat angles C4'-P-C4' energy: -120.881 flat angles P-C4'-P energy: -71.393 tors. eta vs tors. theta energy: 30.304 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: 1, replica: 8 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -2685.851648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.851648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.851648 (E_RNA) where: Base-Base interactions energy: -1834.408 where: short stacking energy: -780.309 Base-Backbone interact. energy: -7.942 local terms energy: -843.501039 where: bonds (distance) C4'-P energy: -155.957 bonds (distance) P-C4' energy: -167.396 flat angles C4'-P-C4' energy: -186.926 flat angles P-C4'-P energy: -121.171 tors. eta vs tors. theta energy: -212.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -2622.867138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.867138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.867138 (E_RNA) where: Base-Base interactions energy: -1838.265 where: short stacking energy: -744.706 Base-Backbone interact. energy: 0.796 local terms energy: -785.397671 where: bonds (distance) C4'-P energy: -145.908 bonds (distance) P-C4' energy: -159.146 flat angles C4'-P-C4' energy: -162.717 flat angles P-C4'-P energy: -106.515 tors. eta vs tors. theta energy: -211.112 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: 3, replica: 2 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2550.900643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.900643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.900643 (E_RNA) where: Base-Base interactions energy: -1754.420 where: short stacking energy: -735.536 Base-Backbone interact. energy: -4.914 local terms energy: -791.566932 where: bonds (distance) C4'-P energy: -154.325 bonds (distance) P-C4' energy: -149.980 flat angles C4'-P-C4' energy: -186.299 flat angles P-C4'-P energy: -109.583 tors. eta vs tors. theta energy: -191.380 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: 4, replica: 4 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -2328.352336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.352336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.352336 (E_RNA) where: Base-Base interactions energy: -1578.900 where: short stacking energy: -665.110 Base-Backbone interact. energy: -5.777 local terms energy: -743.674600 where: bonds (distance) C4'-P energy: -150.839 bonds (distance) P-C4' energy: -136.438 flat angles C4'-P-C4' energy: -170.517 flat angles P-C4'-P energy: -99.940 tors. eta vs tors. theta energy: -185.940 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: 5 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -2120.281080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.281080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.281080 (E_RNA) where: Base-Base interactions energy: -1390.230 where: short stacking energy: -630.521 Base-Backbone interact. energy: 0.772 local terms energy: -730.823474 where: bonds (distance) C4'-P energy: -127.534 bonds (distance) P-C4' energy: -156.830 flat angles C4'-P-C4' energy: -160.802 flat angles P-C4'-P energy: -104.217 tors. eta vs tors. theta energy: -181.440 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: 6, replica: 6 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1770.431925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.431925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.431925 (E_RNA) where: Base-Base interactions energy: -1150.084 where: short stacking energy: -498.770 Base-Backbone interact. energy: -4.164 local terms energy: -616.183741 where: bonds (distance) C4'-P energy: -135.795 bonds (distance) P-C4' energy: -138.643 flat angles C4'-P-C4' energy: -151.088 flat angles P-C4'-P energy: -86.116 tors. eta vs tors. theta energy: -104.543 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: 10 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1615.573041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.573041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.573041 (E_RNA) where: Base-Base interactions energy: -1057.118 where: short stacking energy: -464.659 Base-Backbone interact. energy: 2.992 local terms energy: -561.446898 where: bonds (distance) C4'-P energy: -137.113 bonds (distance) P-C4' energy: -118.345 flat angles C4'-P-C4' energy: -146.449 flat angles P-C4'-P energy: -63.014 tors. eta vs tors. theta energy: -96.525 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: 3 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1099.305059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.305059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.305059 (E_RNA) where: Base-Base interactions energy: -612.609 where: short stacking energy: -306.359 Base-Backbone interact. energy: 7.807 local terms energy: -494.502634 where: bonds (distance) C4'-P energy: -138.820 bonds (distance) P-C4' energy: -139.985 flat angles C4'-P-C4' energy: -127.932 flat angles P-C4'-P energy: -67.123 tors. eta vs tors. theta energy: -20.643 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: 9, replica: 9 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -817.544266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.544266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.544266 (E_RNA) where: Base-Base interactions energy: -369.826 where: short stacking energy: -220.301 Base-Backbone interact. energy: -1.204 local terms energy: -446.513508 where: bonds (distance) C4'-P energy: -137.071 bonds (distance) P-C4' energy: -133.369 flat angles C4'-P-C4' energy: -115.029 flat angles P-C4'-P energy: -83.425 tors. eta vs tors. theta energy: 22.380 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: 7 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -620.172557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.172557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.172557 (E_RNA) where: Base-Base interactions energy: -232.901 where: short stacking energy: -178.294 Base-Backbone interact. energy: 1.508 local terms energy: -388.780317 where: bonds (distance) C4'-P energy: -113.437 bonds (distance) P-C4' energy: -124.459 flat angles C4'-P-C4' energy: -105.889 flat angles P-C4'-P energy: -61.368 tors. eta vs tors. theta energy: 16.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -2711.575702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.575702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.575702 (E_RNA) where: Base-Base interactions energy: -1862.099 where: short stacking energy: -778.891 Base-Backbone interact. energy: -7.364 local terms energy: -842.112028 where: bonds (distance) C4'-P energy: -148.032 bonds (distance) P-C4' energy: -147.530 flat angles C4'-P-C4' energy: -191.188 flat angles P-C4'-P energy: -124.947 tors. eta vs tors. theta energy: -230.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -2576.451863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.451863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.451863 (E_RNA) where: Base-Base interactions energy: -1784.507 where: short stacking energy: -752.717 Base-Backbone interact. energy: -1.486 local terms energy: -790.458251 where: bonds (distance) C4'-P energy: -156.933 bonds (distance) P-C4' energy: -151.431 flat angles C4'-P-C4' energy: -171.784 flat angles P-C4'-P energy: -112.568 tors. eta vs tors. theta energy: -197.742 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: 2 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -2536.268430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.268430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.268430 (E_RNA) where: Base-Base interactions energy: -1750.932 where: short stacking energy: -713.291 Base-Backbone interact. energy: 2.455 local terms energy: -787.791790 where: bonds (distance) C4'-P energy: -145.673 bonds (distance) P-C4' energy: -153.228 flat angles C4'-P-C4' energy: -166.453 flat angles P-C4'-P energy: -109.464 tors. eta vs tors. theta energy: -212.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -2319.959321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.959321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.959321 (E_RNA) where: Base-Base interactions energy: -1538.856 where: short stacking energy: -674.083 Base-Backbone interact. energy: -6.341 local terms energy: -774.762168 where: bonds (distance) C4'-P energy: -165.561 bonds (distance) P-C4' energy: -141.186 flat angles C4'-P-C4' energy: -170.666 flat angles P-C4'-P energy: -111.320 tors. eta vs tors. theta energy: -186.030 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: 256 Temperature: 1.100000 Total energy: -2073.123259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.123259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.123259 (E_RNA) where: Base-Base interactions energy: -1345.087 where: short stacking energy: -622.790 Base-Backbone interact. energy: -0.443 local terms energy: -727.593421 where: bonds (distance) C4'-P energy: -131.212 bonds (distance) P-C4' energy: -151.573 flat angles C4'-P-C4' energy: -172.264 flat angles P-C4'-P energy: -103.400 tors. eta vs tors. theta energy: -169.144 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: 6 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -1842.464842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.464842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.464842 (E_RNA) where: Base-Base interactions energy: -1221.280 where: short stacking energy: -530.152 Base-Backbone interact. energy: 0.379 local terms energy: -621.564111 where: bonds (distance) C4'-P energy: -112.619 bonds (distance) P-C4' energy: -144.521 flat angles C4'-P-C4' energy: -152.799 flat angles P-C4'-P energy: -86.952 tors. eta vs tors. theta energy: -124.674 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: 10 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1684.139730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.139730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.139730 (E_RNA) where: Base-Base interactions energy: -1101.990 where: short stacking energy: -467.116 Base-Backbone interact. energy: -1.618 local terms energy: -580.531970 where: bonds (distance) C4'-P energy: -146.103 bonds (distance) P-C4' energy: -131.689 flat angles C4'-P-C4' energy: -113.604 flat angles P-C4'-P energy: -85.885 tors. eta vs tors. theta energy: -103.250 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: 3 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1138.959215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.959215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.959215 (E_RNA) where: Base-Base interactions energy: -652.995 where: short stacking energy: -333.217 Base-Backbone interact. energy: 1.266 local terms energy: -487.230211 where: bonds (distance) C4'-P energy: -115.577 bonds (distance) P-C4' energy: -149.243 flat angles C4'-P-C4' energy: -112.286 flat angles P-C4'-P energy: -78.285 tors. eta vs tors. theta energy: -31.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -892.991728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.991728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.991728 (E_RNA) where: Base-Base interactions energy: -436.080 where: short stacking energy: -254.821 Base-Backbone interact. energy: -2.185 local terms energy: -454.726892 where: bonds (distance) C4'-P energy: -136.169 bonds (distance) P-C4' energy: -129.511 flat angles C4'-P-C4' energy: -107.741 flat angles P-C4'-P energy: -70.927 tors. eta vs tors. theta energy: -10.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -604.749213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.749213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.749213 (E_RNA) where: Base-Base interactions energy: -227.080 where: short stacking energy: -174.122 Base-Backbone interact. energy: -2.334 local terms energy: -375.336162 where: bonds (distance) C4'-P energy: -139.361 bonds (distance) P-C4' energy: -120.205 flat angles C4'-P-C4' energy: -86.476 flat angles P-C4'-P energy: -72.755 tors. eta vs tors. theta energy: 43.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -2697.080526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.080526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.080526 (E_RNA) where: Base-Base interactions energy: -1847.923 where: short stacking energy: -756.872 Base-Backbone interact. energy: -6.311 local terms energy: -842.846207 where: bonds (distance) C4'-P energy: -171.439 bonds (distance) P-C4' energy: -156.675 flat angles C4'-P-C4' energy: -180.149 flat angles P-C4'-P energy: -121.183 tors. eta vs tors. theta energy: -213.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -2585.945531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.945531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.945531 (E_RNA) where: Base-Base interactions energy: -1757.694 where: short stacking energy: -702.498 Base-Backbone interact. energy: -0.162 local terms energy: -828.089266 where: bonds (distance) C4'-P energy: -162.620 bonds (distance) P-C4' energy: -166.623 flat angles C4'-P-C4' energy: -176.734 flat angles P-C4'-P energy: -118.068 tors. eta vs tors. theta energy: -204.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2472.561264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.561264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.561264 (E_RNA) where: Base-Base interactions energy: -1714.838 where: short stacking energy: -709.826 Base-Backbone interact. energy: -4.595 local terms energy: -753.128362 where: bonds (distance) C4'-P energy: -142.912 bonds (distance) P-C4' energy: -136.392 flat angles C4'-P-C4' energy: -175.043 flat angles P-C4'-P energy: -102.188 tors. eta vs tors. theta energy: -196.593 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: 4 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -2345.924094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.924094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.924094 (E_RNA) where: Base-Base interactions energy: -1568.786 where: short stacking energy: -644.343 Base-Backbone interact. energy: -3.832 local terms energy: -773.305951 where: bonds (distance) C4'-P energy: -145.206 bonds (distance) P-C4' energy: -149.537 flat angles C4'-P-C4' energy: -178.369 flat angles P-C4'-P energy: -113.944 tors. eta vs tors. theta energy: -186.250 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: 5 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -2103.111085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.111085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.111085 (E_RNA) where: Base-Base interactions energy: -1401.893 where: short stacking energy: -647.753 Base-Backbone interact. energy: -2.399 local terms energy: -698.819792 where: bonds (distance) C4'-P energy: -127.277 bonds (distance) P-C4' energy: -130.127 flat angles C4'-P-C4' energy: -162.752 flat angles P-C4'-P energy: -108.018 tors. eta vs tors. theta energy: -170.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1819.798351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.798351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.798351 (E_RNA) where: Base-Base interactions energy: -1182.449 where: short stacking energy: -513.237 Base-Backbone interact. energy: -1.182 local terms energy: -636.167379 where: bonds (distance) C4'-P energy: -127.000 bonds (distance) P-C4' energy: -134.637 flat angles C4'-P-C4' energy: -149.344 flat angles P-C4'-P energy: -92.134 tors. eta vs tors. theta energy: -133.052 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: 10 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1610.437667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.437667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.437667 (E_RNA) where: Base-Base interactions energy: -1013.268 where: short stacking energy: -448.116 Base-Backbone interact. energy: -3.774 local terms energy: -593.396273 where: bonds (distance) C4'-P energy: -145.493 bonds (distance) P-C4' energy: -153.068 flat angles C4'-P-C4' energy: -110.668 flat angles P-C4'-P energy: -88.159 tors. eta vs tors. theta energy: -96.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1127.281638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.281638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.281638 (E_RNA) where: Base-Base interactions energy: -594.355 where: short stacking energy: -302.762 Base-Backbone interact. energy: -1.881 local terms energy: -531.046361 where: bonds (distance) C4'-P energy: -133.446 bonds (distance) P-C4' energy: -147.046 flat angles C4'-P-C4' energy: -123.814 flat angles P-C4'-P energy: -83.149 tors. eta vs tors. theta energy: -43.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -884.254582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.254582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.254582 (E_RNA) where: Base-Base interactions energy: -434.453 where: short stacking energy: -256.374 Base-Backbone interact. energy: -4.478 local terms energy: -445.323357 where: bonds (distance) C4'-P energy: -101.464 bonds (distance) P-C4' energy: -151.975 flat angles C4'-P-C4' energy: -111.235 flat angles P-C4'-P energy: -66.491 tors. eta vs tors. theta energy: -14.158 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: 7 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -632.761885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.761885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.761885 (E_RNA) where: Base-Base interactions energy: -270.173 where: short stacking energy: -162.281 Base-Backbone interact. energy: -4.324 local terms energy: -358.265520 where: bonds (distance) C4'-P energy: -109.444 bonds (distance) P-C4' energy: -129.540 flat angles C4'-P-C4' energy: -98.066 flat angles P-C4'-P energy: -56.744 tors. eta vs tors. theta energy: 35.528 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: 258 Temperature: 0.900000 Total energy: -2685.290661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.290661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.290661 (E_RNA) where: Base-Base interactions energy: -1821.061 where: short stacking energy: -761.951 Base-Backbone interact. energy: -6.489 local terms energy: -857.740625 where: bonds (distance) C4'-P energy: -140.698 bonds (distance) P-C4' energy: -158.329 flat angles C4'-P-C4' energy: -187.033 flat angles P-C4'-P energy: -147.546 tors. eta vs tors. theta energy: -224.134 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: 1 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2608.030192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.030192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.030192 (E_RNA) where: Base-Base interactions energy: -1780.132 where: short stacking energy: -778.335 Base-Backbone interact. energy: -3.297 local terms energy: -824.600629 where: bonds (distance) C4'-P energy: -153.950 bonds (distance) P-C4' energy: -161.487 flat angles C4'-P-C4' energy: -179.556 flat angles P-C4'-P energy: -110.032 tors. eta vs tors. theta energy: -219.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2494.241675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.241675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.241675 (E_RNA) where: Base-Base interactions energy: -1691.203 where: short stacking energy: -694.187 Base-Backbone interact. energy: 1.054 local terms energy: -804.092740 where: bonds (distance) C4'-P energy: -152.764 bonds (distance) P-C4' energy: -153.904 flat angles C4'-P-C4' energy: -162.626 flat angles P-C4'-P energy: -120.808 tors. eta vs tors. theta energy: -213.990 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: 4, replica: 4 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -2349.219790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.219790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.219790 (E_RNA) where: Base-Base interactions energy: -1581.365 where: short stacking energy: -661.570 Base-Backbone interact. energy: -6.198 local terms energy: -761.657371 where: bonds (distance) C4'-P energy: -147.400 bonds (distance) P-C4' energy: -148.401 flat angles C4'-P-C4' energy: -170.054 flat angles P-C4'-P energy: -103.290 tors. eta vs tors. theta energy: -192.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -2168.422837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.422837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.422837 (E_RNA) where: Base-Base interactions energy: -1456.764 where: short stacking energy: -664.607 Base-Backbone interact. energy: -5.463 local terms energy: -706.196412 where: bonds (distance) C4'-P energy: -122.848 bonds (distance) P-C4' energy: -149.699 flat angles C4'-P-C4' energy: -167.264 flat angles P-C4'-P energy: -89.359 tors. eta vs tors. theta energy: -177.026 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: 6 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1853.536411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.536411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.536411 (E_RNA) where: Base-Base interactions energy: -1214.289 where: short stacking energy: -553.122 Base-Backbone interact. energy: 0.834 local terms energy: -640.080930 where: bonds (distance) C4'-P energy: -132.670 bonds (distance) P-C4' energy: -136.687 flat angles C4'-P-C4' energy: -151.516 flat angles P-C4'-P energy: -88.457 tors. eta vs tors. theta energy: -130.752 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: 10 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1598.073140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.073140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.073140 (E_RNA) where: Base-Base interactions energy: -990.244 where: short stacking energy: -474.027 Base-Backbone interact. energy: -5.791 local terms energy: -602.038114 where: bonds (distance) C4'-P energy: -139.047 bonds (distance) P-C4' energy: -147.544 flat angles C4'-P-C4' energy: -138.360 flat angles P-C4'-P energy: -78.983 tors. eta vs tors. theta energy: -98.104 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: 3 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1180.909358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.909358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.909358 (E_RNA) where: Base-Base interactions energy: -710.228 where: short stacking energy: -333.233 Base-Backbone interact. energy: 2.733 local terms energy: -473.414305 where: bonds (distance) C4'-P energy: -141.649 bonds (distance) P-C4' energy: -108.276 flat angles C4'-P-C4' energy: -141.331 flat angles P-C4'-P energy: -52.149 tors. eta vs tors. theta energy: -30.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -876.355519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.355519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.355519 (E_RNA) where: Base-Base interactions energy: -428.319 where: short stacking energy: -266.470 Base-Backbone interact. energy: -1.955 local terms energy: -446.081167 where: bonds (distance) C4'-P energy: -110.588 bonds (distance) P-C4' energy: -137.441 flat angles C4'-P-C4' energy: -106.353 flat angles P-C4'-P energy: -78.345 tors. eta vs tors. theta energy: -13.354 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: 7 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -629.686009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.686009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.686009 (E_RNA) where: Base-Base interactions energy: -224.578 where: short stacking energy: -162.106 Base-Backbone interact. energy: -0.488 local terms energy: -404.619336 where: bonds (distance) C4'-P energy: -107.255 bonds (distance) P-C4' energy: -142.222 flat angles C4'-P-C4' energy: -103.366 flat angles P-C4'-P energy: -69.977 tors. eta vs tors. theta energy: 18.201 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: 1, replica: 8 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -2741.392681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.392681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.392681 (E_RNA) where: Base-Base interactions energy: -1909.257 where: short stacking energy: -782.630 Base-Backbone interact. energy: -5.498 local terms energy: -826.637432 where: bonds (distance) C4'-P energy: -147.686 bonds (distance) P-C4' energy: -153.430 flat angles C4'-P-C4' energy: -181.193 flat angles P-C4'-P energy: -119.858 tors. eta vs tors. theta energy: -224.471 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: 1 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -2613.750251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.750251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.750251 (E_RNA) where: Base-Base interactions energy: -1820.031 where: short stacking energy: -797.165 Base-Backbone interact. energy: 2.828 local terms energy: -796.546791 where: bonds (distance) C4'-P energy: -142.680 bonds (distance) P-C4' energy: -142.581 flat angles C4'-P-C4' energy: -175.651 flat angles P-C4'-P energy: -106.584 tors. eta vs tors. theta energy: -229.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2476.257642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.257642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.257642 (E_RNA) where: Base-Base interactions energy: -1673.274 where: short stacking energy: -729.702 Base-Backbone interact. energy: -3.328 local terms energy: -799.655442 where: bonds (distance) C4'-P energy: -135.963 bonds (distance) P-C4' energy: -159.410 flat angles C4'-P-C4' energy: -177.038 flat angles P-C4'-P energy: -122.064 tors. eta vs tors. theta energy: -205.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -2298.897610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.897610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.897610 (E_RNA) where: Base-Base interactions energy: -1548.707 where: short stacking energy: -676.290 Base-Backbone interact. energy: -1.617 local terms energy: -748.572911 where: bonds (distance) C4'-P energy: -166.356 bonds (distance) P-C4' energy: -137.278 flat angles C4'-P-C4' energy: -155.808 flat angles P-C4'-P energy: -107.036 tors. eta vs tors. theta energy: -182.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -2124.067065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.067065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.067065 (E_RNA) where: Base-Base interactions energy: -1381.588 where: short stacking energy: -629.465 Base-Backbone interact. energy: 3.033 local terms energy: -745.511757 where: bonds (distance) C4'-P energy: -153.857 bonds (distance) P-C4' energy: -142.254 flat angles C4'-P-C4' energy: -167.440 flat angles P-C4'-P energy: -108.579 tors. eta vs tors. theta energy: -173.382 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: 6 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -1826.683796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.683796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.683796 (E_RNA) where: Base-Base interactions energy: -1175.221 where: short stacking energy: -532.279 Base-Backbone interact. energy: -2.241 local terms energy: -649.221999 where: bonds (distance) C4'-P energy: -141.192 bonds (distance) P-C4' energy: -139.896 flat angles C4'-P-C4' energy: -150.390 flat angles P-C4'-P energy: -81.076 tors. eta vs tors. theta energy: -136.667 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: 10 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1577.308755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.308755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.308755 (E_RNA) where: Base-Base interactions energy: -1028.581 where: short stacking energy: -435.845 Base-Backbone interact. energy: -1.165 local terms energy: -547.562684 where: bonds (distance) C4'-P energy: -131.004 bonds (distance) P-C4' energy: -139.229 flat angles C4'-P-C4' energy: -113.588 flat angles P-C4'-P energy: -77.158 tors. eta vs tors. theta energy: -86.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1196.297072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.297072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.297072 (E_RNA) where: Base-Base interactions energy: -662.526 where: short stacking energy: -297.449 Base-Backbone interact. energy: -2.214 local terms energy: -531.557014 where: bonds (distance) C4'-P energy: -127.878 bonds (distance) P-C4' energy: -145.993 flat angles C4'-P-C4' energy: -138.459 flat angles P-C4'-P energy: -71.764 tors. eta vs tors. theta energy: -47.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -889.323207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.323207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.323207 (E_RNA) where: Base-Base interactions energy: -433.558 where: short stacking energy: -251.680 Base-Backbone interact. energy: -0.439 local terms energy: -455.326068 where: bonds (distance) C4'-P energy: -103.757 bonds (distance) P-C4' energy: -147.830 flat angles C4'-P-C4' energy: -135.967 flat angles P-C4'-P energy: -64.739 tors. eta vs tors. theta energy: -3.034 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: 7 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -651.559841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.559841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.559841 (E_RNA) where: Base-Base interactions energy: -270.967 where: short stacking energy: -168.864 Base-Backbone interact. energy: 0.893 local terms energy: -381.486308 where: bonds (distance) C4'-P energy: -124.647 bonds (distance) P-C4' energy: -136.447 flat angles C4'-P-C4' energy: -94.877 flat angles P-C4'-P energy: -66.402 tors. eta vs tors. theta energy: 40.887 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: 1, replica: 8 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -2727.505540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.505540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.505540 (E_RNA) where: Base-Base interactions energy: -1861.965 where: short stacking energy: -764.015 Base-Backbone interact. energy: -1.926 local terms energy: -863.614528 where: bonds (distance) C4'-P energy: -166.845 bonds (distance) P-C4' energy: -163.614 flat angles C4'-P-C4' energy: -178.914 flat angles P-C4'-P energy: -128.215 tors. eta vs tors. theta energy: -226.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -2605.553650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.553650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.553650 (E_RNA) where: Base-Base interactions energy: -1778.944 where: short stacking energy: -738.779 Base-Backbone interact. energy: 0.135 local terms energy: -826.744230 where: bonds (distance) C4'-P energy: -151.843 bonds (distance) P-C4' energy: -155.946 flat angles C4'-P-C4' energy: -183.380 flat angles P-C4'-P energy: -117.776 tors. eta vs tors. theta energy: -217.799 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: 2 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2491.344618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.344618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.344618 (E_RNA) where: Base-Base interactions energy: -1701.270 where: short stacking energy: -712.052 Base-Backbone interact. energy: -3.604 local terms energy: -786.470006 where: bonds (distance) C4'-P energy: -142.301 bonds (distance) P-C4' energy: -152.871 flat angles C4'-P-C4' energy: -175.686 flat angles P-C4'-P energy: -115.461 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: 260 Temperature: 1.050000 Total energy: -2292.740754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.740754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.740754 (E_RNA) where: Base-Base interactions energy: -1542.026 where: short stacking energy: -645.559 Base-Backbone interact. energy: -1.699 local terms energy: -749.015650 where: bonds (distance) C4'-P energy: -146.260 bonds (distance) P-C4' energy: -152.524 flat angles C4'-P-C4' energy: -154.967 flat angles P-C4'-P energy: -108.321 tors. eta vs tors. theta energy: -186.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -2096.812833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.812833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.812833 (E_RNA) where: Base-Base interactions energy: -1387.536 where: short stacking energy: -607.565 Base-Backbone interact. energy: -1.125 local terms energy: -708.152515 where: bonds (distance) C4'-P energy: -125.352 bonds (distance) P-C4' energy: -162.099 flat angles C4'-P-C4' energy: -164.983 flat angles P-C4'-P energy: -98.337 tors. eta vs tors. theta energy: -157.382 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: 6 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -1796.662514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.662514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.662514 (E_RNA) where: Base-Base interactions energy: -1176.213 where: short stacking energy: -527.202 Base-Backbone interact. energy: 0.300 local terms energy: -620.749472 where: bonds (distance) C4'-P energy: -112.557 bonds (distance) P-C4' energy: -143.449 flat angles C4'-P-C4' energy: -151.735 flat angles P-C4'-P energy: -96.192 tors. eta vs tors. theta energy: -116.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1590.010366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.010366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.010366 (E_RNA) where: Base-Base interactions energy: -973.864 where: short stacking energy: -452.819 Base-Backbone interact. energy: -1.161 local terms energy: -614.984943 where: bonds (distance) C4'-P energy: -132.911 bonds (distance) P-C4' energy: -130.949 flat angles C4'-P-C4' energy: -146.377 flat angles P-C4'-P energy: -91.878 tors. eta vs tors. theta energy: -112.869 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: 8, replica: 3 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1128.308422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.308422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.308422 (E_RNA) where: Base-Base interactions energy: -628.367 where: short stacking energy: -319.543 Base-Backbone interact. energy: 0.574 local terms energy: -500.515748 where: bonds (distance) C4'-P energy: -126.729 bonds (distance) P-C4' energy: -146.301 flat angles C4'-P-C4' energy: -118.153 flat angles P-C4'-P energy: -74.788 tors. eta vs tors. theta energy: -34.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -941.096042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.096042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.096042 (E_RNA) where: Base-Base interactions energy: -459.412 where: short stacking energy: -256.660 Base-Backbone interact. energy: -0.681 local terms energy: -481.002771 where: bonds (distance) C4'-P energy: -129.557 bonds (distance) P-C4' energy: -148.173 flat angles C4'-P-C4' energy: -126.552 flat angles P-C4'-P energy: -83.282 tors. eta vs tors. theta energy: 6.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -642.215125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.215125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.215125 (E_RNA) where: Base-Base interactions energy: -245.517 where: short stacking energy: -191.775 Base-Backbone interact. energy: 0.576 local terms energy: -397.274377 where: bonds (distance) C4'-P energy: -130.602 bonds (distance) P-C4' energy: -134.381 flat angles C4'-P-C4' energy: -71.074 flat angles P-C4'-P energy: -64.087 tors. eta vs tors. theta energy: 2.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -2715.466987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.466987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.466987 (E_RNA) where: Base-Base interactions energy: -1848.597 where: short stacking energy: -784.639 Base-Backbone interact. energy: -5.117 local terms energy: -861.753094 where: bonds (distance) C4'-P energy: -167.623 bonds (distance) P-C4' energy: -164.575 flat angles C4'-P-C4' energy: -176.225 flat angles P-C4'-P energy: -117.170 tors. eta vs tors. theta energy: -236.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2598.669262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.669262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.669262 (E_RNA) where: Base-Base interactions energy: -1803.922 where: short stacking energy: -737.209 Base-Backbone interact. energy: -3.169 local terms energy: -791.577817 where: bonds (distance) C4'-P energy: -144.075 bonds (distance) P-C4' energy: -154.914 flat angles C4'-P-C4' energy: -180.899 flat angles P-C4'-P energy: -104.671 tors. eta vs tors. theta energy: -207.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -2496.612889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.612889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.612889 (E_RNA) where: Base-Base interactions energy: -1712.711 where: short stacking energy: -723.705 Base-Backbone interact. energy: -3.212 local terms energy: -780.689251 where: bonds (distance) C4'-P energy: -145.133 bonds (distance) P-C4' energy: -158.604 flat angles C4'-P-C4' energy: -166.313 flat angles P-C4'-P energy: -104.808 tors. eta vs tors. theta energy: -205.832 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: 4, replica: 4 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -2311.848417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.848417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.848417 (E_RNA) where: Base-Base interactions energy: -1562.773 where: short stacking energy: -662.614 Base-Backbone interact. energy: -5.014 local terms energy: -744.060959 where: bonds (distance) C4'-P energy: -148.842 bonds (distance) P-C4' energy: -136.096 flat angles C4'-P-C4' energy: -176.926 flat angles P-C4'-P energy: -87.654 tors. eta vs tors. theta energy: -194.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -2143.184978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.184978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.184978 (E_RNA) where: Base-Base interactions energy: -1428.319 where: short stacking energy: -655.008 Base-Backbone interact. energy: 1.603 local terms energy: -716.468512 where: bonds (distance) C4'-P energy: -131.718 bonds (distance) P-C4' energy: -142.905 flat angles C4'-P-C4' energy: -164.344 flat angles P-C4'-P energy: -102.218 tors. eta vs tors. theta energy: -175.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1736.111091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.111091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.111091 (E_RNA) where: Base-Base interactions energy: -1084.835 where: short stacking energy: -536.974 Base-Backbone interact. energy: -1.672 local terms energy: -649.604432 where: bonds (distance) C4'-P energy: -146.402 bonds (distance) P-C4' energy: -140.157 flat angles C4'-P-C4' energy: -166.213 flat angles P-C4'-P energy: -74.778 tors. eta vs tors. theta energy: -122.053 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: 10 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1571.676320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.676320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.676320 (E_RNA) where: Base-Base interactions energy: -961.362 where: short stacking energy: -442.689 Base-Backbone interact. energy: -3.140 local terms energy: -607.174323 where: bonds (distance) C4'-P energy: -149.499 bonds (distance) P-C4' energy: -141.228 flat angles C4'-P-C4' energy: -146.015 flat angles P-C4'-P energy: -77.206 tors. eta vs tors. theta energy: -93.227 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: 3 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1199.434246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.434246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.434246 (E_RNA) where: Base-Base interactions energy: -681.922 where: short stacking energy: -342.349 Base-Backbone interact. energy: -1.855 local terms energy: -515.657209 where: bonds (distance) C4'-P energy: -129.946 bonds (distance) P-C4' energy: -129.422 flat angles C4'-P-C4' energy: -110.940 flat angles P-C4'-P energy: -90.194 tors. eta vs tors. theta energy: -55.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -941.759879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.759879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.759879 (E_RNA) where: Base-Base interactions energy: -485.578 where: short stacking energy: -284.081 Base-Backbone interact. energy: 2.781 local terms energy: -458.963731 where: bonds (distance) C4'-P energy: -121.806 bonds (distance) P-C4' energy: -135.300 flat angles C4'-P-C4' energy: -122.905 flat angles P-C4'-P energy: -69.443 tors. eta vs tors. theta energy: -9.509 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: 10, replica: 7 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -609.005367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.005367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.005367 (E_RNA) where: Base-Base interactions energy: -175.991 where: short stacking energy: -144.381 Base-Backbone interact. energy: 0.491 local terms energy: -433.505152 where: bonds (distance) C4'-P energy: -145.924 bonds (distance) P-C4' energy: -139.048 flat angles C4'-P-C4' energy: -122.268 flat angles P-C4'-P energy: -63.767 tors. eta vs tors. theta energy: 37.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -2720.134209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.134209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.134209 (E_RNA) where: Base-Base interactions energy: -1865.643 where: short stacking energy: -795.979 Base-Backbone interact. energy: -6.952 local terms energy: -847.538893 where: bonds (distance) C4'-P energy: -165.910 bonds (distance) P-C4' energy: -156.065 flat angles C4'-P-C4' energy: -176.076 flat angles P-C4'-P energy: -117.320 tors. eta vs tors. theta energy: -232.169 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: 1 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -2644.587203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.587203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.587203 (E_RNA) where: Base-Base interactions energy: -1823.142 where: short stacking energy: -746.540 Base-Backbone interact. energy: 0.017 local terms energy: -821.462191 where: bonds (distance) C4'-P energy: -145.935 bonds (distance) P-C4' energy: -173.007 flat angles C4'-P-C4' energy: -164.517 flat angles P-C4'-P energy: -117.869 tors. eta vs tors. theta energy: -220.134 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: 2 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2475.109960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.109960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.109960 (E_RNA) where: Base-Base interactions energy: -1678.113 where: short stacking energy: -745.980 Base-Backbone interact. energy: -4.449 local terms energy: -792.547960 where: bonds (distance) C4'-P energy: -137.403 bonds (distance) P-C4' energy: -160.457 flat angles C4'-P-C4' energy: -177.840 flat angles P-C4'-P energy: -100.958 tors. eta vs tors. theta energy: -215.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -2333.511175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.511175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.511175 (E_RNA) where: Base-Base interactions energy: -1553.824 where: short stacking energy: -671.217 Base-Backbone interact. energy: -3.531 local terms energy: -776.156215 where: bonds (distance) C4'-P energy: -140.778 bonds (distance) P-C4' energy: -146.599 flat angles C4'-P-C4' energy: -186.287 flat angles P-C4'-P energy: -102.153 tors. eta vs tors. theta energy: -200.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -2087.795441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.795441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.795441 (E_RNA) where: Base-Base interactions energy: -1384.655 where: short stacking energy: -604.263 Base-Backbone interact. energy: 2.031 local terms energy: -705.171512 where: bonds (distance) C4'-P energy: -133.106 bonds (distance) P-C4' energy: -129.153 flat angles C4'-P-C4' energy: -173.461 flat angles P-C4'-P energy: -109.499 tors. eta vs tors. theta energy: -159.953 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: 6 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1760.054727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.054727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.054727 (E_RNA) where: Base-Base interactions energy: -1137.747 where: short stacking energy: -515.779 Base-Backbone interact. energy: -2.089 local terms energy: -620.218680 where: bonds (distance) C4'-P energy: -121.221 bonds (distance) P-C4' energy: -149.484 flat angles C4'-P-C4' energy: -147.626 flat angles P-C4'-P energy: -84.361 tors. eta vs tors. theta energy: -117.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1598.118459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.118459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.118459 (E_RNA) where: Base-Base interactions energy: -990.225 where: short stacking energy: -467.815 Base-Backbone interact. energy: -1.452 local terms energy: -606.440548 where: bonds (distance) C4'-P energy: -133.512 bonds (distance) P-C4' energy: -160.438 flat angles C4'-P-C4' energy: -121.818 flat angles P-C4'-P energy: -94.906 tors. eta vs tors. theta energy: -95.767 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: 3 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -1125.916195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.916195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.916195 (E_RNA) where: Base-Base interactions energy: -651.059 where: short stacking energy: -341.838 Base-Backbone interact. energy: -3.469 local terms energy: -471.387937 where: bonds (distance) C4'-P energy: -104.371 bonds (distance) P-C4' energy: -130.826 flat angles C4'-P-C4' energy: -116.349 flat angles P-C4'-P energy: -78.458 tors. eta vs tors. theta energy: -41.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -882.116934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.116934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.116934 (E_RNA) where: Base-Base interactions energy: -425.945 where: short stacking energy: -270.761 Base-Backbone interact. energy: -0.070 local terms energy: -456.102002 where: bonds (distance) C4'-P energy: -117.977 bonds (distance) P-C4' energy: -123.638 flat angles C4'-P-C4' energy: -120.628 flat angles P-C4'-P energy: -77.612 tors. eta vs tors. theta energy: -16.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -614.196987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.196987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.196987 (E_RNA) where: Base-Base interactions energy: -229.757 where: short stacking energy: -187.485 Base-Backbone interact. energy: 0.929 local terms energy: -385.368986 where: bonds (distance) C4'-P energy: -147.540 bonds (distance) P-C4' energy: -125.630 flat angles C4'-P-C4' energy: -72.654 flat angles P-C4'-P energy: -49.537 tors. eta vs tors. theta energy: 9.992 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: 8 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -2712.725968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.725968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.725968 (E_RNA) where: Base-Base interactions energy: -1862.787 where: short stacking energy: -765.426 Base-Backbone interact. energy: -4.771 local terms energy: -845.167797 where: bonds (distance) C4'-P energy: -156.599 bonds (distance) P-C4' energy: -166.741 flat angles C4'-P-C4' energy: -176.720 flat angles P-C4'-P energy: -118.077 tors. eta vs tors. theta energy: -227.031 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: 1 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2629.534924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.534924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.534924 (E_RNA) where: Base-Base interactions energy: -1779.070 where: short stacking energy: -750.450 Base-Backbone interact. energy: -0.003 local terms energy: -850.462070 where: bonds (distance) C4'-P energy: -154.859 bonds (distance) P-C4' energy: -154.556 flat angles C4'-P-C4' energy: -188.653 flat angles P-C4'-P energy: -125.083 tors. eta vs tors. theta energy: -227.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2466.493732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.493732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.493732 (E_RNA) where: Base-Base interactions energy: -1685.833 where: short stacking energy: -740.049 Base-Backbone interact. energy: -0.033 local terms energy: -780.628055 where: bonds (distance) C4'-P energy: -140.138 bonds (distance) P-C4' energy: -155.386 flat angles C4'-P-C4' energy: -174.842 flat angles P-C4'-P energy: -109.113 tors. eta vs tors. theta energy: -201.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -2287.778419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.778419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.778419 (E_RNA) where: Base-Base interactions energy: -1545.002 where: short stacking energy: -646.301 Base-Backbone interact. energy: -6.048 local terms energy: -736.728769 where: bonds (distance) C4'-P energy: -141.333 bonds (distance) P-C4' energy: -143.084 flat angles C4'-P-C4' energy: -169.340 flat angles P-C4'-P energy: -108.165 tors. eta vs tors. theta energy: -174.807 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: 263 Temperature: 1.100000 Total energy: -2099.378849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.378849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.378849 (E_RNA) where: Base-Base interactions energy: -1393.872 where: short stacking energy: -602.908 Base-Backbone interact. energy: -1.744 local terms energy: -703.762663 where: bonds (distance) C4'-P energy: -136.198 bonds (distance) P-C4' energy: -150.960 flat angles C4'-P-C4' energy: -160.151 flat angles P-C4'-P energy: -94.410 tors. eta vs tors. theta energy: -162.044 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: 6 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1803.766428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.766428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.766428 (E_RNA) where: Base-Base interactions energy: -1141.649 where: short stacking energy: -511.575 Base-Backbone interact. energy: -0.388 local terms energy: -661.729673 where: bonds (distance) C4'-P energy: -163.106 bonds (distance) P-C4' energy: -162.057 flat angles C4'-P-C4' energy: -133.705 flat angles P-C4'-P energy: -83.157 tors. eta vs tors. theta energy: -119.704 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: 10 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1591.974546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.974546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.974546 (E_RNA) where: Base-Base interactions energy: -1013.094 where: short stacking energy: -424.737 Base-Backbone interact. energy: 0.046 local terms energy: -578.926065 where: bonds (distance) C4'-P energy: -148.180 bonds (distance) P-C4' energy: -135.093 flat angles C4'-P-C4' energy: -134.384 flat angles P-C4'-P energy: -77.280 tors. eta vs tors. theta energy: -83.989 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: 8, replica: 3 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -1267.925613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.925613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.925613 (E_RNA) where: Base-Base interactions energy: -744.789 where: short stacking energy: -360.580 Base-Backbone interact. energy: 1.673 local terms energy: -524.810401 where: bonds (distance) C4'-P energy: -149.995 bonds (distance) P-C4' energy: -128.315 flat angles C4'-P-C4' energy: -109.735 flat angles P-C4'-P energy: -89.513 tors. eta vs tors. theta energy: -47.252 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: 263 Temperature: 1.300000 Total energy: -875.897085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.897085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.897085 (E_RNA) where: Base-Base interactions energy: -371.867 where: short stacking energy: -237.196 Base-Backbone interact. energy: -1.834 local terms energy: -502.196550 where: bonds (distance) C4'-P energy: -167.284 bonds (distance) P-C4' energy: -135.309 flat angles C4'-P-C4' energy: -134.847 flat angles P-C4'-P energy: -58.521 tors. eta vs tors. theta energy: -6.236 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: 10, replica: 7 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -610.965570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.965570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.965570 (E_RNA) where: Base-Base interactions energy: -245.091 where: short stacking energy: -192.698 Base-Backbone interact. energy: -2.272 local terms energy: -363.603168 where: bonds (distance) C4'-P energy: -112.416 bonds (distance) P-C4' energy: -125.119 flat angles C4'-P-C4' energy: -88.722 flat angles P-C4'-P energy: -59.618 tors. eta vs tors. theta energy: 22.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -2701.485753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.485753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.485753 (E_RNA) where: Base-Base interactions energy: -1836.644 where: short stacking energy: -757.493 Base-Backbone interact. energy: -8.260 local terms energy: -856.582400 where: bonds (distance) C4'-P energy: -163.343 bonds (distance) P-C4' energy: -165.606 flat angles C4'-P-C4' energy: -180.784 flat angles P-C4'-P energy: -114.131 tors. eta vs tors. theta energy: -232.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -2593.761954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.761954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.761954 (E_RNA) where: Base-Base interactions energy: -1774.343 where: short stacking energy: -765.149 Base-Backbone interact. energy: 0.278 local terms energy: -819.697032 where: bonds (distance) C4'-P energy: -158.010 bonds (distance) P-C4' energy: -143.133 flat angles C4'-P-C4' energy: -164.471 flat angles P-C4'-P energy: -118.474 tors. eta vs tors. theta energy: -235.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -2506.769873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.769873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.769873 (E_RNA) where: Base-Base interactions energy: -1711.159 where: short stacking energy: -735.374 Base-Backbone interact. energy: -2.406 local terms energy: -793.204457 where: bonds (distance) C4'-P energy: -154.968 bonds (distance) P-C4' energy: -151.501 flat angles C4'-P-C4' energy: -173.907 flat angles P-C4'-P energy: -108.242 tors. eta vs tors. theta energy: -204.587 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: 4 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -2345.740323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.740323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.740323 (E_RNA) where: Base-Base interactions energy: -1579.949 where: short stacking energy: -687.468 Base-Backbone interact. energy: -1.236 local terms energy: -764.555478 where: bonds (distance) C4'-P energy: -138.912 bonds (distance) P-C4' energy: -153.947 flat angles C4'-P-C4' energy: -168.477 flat angles P-C4'-P energy: -115.552 tors. eta vs tors. theta energy: -187.667 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: 5, replica: 5 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -2086.900791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.900791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.900791 (E_RNA) where: Base-Base interactions energy: -1403.941 where: short stacking energy: -634.864 Base-Backbone interact. energy: -3.094 local terms energy: -679.865219 where: bonds (distance) C4'-P energy: -117.586 bonds (distance) P-C4' energy: -138.588 flat angles C4'-P-C4' energy: -148.306 flat angles P-C4'-P energy: -109.279 tors. eta vs tors. theta energy: -166.106 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: 6 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -1773.884621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.884621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.884621 (E_RNA) where: Base-Base interactions energy: -1145.145 where: short stacking energy: -535.398 Base-Backbone interact. energy: -0.622 local terms energy: -628.118465 where: bonds (distance) C4'-P energy: -152.367 bonds (distance) P-C4' energy: -125.261 flat angles C4'-P-C4' energy: -158.008 flat angles P-C4'-P energy: -68.628 tors. eta vs tors. theta energy: -123.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1544.158068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.158068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.158068 (E_RNA) where: Base-Base interactions energy: -979.678 where: short stacking energy: -425.540 Base-Backbone interact. energy: 1.025 local terms energy: -565.504625 where: bonds (distance) C4'-P energy: -143.080 bonds (distance) P-C4' energy: -125.844 flat angles C4'-P-C4' energy: -128.468 flat angles P-C4'-P energy: -93.583 tors. eta vs tors. theta energy: -74.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1253.887789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.887789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.887789 (E_RNA) where: Base-Base interactions energy: -726.285 where: short stacking energy: -343.998 Base-Backbone interact. energy: -1.036 local terms energy: -526.566799 where: bonds (distance) C4'-P energy: -127.714 bonds (distance) P-C4' energy: -146.886 flat angles C4'-P-C4' energy: -138.217 flat angles P-C4'-P energy: -70.550 tors. eta vs tors. theta energy: -43.200 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: 9, replica: 9 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -833.193730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.193730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.193730 (E_RNA) where: Base-Base interactions energy: -398.013 where: short stacking energy: -261.677 Base-Backbone interact. energy: 2.236 local terms energy: -437.416792 where: bonds (distance) C4'-P energy: -111.134 bonds (distance) P-C4' energy: -146.117 flat angles C4'-P-C4' energy: -107.849 flat angles P-C4'-P energy: -69.358 tors. eta vs tors. theta energy: -2.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -615.229121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.229121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.229121 (E_RNA) where: Base-Base interactions energy: -208.698 where: short stacking energy: -164.171 Base-Backbone interact. energy: 7.333 local terms energy: -413.864249 where: bonds (distance) C4'-P energy: -130.647 bonds (distance) P-C4' energy: -116.670 flat angles C4'-P-C4' energy: -124.962 flat angles P-C4'-P energy: -80.136 tors. eta vs tors. theta energy: 38.552 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: 1, replica: 8 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -2714.116689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.116689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.116689 (E_RNA) where: Base-Base interactions energy: -1850.212 where: short stacking energy: -777.641 Base-Backbone interact. energy: -6.770 local terms energy: -857.134633 where: bonds (distance) C4'-P energy: -149.556 bonds (distance) P-C4' energy: -162.828 flat angles C4'-P-C4' energy: -189.968 flat angles P-C4'-P energy: -114.173 tors. eta vs tors. theta energy: -240.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -2610.070518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.070518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.070518 (E_RNA) where: Base-Base interactions energy: -1820.661 where: short stacking energy: -770.499 Base-Backbone interact. energy: -2.257 local terms energy: -787.152386 where: bonds (distance) C4'-P energy: -155.063 bonds (distance) P-C4' energy: -140.015 flat angles C4'-P-C4' energy: -158.751 flat angles P-C4'-P energy: -116.208 tors. eta vs tors. theta energy: -217.115 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: 3, replica: 2 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -2502.521831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.521831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.521831 (E_RNA) where: Base-Base interactions energy: -1725.834 where: short stacking energy: -725.397 Base-Backbone interact. energy: -1.760 local terms energy: -774.928074 where: bonds (distance) C4'-P energy: -141.826 bonds (distance) P-C4' energy: -148.861 flat angles C4'-P-C4' energy: -171.825 flat angles P-C4'-P energy: -107.727 tors. eta vs tors. theta energy: -204.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -2304.617981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.617981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.617981 (E_RNA) where: Base-Base interactions energy: -1547.522 where: short stacking energy: -646.059 Base-Backbone interact. energy: -4.225 local terms energy: -752.870925 where: bonds (distance) C4'-P energy: -140.846 bonds (distance) P-C4' energy: -143.006 flat angles C4'-P-C4' energy: -177.210 flat angles P-C4'-P energy: -107.406 tors. eta vs tors. theta energy: -184.403 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: 265 Temperature: 1.100000 Total energy: -2112.089683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.089683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.089683 (E_RNA) where: Base-Base interactions energy: -1377.285 where: short stacking energy: -599.180 Base-Backbone interact. energy: -4.614 local terms energy: -730.190650 where: bonds (distance) C4'-P energy: -150.807 bonds (distance) P-C4' energy: -149.695 flat angles C4'-P-C4' energy: -164.555 flat angles P-C4'-P energy: -91.494 tors. eta vs tors. theta energy: -173.640 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: 6 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1786.586802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.586802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.586802 (E_RNA) where: Base-Base interactions energy: -1144.747 where: short stacking energy: -530.085 Base-Backbone interact. energy: 3.705 local terms energy: -645.544305 where: bonds (distance) C4'-P energy: -129.808 bonds (distance) P-C4' energy: -160.198 flat angles C4'-P-C4' energy: -155.138 flat angles P-C4'-P energy: -84.836 tors. eta vs tors. theta energy: -115.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1509.328651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.328651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.328651 (E_RNA) where: Base-Base interactions energy: -933.600 where: short stacking energy: -425.009 Base-Backbone interact. energy: 1.013 local terms energy: -576.741695 where: bonds (distance) C4'-P energy: -141.294 bonds (distance) P-C4' energy: -152.117 flat angles C4'-P-C4' energy: -118.706 flat angles P-C4'-P energy: -91.929 tors. eta vs tors. theta energy: -72.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1171.720794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.720794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.720794 (E_RNA) where: Base-Base interactions energy: -655.854 where: short stacking energy: -355.068 Base-Backbone interact. energy: 1.798 local terms energy: -517.665133 where: bonds (distance) C4'-P energy: -142.141 bonds (distance) P-C4' energy: -140.624 flat angles C4'-P-C4' energy: -134.974 flat angles P-C4'-P energy: -53.417 tors. eta vs tors. theta energy: -46.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -797.050344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.050344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.050344 (E_RNA) where: Base-Base interactions energy: -354.884 where: short stacking energy: -205.502 Base-Backbone interact. energy: 4.290 local terms energy: -446.456144 where: bonds (distance) C4'-P energy: -117.844 bonds (distance) P-C4' energy: -147.344 flat angles C4'-P-C4' energy: -123.424 flat angles P-C4'-P energy: -79.089 tors. eta vs tors. theta energy: 21.246 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: 10, replica: 7 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -593.346879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.346879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.346879 (E_RNA) where: Base-Base interactions energy: -203.104 where: short stacking energy: -139.076 Base-Backbone interact. energy: -0.334 local terms energy: -389.908921 where: bonds (distance) C4'-P energy: -149.196 bonds (distance) P-C4' energy: -127.515 flat angles C4'-P-C4' energy: -113.955 flat angles P-C4'-P energy: -61.282 tors. eta vs tors. theta energy: 62.041 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: 266 Temperature: 0.900000 Total energy: -2691.414545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.414545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.414545 (E_RNA) where: Base-Base interactions energy: -1834.060 where: short stacking energy: -776.226 Base-Backbone interact. energy: -7.859 local terms energy: -849.495157 where: bonds (distance) C4'-P energy: -149.202 bonds (distance) P-C4' energy: -174.392 flat angles C4'-P-C4' energy: -165.563 flat angles P-C4'-P energy: -121.655 tors. eta vs tors. theta energy: -238.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2651.433260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.433260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.433260 (E_RNA) where: Base-Base interactions energy: -1817.126 where: short stacking energy: -774.424 Base-Backbone interact. energy: -4.769 local terms energy: -829.538196 where: bonds (distance) C4'-P energy: -151.965 bonds (distance) P-C4' energy: -171.274 flat angles C4'-P-C4' energy: -180.382 flat angles P-C4'-P energy: -107.249 tors. eta vs tors. theta energy: -218.668 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: 2 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -2502.815404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.815404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.815404 (E_RNA) where: Base-Base interactions energy: -1701.668 where: short stacking energy: -756.038 Base-Backbone interact. energy: -1.751 local terms energy: -799.395609 where: bonds (distance) C4'-P energy: -121.280 bonds (distance) P-C4' energy: -150.449 flat angles C4'-P-C4' energy: -186.908 flat angles P-C4'-P energy: -113.083 tors. eta vs tors. theta energy: -227.676 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: 4 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -2304.929563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.929563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.929563 (E_RNA) where: Base-Base interactions energy: -1546.050 where: short stacking energy: -674.561 Base-Backbone interact. energy: -0.649 local terms energy: -758.230472 where: bonds (distance) C4'-P energy: -127.352 bonds (distance) P-C4' energy: -165.959 flat angles C4'-P-C4' energy: -170.632 flat angles P-C4'-P energy: -93.442 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: 5, replica: 5 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -2094.993206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.993206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.993206 (E_RNA) where: Base-Base interactions energy: -1378.510 where: short stacking energy: -618.977 Base-Backbone interact. energy: -0.075 local terms energy: -716.407728 where: bonds (distance) C4'-P energy: -143.549 bonds (distance) P-C4' energy: -158.994 flat angles C4'-P-C4' energy: -150.801 flat angles P-C4'-P energy: -106.135 tors. eta vs tors. theta energy: -156.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1784.631469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.631469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.631469 (E_RNA) where: Base-Base interactions energy: -1131.153 where: short stacking energy: -495.036 Base-Backbone interact. energy: -3.772 local terms energy: -649.706334 where: bonds (distance) C4'-P energy: -144.712 bonds (distance) P-C4' energy: -143.103 flat angles C4'-P-C4' energy: -147.763 flat angles P-C4'-P energy: -84.540 tors. eta vs tors. theta energy: -129.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1560.796379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.796379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.796379 (E_RNA) where: Base-Base interactions energy: -995.599 where: short stacking energy: -487.096 Base-Backbone interact. energy: -3.012 local terms energy: -562.185387 where: bonds (distance) C4'-P energy: -120.516 bonds (distance) P-C4' energy: -140.811 flat angles C4'-P-C4' energy: -126.113 flat angles P-C4'-P energy: -76.707 tors. eta vs tors. theta energy: -98.038 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: 8, replica: 3 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1283.638307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.638307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.638307 (E_RNA) where: Base-Base interactions energy: -750.999 where: short stacking energy: -338.944 Base-Backbone interact. energy: -1.152 local terms energy: -531.486923 where: bonds (distance) C4'-P energy: -122.193 bonds (distance) P-C4' energy: -134.967 flat angles C4'-P-C4' energy: -134.281 flat angles P-C4'-P energy: -88.267 tors. eta vs tors. theta energy: -51.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -774.760824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.760824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.760824 (E_RNA) where: Base-Base interactions energy: -333.308 where: short stacking energy: -235.922 Base-Backbone interact. energy: 7.378 local terms energy: -448.831634 where: bonds (distance) C4'-P energy: -122.414 bonds (distance) P-C4' energy: -126.518 flat angles C4'-P-C4' energy: -134.807 flat angles P-C4'-P energy: -60.635 tors. eta vs tors. theta energy: -4.458 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: 10, replica: 7 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -668.167521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.167521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.167521 (E_RNA) where: Base-Base interactions energy: -260.112 where: short stacking energy: -178.778 Base-Backbone interact. energy: -2.006 local terms energy: -406.049080 where: bonds (distance) C4'-P energy: -112.775 bonds (distance) P-C4' energy: -147.992 flat angles C4'-P-C4' energy: -84.848 flat angles P-C4'-P energy: -77.248 tors. eta vs tors. theta energy: 16.815 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: 8 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -2716.828758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.828758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.828758 (E_RNA) where: Base-Base interactions energy: -1877.268 where: short stacking energy: -766.052 Base-Backbone interact. energy: -10.538 local terms energy: -829.022063 where: bonds (distance) C4'-P energy: -153.984 bonds (distance) P-C4' energy: -148.623 flat angles C4'-P-C4' energy: -172.403 flat angles P-C4'-P energy: -125.581 tors. eta vs tors. theta energy: -228.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -2646.227939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.227939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.227939 (E_RNA) where: Base-Base interactions energy: -1811.597 where: short stacking energy: -775.177 Base-Backbone interact. energy: -0.078 local terms energy: -834.553287 where: bonds (distance) C4'-P energy: -149.098 bonds (distance) P-C4' energy: -155.772 flat angles C4'-P-C4' energy: -171.876 flat angles P-C4'-P energy: -135.713 tors. eta vs tors. theta energy: -222.094 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: 2 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2462.168919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.168919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.168919 (E_RNA) where: Base-Base interactions energy: -1666.775 where: short stacking energy: -715.536 Base-Backbone interact. energy: -2.672 local terms energy: -792.722155 where: bonds (distance) C4'-P energy: -167.517 bonds (distance) P-C4' energy: -156.562 flat angles C4'-P-C4' energy: -161.748 flat angles P-C4'-P energy: -109.450 tors. eta vs tors. theta energy: -197.445 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: 4 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -2321.392847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.392847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.392847 (E_RNA) where: Base-Base interactions energy: -1576.058 where: short stacking energy: -683.479 Base-Backbone interact. energy: -4.164 local terms energy: -741.170695 where: bonds (distance) C4'-P energy: -142.675 bonds (distance) P-C4' energy: -143.083 flat angles C4'-P-C4' energy: -157.352 flat angles P-C4'-P energy: -118.955 tors. eta vs tors. theta energy: -179.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -2060.532235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.532235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.532235 (E_RNA) where: Base-Base interactions energy: -1349.373 where: short stacking energy: -622.568 Base-Backbone interact. energy: -2.620 local terms energy: -708.539379 where: bonds (distance) C4'-P energy: -158.128 bonds (distance) P-C4' energy: -141.359 flat angles C4'-P-C4' energy: -143.279 flat angles P-C4'-P energy: -110.165 tors. eta vs tors. theta energy: -155.608 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: 6 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -1804.612431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.612431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.612431 (E_RNA) where: Base-Base interactions energy: -1164.441 where: short stacking energy: -517.279 Base-Backbone interact. energy: -2.578 local terms energy: -637.593183 where: bonds (distance) C4'-P energy: -130.193 bonds (distance) P-C4' energy: -138.813 flat angles C4'-P-C4' energy: -140.128 flat angles P-C4'-P energy: -93.573 tors. eta vs tors. theta energy: -134.887 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: 10 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1613.320451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.320451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.320451 (E_RNA) where: Base-Base interactions energy: -1021.581 where: short stacking energy: -447.697 Base-Backbone interact. energy: 0.150 local terms energy: -591.889987 where: bonds (distance) C4'-P energy: -136.106 bonds (distance) P-C4' energy: -148.333 flat angles C4'-P-C4' energy: -149.060 flat angles P-C4'-P energy: -70.111 tors. eta vs tors. theta energy: -88.279 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: 8, replica: 3 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1287.168787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.168787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.168787 (E_RNA) where: Base-Base interactions energy: -719.439 where: short stacking energy: -374.098 Base-Backbone interact. energy: -2.103 local terms energy: -565.626814 where: bonds (distance) C4'-P energy: -148.143 bonds (distance) P-C4' energy: -146.142 flat angles C4'-P-C4' energy: -140.179 flat angles P-C4'-P energy: -75.732 tors. eta vs tors. theta energy: -55.431 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: 9 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -778.969236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.969236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.969236 (E_RNA) where: Base-Base interactions energy: -315.246 where: short stacking energy: -241.325 Base-Backbone interact. energy: -1.756 local terms energy: -461.967779 where: bonds (distance) C4'-P energy: -143.440 bonds (distance) P-C4' energy: -120.757 flat angles C4'-P-C4' energy: -115.553 flat angles P-C4'-P energy: -85.499 tors. eta vs tors. theta energy: 3.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -679.579846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.579846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.579846 (E_RNA) where: Base-Base interactions energy: -260.870 where: short stacking energy: -188.587 Base-Backbone interact. energy: 2.236 local terms energy: -420.946061 where: bonds (distance) C4'-P energy: -128.336 bonds (distance) P-C4' energy: -134.227 flat angles C4'-P-C4' energy: -102.871 flat angles P-C4'-P energy: -63.698 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: 8 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -2750.317923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.317923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.317923 (E_RNA) where: Base-Base interactions energy: -1873.658 where: short stacking energy: -777.334 Base-Backbone interact. energy: -5.536 local terms energy: -871.124161 where: bonds (distance) C4'-P energy: -170.709 bonds (distance) P-C4' energy: -158.378 flat angles C4'-P-C4' energy: -185.378 flat angles P-C4'-P energy: -122.068 tors. eta vs tors. theta energy: -234.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -2583.390461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.390461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.390461 (E_RNA) where: Base-Base interactions energy: -1749.168 where: short stacking energy: -739.463 Base-Backbone interact. energy: -0.883 local terms energy: -833.339347 where: bonds (distance) C4'-P energy: -156.896 bonds (distance) P-C4' energy: -156.137 flat angles C4'-P-C4' energy: -176.071 flat angles P-C4'-P energy: -122.511 tors. eta vs tors. theta energy: -221.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2444.220846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.220846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.220846 (E_RNA) where: Base-Base interactions energy: -1656.955 where: short stacking energy: -713.128 Base-Backbone interact. energy: -2.474 local terms energy: -784.792106 where: bonds (distance) C4'-P energy: -155.138 bonds (distance) P-C4' energy: -153.723 flat angles C4'-P-C4' energy: -175.614 flat angles P-C4'-P energy: -100.753 tors. eta vs tors. theta energy: -199.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -2320.131634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.131634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.131634 (E_RNA) where: Base-Base interactions energy: -1554.187 where: short stacking energy: -686.333 Base-Backbone interact. energy: -4.163 local terms energy: -761.781836 where: bonds (distance) C4'-P energy: -156.213 bonds (distance) P-C4' energy: -141.147 flat angles C4'-P-C4' energy: -160.423 flat angles P-C4'-P energy: -118.856 tors. eta vs tors. theta energy: -185.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -2130.652793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.652793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.652793 (E_RNA) where: Base-Base interactions energy: -1394.368 where: short stacking energy: -619.395 Base-Backbone interact. energy: -3.347 local terms energy: -732.937906 where: bonds (distance) C4'-P energy: -142.176 bonds (distance) P-C4' energy: -145.905 flat angles C4'-P-C4' energy: -172.787 flat angles P-C4'-P energy: -109.442 tors. eta vs tors. theta energy: -162.627 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: 6 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1808.980181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.980181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.980181 (E_RNA) where: Base-Base interactions energy: -1170.643 where: short stacking energy: -531.460 Base-Backbone interact. energy: -2.623 local terms energy: -635.714167 where: bonds (distance) C4'-P energy: -137.884 bonds (distance) P-C4' energy: -142.826 flat angles C4'-P-C4' energy: -147.646 flat angles P-C4'-P energy: -87.767 tors. eta vs tors. theta energy: -119.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1601.288729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.288729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.288729 (E_RNA) where: Base-Base interactions energy: -1034.397 where: short stacking energy: -449.971 Base-Backbone interact. energy: 0.414 local terms energy: -567.305031 where: bonds (distance) C4'-P energy: -155.591 bonds (distance) P-C4' energy: -133.869 flat angles C4'-P-C4' energy: -120.136 flat angles P-C4'-P energy: -67.595 tors. eta vs tors. theta energy: -90.114 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: 8, replica: 3 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1277.143184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.143184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.143184 (E_RNA) where: Base-Base interactions energy: -739.912 where: short stacking energy: -356.407 Base-Backbone interact. energy: -1.322 local terms energy: -535.908957 where: bonds (distance) C4'-P energy: -127.627 bonds (distance) P-C4' energy: -128.662 flat angles C4'-P-C4' energy: -122.232 flat angles P-C4'-P energy: -89.875 tors. eta vs tors. theta energy: -67.512 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: 7 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -725.164877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.164877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.164877 (E_RNA) where: Base-Base interactions energy: -265.225 where: short stacking energy: -199.206 Base-Backbone interact. energy: -3.340 local terms energy: -456.599610 where: bonds (distance) C4'-P energy: -145.219 bonds (distance) P-C4' energy: -137.773 flat angles C4'-P-C4' energy: -112.125 flat angles P-C4'-P energy: -74.360 tors. eta vs tors. theta energy: 12.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -685.671852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.671852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.671852 (E_RNA) where: Base-Base interactions energy: -244.728 where: short stacking energy: -182.361 Base-Backbone interact. energy: -0.079 local terms energy: -440.865327 where: bonds (distance) C4'-P energy: -146.395 bonds (distance) P-C4' energy: -134.931 flat angles C4'-P-C4' energy: -121.899 flat angles P-C4'-P energy: -56.761 tors. eta vs tors. theta energy: 19.120 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: 1, replica: 8 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -2726.089471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.089471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.089471 (E_RNA) where: Base-Base interactions energy: -1851.647 where: short stacking energy: -765.909 Base-Backbone interact. energy: -5.229 local terms energy: -869.213363 where: bonds (distance) C4'-P energy: -165.636 bonds (distance) P-C4' energy: -162.537 flat angles C4'-P-C4' energy: -177.563 flat angles P-C4'-P energy: -131.110 tors. eta vs tors. theta energy: -232.367 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: 1 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2616.380482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.380482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.380482 (E_RNA) where: Base-Base interactions energy: -1796.433 where: short stacking energy: -760.808 Base-Backbone interact. energy: -0.268 local terms energy: -819.678962 where: bonds (distance) C4'-P energy: -167.458 bonds (distance) P-C4' energy: -160.581 flat angles C4'-P-C4' energy: -176.298 flat angles P-C4'-P energy: -110.612 tors. eta vs tors. theta energy: -204.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2474.522629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.522629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.522629 (E_RNA) where: Base-Base interactions energy: -1688.364 where: short stacking energy: -732.763 Base-Backbone interact. energy: -4.637 local terms energy: -781.521210 where: bonds (distance) C4'-P energy: -138.333 bonds (distance) P-C4' energy: -153.775 flat angles C4'-P-C4' energy: -173.552 flat angles P-C4'-P energy: -114.885 tors. eta vs tors. theta energy: -200.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -2309.297032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.297032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.297032 (E_RNA) where: Base-Base interactions energy: -1542.101 where: short stacking energy: -639.077 Base-Backbone interact. energy: -6.797 local terms energy: -760.398657 where: bonds (distance) C4'-P energy: -148.476 bonds (distance) P-C4' energy: -150.852 flat angles C4'-P-C4' energy: -168.613 flat angles P-C4'-P energy: -96.061 tors. eta vs tors. theta energy: -196.397 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: 5, replica: 5 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -2088.154349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.154349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.154349 (E_RNA) where: Base-Base interactions energy: -1364.717 where: short stacking energy: -615.609 Base-Backbone interact. energy: -1.882 local terms energy: -721.556029 where: bonds (distance) C4'-P energy: -148.775 bonds (distance) P-C4' energy: -148.188 flat angles C4'-P-C4' energy: -152.776 flat angles P-C4'-P energy: -95.807 tors. eta vs tors. theta energy: -176.011 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: 6, replica: 6 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -1768.348272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.348272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.348272 (E_RNA) where: Base-Base interactions energy: -1142.224 where: short stacking energy: -496.761 Base-Backbone interact. energy: -3.357 local terms energy: -622.767678 where: bonds (distance) C4'-P energy: -128.327 bonds (distance) P-C4' energy: -135.588 flat angles C4'-P-C4' energy: -143.915 flat angles P-C4'-P energy: -98.821 tors. eta vs tors. theta energy: -116.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1539.328475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.328475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.328475 (E_RNA) where: Base-Base interactions energy: -977.902 where: short stacking energy: -459.655 Base-Backbone interact. energy: 3.104 local terms energy: -564.530352 where: bonds (distance) C4'-P energy: -127.762 bonds (distance) P-C4' energy: -138.241 flat angles C4'-P-C4' energy: -136.114 flat angles P-C4'-P energy: -67.081 tors. eta vs tors. theta energy: -95.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1307.850104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.850104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.850104 (E_RNA) where: Base-Base interactions energy: -803.293 where: short stacking energy: -368.624 Base-Backbone interact. energy: -2.275 local terms energy: -502.282421 where: bonds (distance) C4'-P energy: -133.638 bonds (distance) P-C4' energy: -147.636 flat angles C4'-P-C4' energy: -121.673 flat angles P-C4'-P energy: -53.741 tors. eta vs tors. theta energy: -45.594 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: 7 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -833.166062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.166062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.166062 (E_RNA) where: Base-Base interactions energy: -379.449 where: short stacking energy: -245.748 Base-Backbone interact. energy: 5.624 local terms energy: -459.341253 where: bonds (distance) C4'-P energy: -130.735 bonds (distance) P-C4' energy: -131.635 flat angles C4'-P-C4' energy: -127.131 flat angles P-C4'-P energy: -69.013 tors. eta vs tors. theta energy: -0.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -691.626824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.626824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.626824 (E_RNA) where: Base-Base interactions energy: -280.412 where: short stacking energy: -187.715 Base-Backbone interact. energy: -2.659 local terms energy: -408.556012 where: bonds (distance) C4'-P energy: -126.403 bonds (distance) P-C4' energy: -118.066 flat angles C4'-P-C4' energy: -119.558 flat angles P-C4'-P energy: -76.443 tors. eta vs tors. theta energy: 31.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -2747.367668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.367668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.367668 (E_RNA) where: Base-Base interactions energy: -1889.543 where: short stacking energy: -766.555 Base-Backbone interact. energy: -8.795 local terms energy: -849.029654 where: bonds (distance) C4'-P energy: -162.640 bonds (distance) P-C4' energy: -166.193 flat angles C4'-P-C4' energy: -174.688 flat angles P-C4'-P energy: -112.299 tors. eta vs tors. theta energy: -233.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -2549.979294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.979294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.979294 (E_RNA) where: Base-Base interactions energy: -1750.698 where: short stacking energy: -726.056 Base-Backbone interact. energy: 0.976 local terms energy: -800.256542 where: bonds (distance) C4'-P energy: -150.199 bonds (distance) P-C4' energy: -162.235 flat angles C4'-P-C4' energy: -176.384 flat angles P-C4'-P energy: -103.649 tors. eta vs tors. theta energy: -207.790 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: 3, replica: 2 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2481.181288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.181288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.181288 (E_RNA) where: Base-Base interactions energy: -1696.600 where: short stacking energy: -743.894 Base-Backbone interact. energy: 0.887 local terms energy: -785.468179 where: bonds (distance) C4'-P energy: -156.488 bonds (distance) P-C4' energy: -137.288 flat angles C4'-P-C4' energy: -178.100 flat angles P-C4'-P energy: -112.122 tors. eta vs tors. theta energy: -201.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -2264.485079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.485079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.485079 (E_RNA) where: Base-Base interactions energy: -1525.647 where: short stacking energy: -669.219 Base-Backbone interact. energy: -2.547 local terms energy: -736.291689 where: bonds (distance) C4'-P energy: -140.892 bonds (distance) P-C4' energy: -135.729 flat angles C4'-P-C4' energy: -161.478 flat angles P-C4'-P energy: -110.298 tors. eta vs tors. theta energy: -187.896 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: 5, replica: 5 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -2117.723428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.723428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.723428 (E_RNA) where: Base-Base interactions energy: -1377.660 where: short stacking energy: -610.142 Base-Backbone interact. energy: -4.174 local terms energy: -735.889635 where: bonds (distance) C4'-P energy: -140.437 bonds (distance) P-C4' energy: -157.439 flat angles C4'-P-C4' energy: -157.761 flat angles P-C4'-P energy: -119.696 tors. eta vs tors. theta energy: -160.557 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: 6, replica: 6 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1707.871213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.871213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.871213 (E_RNA) where: Base-Base interactions energy: -1075.356 where: short stacking energy: -517.310 Base-Backbone interact. energy: 1.813 local terms energy: -634.328250 where: bonds (distance) C4'-P energy: -128.367 bonds (distance) P-C4' energy: -139.621 flat angles C4'-P-C4' energy: -139.029 flat angles P-C4'-P energy: -92.030 tors. eta vs tors. theta energy: -135.282 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: 10 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1497.592103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.592103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.592103 (E_RNA) where: Base-Base interactions energy: -935.245 where: short stacking energy: -420.966 Base-Backbone interact. energy: -2.350 local terms energy: -559.996778 where: bonds (distance) C4'-P energy: -125.770 bonds (distance) P-C4' energy: -129.881 flat angles C4'-P-C4' energy: -138.094 flat angles P-C4'-P energy: -96.755 tors. eta vs tors. theta energy: -69.497 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: 8, replica: 3 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1317.809707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.809707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.809707 (E_RNA) where: Base-Base interactions energy: -765.982 where: short stacking energy: -351.323 Base-Backbone interact. energy: -6.049 local terms energy: -545.778637 where: bonds (distance) C4'-P energy: -128.759 bonds (distance) P-C4' energy: -134.251 flat angles C4'-P-C4' energy: -145.387 flat angles P-C4'-P energy: -94.603 tors. eta vs tors. theta energy: -42.778 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: 7 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -834.586792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.586792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.586792 (E_RNA) where: Base-Base interactions energy: -401.373 where: short stacking energy: -222.411 Base-Backbone interact. energy: 3.350 local terms energy: -436.563469 where: bonds (distance) C4'-P energy: -134.325 bonds (distance) P-C4' energy: -115.005 flat angles C4'-P-C4' energy: -123.790 flat angles P-C4'-P energy: -69.678 tors. eta vs tors. theta energy: 6.234 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: 10, replica: 9 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -679.547408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.547408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.547408 (E_RNA) where: Base-Base interactions energy: -284.730 where: short stacking energy: -162.762 Base-Backbone interact. energy: 3.738 local terms energy: -398.556326 where: bonds (distance) C4'-P energy: -134.906 bonds (distance) P-C4' energy: -123.855 flat angles C4'-P-C4' energy: -122.875 flat angles P-C4'-P energy: -55.507 tors. eta vs tors. theta energy: 38.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -2714.808115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.808115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.808115 (E_RNA) where: Base-Base interactions energy: -1860.248 where: short stacking energy: -764.647 Base-Backbone interact. energy: -3.079 local terms energy: -851.481025 where: bonds (distance) C4'-P energy: -154.034 bonds (distance) P-C4' energy: -170.507 flat angles C4'-P-C4' energy: -185.762 flat angles P-C4'-P energy: -122.637 tors. eta vs tors. theta energy: -218.541 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: 2, replica: 1 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -2582.742777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.742777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.742777 (E_RNA) where: Base-Base interactions energy: -1759.602 where: short stacking energy: -742.466 Base-Backbone interact. energy: -6.712 local terms energy: -816.429287 where: bonds (distance) C4'-P energy: -139.705 bonds (distance) P-C4' energy: -172.860 flat angles C4'-P-C4' energy: -182.703 flat angles P-C4'-P energy: -110.217 tors. eta vs tors. theta energy: -210.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2487.412977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.412977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.412977 (E_RNA) where: Base-Base interactions energy: -1654.461 where: short stacking energy: -752.443 Base-Backbone interact. energy: -2.517 local terms energy: -830.435408 where: bonds (distance) C4'-P energy: -157.770 bonds (distance) P-C4' energy: -170.260 flat angles C4'-P-C4' energy: -183.218 flat angles P-C4'-P energy: -103.056 tors. eta vs tors. theta energy: -216.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -2251.673438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.673438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.673438 (E_RNA) where: Base-Base interactions energy: -1481.310 where: short stacking energy: -637.838 Base-Backbone interact. energy: -1.938 local terms energy: -768.425593 where: bonds (distance) C4'-P energy: -136.614 bonds (distance) P-C4' energy: -156.667 flat angles C4'-P-C4' energy: -168.033 flat angles P-C4'-P energy: -116.916 tors. eta vs tors. theta energy: -190.195 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: 5 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -2091.147872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.147872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.147872 (E_RNA) where: Base-Base interactions energy: -1369.124 where: short stacking energy: -584.787 Base-Backbone interact. energy: -1.776 local terms energy: -720.248492 where: bonds (distance) C4'-P energy: -127.799 bonds (distance) P-C4' energy: -146.214 flat angles C4'-P-C4' energy: -158.360 flat angles P-C4'-P energy: -124.291 tors. eta vs tors. theta energy: -163.586 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: 6, replica: 6 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1780.908612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.908612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.908612 (E_RNA) where: Base-Base interactions energy: -1129.163 where: short stacking energy: -547.152 Base-Backbone interact. energy: -1.677 local terms energy: -650.068702 where: bonds (distance) C4'-P energy: -120.079 bonds (distance) P-C4' energy: -131.424 flat angles C4'-P-C4' energy: -159.812 flat angles P-C4'-P energy: -88.676 tors. eta vs tors. theta energy: -150.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1610.609499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.609499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.609499 (E_RNA) where: Base-Base interactions energy: -996.019 where: short stacking energy: -402.413 Base-Backbone interact. energy: -4.663 local terms energy: -609.927286 where: bonds (distance) C4'-P energy: -143.402 bonds (distance) P-C4' energy: -145.108 flat angles C4'-P-C4' energy: -151.874 flat angles P-C4'-P energy: -90.814 tors. eta vs tors. theta energy: -78.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1315.822105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.822105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.822105 (E_RNA) where: Base-Base interactions energy: -757.803 where: short stacking energy: -369.954 Base-Backbone interact. energy: -1.347 local terms energy: -556.672665 where: bonds (distance) C4'-P energy: -126.103 bonds (distance) P-C4' energy: -151.884 flat angles C4'-P-C4' energy: -146.540 flat angles P-C4'-P energy: -73.480 tors. eta vs tors. theta energy: -58.665 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: 7 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -741.082215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.082215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.082215 (E_RNA) where: Base-Base interactions energy: -288.268 where: short stacking energy: -194.197 Base-Backbone interact. energy: 2.367 local terms energy: -455.180941 where: bonds (distance) C4'-P energy: -140.441 bonds (distance) P-C4' energy: -158.010 flat angles C4'-P-C4' energy: -123.964 flat angles P-C4'-P energy: -61.134 tors. eta vs tors. theta energy: 28.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -691.428096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.428096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.428096 (E_RNA) where: Base-Base interactions energy: -279.994 where: short stacking energy: -168.606 Base-Backbone interact. energy: -1.366 local terms energy: -410.068089 where: bonds (distance) C4'-P energy: -130.111 bonds (distance) P-C4' energy: -135.256 flat angles C4'-P-C4' energy: -101.181 flat angles P-C4'-P energy: -83.934 tors. eta vs tors. theta energy: 40.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -2714.009150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.009150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.009150 (E_RNA) where: Base-Base interactions energy: -1863.748 where: short stacking energy: -756.946 Base-Backbone interact. energy: -7.011 local terms energy: -843.250002 where: bonds (distance) C4'-P energy: -157.106 bonds (distance) P-C4' energy: -155.082 flat angles C4'-P-C4' energy: -193.124 flat angles P-C4'-P energy: -116.842 tors. eta vs tors. theta energy: -221.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -2626.464410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.464410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.464410 (E_RNA) where: Base-Base interactions energy: -1796.454 where: short stacking energy: -753.570 Base-Backbone interact. energy: -0.377 local terms energy: -829.633728 where: bonds (distance) C4'-P energy: -164.927 bonds (distance) P-C4' energy: -159.320 flat angles C4'-P-C4' energy: -167.407 flat angles P-C4'-P energy: -123.370 tors. eta vs tors. theta energy: -214.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2448.443910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.443910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.443910 (E_RNA) where: Base-Base interactions energy: -1656.792 where: short stacking energy: -728.516 Base-Backbone interact. energy: -6.579 local terms energy: -785.072636 where: bonds (distance) C4'-P energy: -153.042 bonds (distance) P-C4' energy: -146.908 flat angles C4'-P-C4' energy: -170.675 flat angles P-C4'-P energy: -99.405 tors. eta vs tors. theta energy: -215.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -2300.482690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.482690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.482690 (E_RNA) where: Base-Base interactions energy: -1575.802 where: short stacking energy: -676.923 Base-Backbone interact. energy: -5.855 local terms energy: -718.825590 where: bonds (distance) C4'-P energy: -128.505 bonds (distance) P-C4' energy: -136.646 flat angles C4'-P-C4' energy: -155.939 flat angles P-C4'-P energy: -103.400 tors. eta vs tors. theta energy: -194.335 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: 272 Temperature: 1.100000 Total energy: -2104.993834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.993834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.993834 (E_RNA) where: Base-Base interactions energy: -1375.689 where: short stacking energy: -594.406 Base-Backbone interact. energy: -2.309 local terms energy: -726.996059 where: bonds (distance) C4'-P energy: -156.418 bonds (distance) P-C4' energy: -157.366 flat angles C4'-P-C4' energy: -161.975 flat angles P-C4'-P energy: -91.800 tors. eta vs tors. theta energy: -159.437 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: 6, replica: 6 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -1769.648801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.648801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.648801 (E_RNA) where: Base-Base interactions energy: -1121.347 where: short stacking energy: -517.862 Base-Backbone interact. energy: -4.834 local terms energy: -643.467417 where: bonds (distance) C4'-P energy: -119.916 bonds (distance) P-C4' energy: -151.390 flat angles C4'-P-C4' energy: -161.875 flat angles P-C4'-P energy: -78.286 tors. eta vs tors. theta energy: -132.000 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: 10 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1604.709024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.709024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.709024 (E_RNA) where: Base-Base interactions energy: -995.381 where: short stacking energy: -441.616 Base-Backbone interact. energy: -4.431 local terms energy: -604.896163 where: bonds (distance) C4'-P energy: -138.475 bonds (distance) P-C4' energy: -124.278 flat angles C4'-P-C4' energy: -153.072 flat angles P-C4'-P energy: -84.593 tors. eta vs tors. theta energy: -104.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1283.463125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.463125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.463125 (E_RNA) where: Base-Base interactions energy: -736.995 where: short stacking energy: -385.110 Base-Backbone interact. energy: -3.661 local terms energy: -542.807913 where: bonds (distance) C4'-P energy: -118.369 bonds (distance) P-C4' energy: -137.756 flat angles C4'-P-C4' energy: -139.124 flat angles P-C4'-P energy: -76.252 tors. eta vs tors. theta energy: -71.308 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: 9 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -710.715719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.715719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.715719 (E_RNA) where: Base-Base interactions energy: -272.537 where: short stacking energy: -181.917 Base-Backbone interact. energy: 4.520 local terms energy: -442.699099 where: bonds (distance) C4'-P energy: -132.444 bonds (distance) P-C4' energy: -125.715 flat angles C4'-P-C4' energy: -122.097 flat angles P-C4'-P energy: -84.448 tors. eta vs tors. theta energy: 22.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -671.390877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.390877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.390877 (E_RNA) where: Base-Base interactions energy: -278.368 where: short stacking energy: -166.716 Base-Backbone interact. energy: 1.467 local terms energy: -394.489654 where: bonds (distance) C4'-P energy: -140.378 bonds (distance) P-C4' energy: -108.558 flat angles C4'-P-C4' energy: -104.596 flat angles P-C4'-P energy: -74.141 tors. eta vs tors. theta energy: 33.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -2730.680097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.680097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.680097 (E_RNA) where: Base-Base interactions energy: -1875.122 where: short stacking energy: -773.066 Base-Backbone interact. energy: -6.581 local terms energy: -848.976959 where: bonds (distance) C4'-P energy: -155.580 bonds (distance) P-C4' energy: -154.710 flat angles C4'-P-C4' energy: -186.376 flat angles P-C4'-P energy: -128.214 tors. eta vs tors. theta energy: -224.097 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: 1 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -2617.855695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.855695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.855695 (E_RNA) where: Base-Base interactions energy: -1787.989 where: short stacking energy: -753.557 Base-Backbone interact. energy: -2.664 local terms energy: -827.201947 where: bonds (distance) C4'-P energy: -161.813 bonds (distance) P-C4' energy: -161.075 flat angles C4'-P-C4' energy: -177.009 flat angles P-C4'-P energy: -119.397 tors. eta vs tors. theta energy: -207.907 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: 2 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -2465.796301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.796301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.796301 (E_RNA) where: Base-Base interactions energy: -1676.040 where: short stacking energy: -723.125 Base-Backbone interact. energy: 0.023 local terms energy: -789.779557 where: bonds (distance) C4'-P energy: -156.657 bonds (distance) P-C4' energy: -159.811 flat angles C4'-P-C4' energy: -155.886 flat angles P-C4'-P energy: -117.536 tors. eta vs tors. theta energy: -199.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -2261.295730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.295730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.295730 (E_RNA) where: Base-Base interactions energy: -1536.511 where: short stacking energy: -662.378 Base-Backbone interact. energy: -2.893 local terms energy: -721.891352 where: bonds (distance) C4'-P energy: -137.798 bonds (distance) P-C4' energy: -153.540 flat angles C4'-P-C4' energy: -155.099 flat angles P-C4'-P energy: -98.884 tors. eta vs tors. theta energy: -176.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -2167.675005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.675005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.675005 (E_RNA) where: Base-Base interactions energy: -1448.613 where: short stacking energy: -615.238 Base-Backbone interact. energy: -1.770 local terms energy: -717.292316 where: bonds (distance) C4'-P energy: -144.581 bonds (distance) P-C4' energy: -143.052 flat angles C4'-P-C4' energy: -160.416 flat angles P-C4'-P energy: -88.731 tors. eta vs tors. theta energy: -180.512 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: 6 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1786.946713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.946713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.946713 (E_RNA) where: Base-Base interactions energy: -1120.179 where: short stacking energy: -514.349 Base-Backbone interact. energy: -3.185 local terms energy: -663.582653 where: bonds (distance) C4'-P energy: -137.090 bonds (distance) P-C4' energy: -150.429 flat angles C4'-P-C4' energy: -148.763 flat angles P-C4'-P energy: -96.035 tors. eta vs tors. theta energy: -131.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1546.677604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.677604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.677604 (E_RNA) where: Base-Base interactions energy: -970.997 where: short stacking energy: -420.294 Base-Backbone interact. energy: -4.206 local terms energy: -571.475001 where: bonds (distance) C4'-P energy: -138.001 bonds (distance) P-C4' energy: -150.350 flat angles C4'-P-C4' energy: -123.091 flat angles P-C4'-P energy: -68.207 tors. eta vs tors. theta energy: -91.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1180.544530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.544530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.544530 (E_RNA) where: Base-Base interactions energy: -663.915 where: short stacking energy: -339.837 Base-Backbone interact. energy: 6.383 local terms energy: -523.012468 where: bonds (distance) C4'-P energy: -132.167 bonds (distance) P-C4' energy: -123.993 flat angles C4'-P-C4' energy: -155.183 flat angles P-C4'-P energy: -74.228 tors. eta vs tors. theta energy: -37.442 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: 9, replica: 9 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -810.868911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.868911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.868911 (E_RNA) where: Base-Base interactions energy: -352.515 where: short stacking energy: -204.328 Base-Backbone interact. energy: 0.530 local terms energy: -458.884371 where: bonds (distance) C4'-P energy: -108.536 bonds (distance) P-C4' energy: -143.828 flat angles C4'-P-C4' energy: -128.747 flat angles P-C4'-P energy: -82.788 tors. eta vs tors. theta energy: 5.014 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: 7 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -738.222654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.222654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.222654 (E_RNA) where: Base-Base interactions energy: -333.316 where: short stacking energy: -185.308 Base-Backbone interact. energy: 2.974 local terms energy: -407.880320 where: bonds (distance) C4'-P energy: -142.782 bonds (distance) P-C4' energy: -112.880 flat angles C4'-P-C4' energy: -124.719 flat angles P-C4'-P energy: -58.749 tors. eta vs tors. theta energy: 31.250 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: 1, replica: 8 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -2708.984048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.984048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.984048 (E_RNA) where: Base-Base interactions energy: -1844.651 where: short stacking energy: -752.815 Base-Backbone interact. energy: -6.120 local terms energy: -858.213279 where: bonds (distance) C4'-P energy: -157.993 bonds (distance) P-C4' energy: -160.619 flat angles C4'-P-C4' energy: -187.509 flat angles P-C4'-P energy: -128.983 tors. eta vs tors. theta energy: -223.109 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: 2, replica: 1 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -2597.568846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.568846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.568846 (E_RNA) where: Base-Base interactions energy: -1779.468 where: short stacking energy: -742.958 Base-Backbone interact. energy: 2.018 local terms energy: -820.118871 where: bonds (distance) C4'-P energy: -140.963 bonds (distance) P-C4' energy: -177.715 flat angles C4'-P-C4' energy: -181.096 flat angles P-C4'-P energy: -112.375 tors. eta vs tors. theta energy: -207.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -2464.861457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.861457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.861457 (E_RNA) where: Base-Base interactions energy: -1687.347 where: short stacking energy: -716.661 Base-Backbone interact. energy: 0.347 local terms energy: -777.861437 where: bonds (distance) C4'-P energy: -152.818 bonds (distance) P-C4' energy: -155.959 flat angles C4'-P-C4' energy: -170.159 flat angles P-C4'-P energy: -97.300 tors. eta vs tors. theta energy: -201.624 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: 4, replica: 4 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -2311.397934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.397934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.397934 (E_RNA) where: Base-Base interactions energy: -1565.729 where: short stacking energy: -692.018 Base-Backbone interact. energy: 4.652 local terms energy: -750.320918 where: bonds (distance) C4'-P energy: -145.735 bonds (distance) P-C4' energy: -153.968 flat angles C4'-P-C4' energy: -159.658 flat angles P-C4'-P energy: -115.761 tors. eta vs tors. theta energy: -175.199 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: 5, replica: 5 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -2107.194344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.194344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.194344 (E_RNA) where: Base-Base interactions energy: -1383.291 where: short stacking energy: -615.945 Base-Backbone interact. energy: -0.621 local terms energy: -723.282324 where: bonds (distance) C4'-P energy: -151.412 bonds (distance) P-C4' energy: -137.502 flat angles C4'-P-C4' energy: -155.103 flat angles P-C4'-P energy: -116.425 tors. eta vs tors. theta energy: -162.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -1757.053577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.053577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.053577 (E_RNA) where: Base-Base interactions energy: -1145.712 where: short stacking energy: -525.369 Base-Backbone interact. energy: 5.006 local terms energy: -616.347708 where: bonds (distance) C4'-P energy: -125.111 bonds (distance) P-C4' energy: -125.056 flat angles C4'-P-C4' energy: -138.055 flat angles P-C4'-P energy: -97.255 tors. eta vs tors. theta energy: -130.871 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: 7, replica: 10 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1589.159412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.159412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.159412 (E_RNA) where: Base-Base interactions energy: -973.189 where: short stacking energy: -446.007 Base-Backbone interact. energy: 3.891 local terms energy: -619.861473 where: bonds (distance) C4'-P energy: -131.754 bonds (distance) P-C4' energy: -142.289 flat angles C4'-P-C4' energy: -154.310 flat angles P-C4'-P energy: -93.471 tors. eta vs tors. theta energy: -98.037 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: 3 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1171.784936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.784936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.784936 (E_RNA) where: Base-Base interactions energy: -651.448 where: short stacking energy: -331.564 Base-Backbone interact. energy: -2.684 local terms energy: -517.653441 where: bonds (distance) C4'-P energy: -133.327 bonds (distance) P-C4' energy: -155.269 flat angles C4'-P-C4' energy: -131.910 flat angles P-C4'-P energy: -72.940 tors. eta vs tors. theta energy: -24.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -861.472946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.472946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.472946 (E_RNA) where: Base-Base interactions energy: -420.066 where: short stacking energy: -265.702 Base-Backbone interact. energy: 7.410 local terms energy: -448.816638 where: bonds (distance) C4'-P energy: -129.106 bonds (distance) P-C4' energy: -128.208 flat angles C4'-P-C4' energy: -111.631 flat angles P-C4'-P energy: -62.383 tors. eta vs tors. theta energy: -17.488 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: 7 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -777.194235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.194235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.194235 (E_RNA) where: Base-Base interactions energy: -364.226 where: short stacking energy: -215.512 Base-Backbone interact. energy: -0.298 local terms energy: -412.670832 where: bonds (distance) C4'-P energy: -115.764 bonds (distance) P-C4' energy: -118.720 flat angles C4'-P-C4' energy: -111.898 flat angles P-C4'-P energy: -54.689 tors. eta vs tors. theta energy: -11.600 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: 1, replica: 8 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -2759.396180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.396180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.396180 (E_RNA) where: Base-Base interactions energy: -1900.196 where: short stacking energy: -764.587 Base-Backbone interact. energy: -8.418 local terms energy: -850.782691 where: bonds (distance) C4'-P energy: -154.082 bonds (distance) P-C4' energy: -161.830 flat angles C4'-P-C4' energy: -185.386 flat angles P-C4'-P energy: -121.252 tors. eta vs tors. theta energy: -228.232 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: 1 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -2618.900333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.900333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.900333 (E_RNA) where: Base-Base interactions energy: -1825.377 where: short stacking energy: -750.173 Base-Backbone interact. energy: -3.811 local terms energy: -789.712134 where: bonds (distance) C4'-P energy: -161.186 bonds (distance) P-C4' energy: -145.365 flat angles C4'-P-C4' energy: -165.547 flat angles P-C4'-P energy: -97.918 tors. eta vs tors. theta energy: -219.696 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: 2 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -2460.089521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.089521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.089521 (E_RNA) where: Base-Base interactions energy: -1691.097 where: short stacking energy: -725.661 Base-Backbone interact. energy: -4.706 local terms energy: -764.285987 where: bonds (distance) C4'-P energy: -153.108 bonds (distance) P-C4' energy: -145.866 flat angles C4'-P-C4' energy: -166.530 flat angles P-C4'-P energy: -95.637 tors. eta vs tors. theta energy: -203.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -2263.124951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.124951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.124951 (E_RNA) where: Base-Base interactions energy: -1515.201 where: short stacking energy: -639.596 Base-Backbone interact. energy: -3.754 local terms energy: -744.170420 where: bonds (distance) C4'-P energy: -140.236 bonds (distance) P-C4' energy: -144.873 flat angles C4'-P-C4' energy: -171.226 flat angles P-C4'-P energy: -115.550 tors. eta vs tors. theta energy: -172.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -2132.283075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.283075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.283075 (E_RNA) where: Base-Base interactions energy: -1396.063 where: short stacking energy: -604.316 Base-Backbone interact. energy: -0.867 local terms energy: -735.353251 where: bonds (distance) C4'-P energy: -150.503 bonds (distance) P-C4' energy: -148.930 flat angles C4'-P-C4' energy: -154.715 flat angles P-C4'-P energy: -120.989 tors. eta vs tors. theta energy: -160.216 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: 6, replica: 6 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1819.519669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.519669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.519669 (E_RNA) where: Base-Base interactions energy: -1153.161 where: short stacking energy: -525.361 Base-Backbone interact. energy: 0.140 local terms energy: -666.498858 where: bonds (distance) C4'-P energy: -137.106 bonds (distance) P-C4' energy: -160.860 flat angles C4'-P-C4' energy: -151.569 flat angles P-C4'-P energy: -87.626 tors. eta vs tors. theta energy: -129.338 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: 10 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1610.387104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.387104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.387104 (E_RNA) where: Base-Base interactions energy: -1025.873 where: short stacking energy: -458.576 Base-Backbone interact. energy: 2.998 local terms energy: -587.511502 where: bonds (distance) C4'-P energy: -137.727 bonds (distance) P-C4' energy: -140.290 flat angles C4'-P-C4' energy: -134.823 flat angles P-C4'-P energy: -86.902 tors. eta vs tors. theta energy: -87.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1185.231866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.231866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.231866 (E_RNA) where: Base-Base interactions energy: -671.781 where: short stacking energy: -340.164 Base-Backbone interact. energy: -5.623 local terms energy: -507.828093 where: bonds (distance) C4'-P energy: -136.375 bonds (distance) P-C4' energy: -140.776 flat angles C4'-P-C4' energy: -106.975 flat angles P-C4'-P energy: -72.259 tors. eta vs tors. theta energy: -51.444 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: 9, replica: 9 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -928.980358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.980358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.980358 (E_RNA) where: Base-Base interactions energy: -480.145 where: short stacking energy: -270.343 Base-Backbone interact. energy: 1.957 local terms energy: -450.793184 where: bonds (distance) C4'-P energy: -127.114 bonds (distance) P-C4' energy: -123.702 flat angles C4'-P-C4' energy: -123.626 flat angles P-C4'-P energy: -67.329 tors. eta vs tors. theta energy: -9.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -765.910269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.910269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.910269 (E_RNA) where: Base-Base interactions energy: -338.463 where: short stacking energy: -217.355 Base-Backbone interact. energy: 3.154 local terms energy: -430.601070 where: bonds (distance) C4'-P energy: -115.125 bonds (distance) P-C4' energy: -140.887 flat angles C4'-P-C4' energy: -115.966 flat angles P-C4'-P energy: -54.315 tors. eta vs tors. theta energy: -4.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -2688.767985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.767985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.767985 (E_RNA) where: Base-Base interactions energy: -1822.834 where: short stacking energy: -753.085 Base-Backbone interact. energy: -3.936 local terms energy: -861.998116 where: bonds (distance) C4'-P energy: -150.862 bonds (distance) P-C4' energy: -171.989 flat angles C4'-P-C4' energy: -195.597 flat angles P-C4'-P energy: -120.067 tors. eta vs tors. theta energy: -223.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -2622.339638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.339638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.339638 (E_RNA) where: Base-Base interactions energy: -1810.302 where: short stacking energy: -761.633 Base-Backbone interact. energy: -2.608 local terms energy: -809.429504 where: bonds (distance) C4'-P energy: -151.674 bonds (distance) P-C4' energy: -166.016 flat angles C4'-P-C4' energy: -163.391 flat angles P-C4'-P energy: -115.901 tors. eta vs tors. theta energy: -212.447 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: 2 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2520.837398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.837398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.837398 (E_RNA) where: Base-Base interactions energy: -1710.131 where: short stacking energy: -742.759 Base-Backbone interact. energy: -4.534 local terms energy: -806.171989 where: bonds (distance) C4'-P energy: -159.161 bonds (distance) P-C4' energy: -152.660 flat angles C4'-P-C4' energy: -176.330 flat angles P-C4'-P energy: -108.519 tors. eta vs tors. theta energy: -209.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -2262.776923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.776923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.776923 (E_RNA) where: Base-Base interactions energy: -1534.209 where: short stacking energy: -648.148 Base-Backbone interact. energy: -0.997 local terms energy: -727.570747 where: bonds (distance) C4'-P energy: -145.333 bonds (distance) P-C4' energy: -152.330 flat angles C4'-P-C4' energy: -161.741 flat angles P-C4'-P energy: -101.021 tors. eta vs tors. theta energy: -167.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -2133.263661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.263661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.263661 (E_RNA) where: Base-Base interactions energy: -1400.324 where: short stacking energy: -620.752 Base-Backbone interact. energy: -4.228 local terms energy: -728.711696 where: bonds (distance) C4'-P energy: -136.841 bonds (distance) P-C4' energy: -135.688 flat angles C4'-P-C4' energy: -180.594 flat angles P-C4'-P energy: -107.015 tors. eta vs tors. theta energy: -168.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1892.373088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.373088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.373088 (E_RNA) where: Base-Base interactions energy: -1200.815 where: short stacking energy: -560.502 Base-Backbone interact. energy: 0.844 local terms energy: -692.402398 where: bonds (distance) C4'-P energy: -136.989 bonds (distance) P-C4' energy: -146.160 flat angles C4'-P-C4' energy: -156.945 flat angles P-C4'-P energy: -115.010 tors. eta vs tors. theta energy: -137.298 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: 10 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1597.645208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.645208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.645208 (E_RNA) where: Base-Base interactions energy: -991.982 where: short stacking energy: -458.449 Base-Backbone interact. energy: 2.453 local terms energy: -608.115928 where: bonds (distance) C4'-P energy: -138.939 bonds (distance) P-C4' energy: -145.229 flat angles C4'-P-C4' energy: -138.593 flat angles P-C4'-P energy: -70.057 tors. eta vs tors. theta energy: -115.299 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: 8, replica: 3 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1194.104983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.104983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.104983 (E_RNA) where: Base-Base interactions energy: -685.786 where: short stacking energy: -332.636 Base-Backbone interact. energy: 1.350 local terms energy: -509.669061 where: bonds (distance) C4'-P energy: -132.416 bonds (distance) P-C4' energy: -136.985 flat angles C4'-P-C4' energy: -144.436 flat angles P-C4'-P energy: -59.227 tors. eta vs tors. theta energy: -36.606 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: 9 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -1041.411103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.411103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.411103 (E_RNA) where: Base-Base interactions energy: -575.823 where: short stacking energy: -276.860 Base-Backbone interact. energy: 1.994 local terms energy: -467.581924 where: bonds (distance) C4'-P energy: -119.914 bonds (distance) P-C4' energy: -135.391 flat angles C4'-P-C4' energy: -114.895 flat angles P-C4'-P energy: -80.305 tors. eta vs tors. theta energy: -17.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -698.733202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.733202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.733202 (E_RNA) where: Base-Base interactions energy: -286.792 where: short stacking energy: -200.208 Base-Backbone interact. energy: -0.711 local terms energy: -411.229619 where: bonds (distance) C4'-P energy: -109.090 bonds (distance) P-C4' energy: -134.433 flat angles C4'-P-C4' energy: -109.084 flat angles P-C4'-P energy: -73.542 tors. eta vs tors. theta energy: 14.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -2690.303290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.303290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.303290 (E_RNA) where: Base-Base interactions energy: -1835.399 where: short stacking energy: -754.772 Base-Backbone interact. energy: -7.154 local terms energy: -847.750466 where: bonds (distance) C4'-P energy: -163.482 bonds (distance) P-C4' energy: -164.328 flat angles C4'-P-C4' energy: -185.791 flat angles P-C4'-P energy: -111.119 tors. eta vs tors. theta energy: -223.031 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: 1 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -2611.653638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.653638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.653638 (E_RNA) where: Base-Base interactions energy: -1812.696 where: short stacking energy: -792.623 Base-Backbone interact. energy: -4.266 local terms energy: -794.691834 where: bonds (distance) C4'-P energy: -148.499 bonds (distance) P-C4' energy: -159.348 flat angles C4'-P-C4' energy: -157.966 flat angles P-C4'-P energy: -111.463 tors. eta vs tors. theta energy: -217.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -2586.452295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.452295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.452295 (E_RNA) where: Base-Base interactions energy: -1751.418 where: short stacking energy: -743.558 Base-Backbone interact. energy: -6.098 local terms energy: -828.936179 where: bonds (distance) C4'-P energy: -158.295 bonds (distance) P-C4' energy: -158.456 flat angles C4'-P-C4' energy: -175.405 flat angles P-C4'-P energy: -115.849 tors. eta vs tors. theta energy: -220.931 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: 4 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -2226.067260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.067260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.067260 (E_RNA) where: Base-Base interactions energy: -1483.999 where: short stacking energy: -628.049 Base-Backbone interact. energy: -3.590 local terms energy: -738.478217 where: bonds (distance) C4'-P energy: -136.101 bonds (distance) P-C4' energy: -161.560 flat angles C4'-P-C4' energy: -161.116 flat angles P-C4'-P energy: -97.712 tors. eta vs tors. theta energy: -181.989 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: 5, replica: 5 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -2028.458056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.458056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.458056 (E_RNA) where: Base-Base interactions energy: -1326.000 where: short stacking energy: -586.956 Base-Backbone interact. energy: 3.466 local terms energy: -705.923966 where: bonds (distance) C4'-P energy: -138.741 bonds (distance) P-C4' energy: -151.659 flat angles C4'-P-C4' energy: -158.617 flat angles P-C4'-P energy: -107.422 tors. eta vs tors. theta energy: -149.484 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: 6 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1838.965679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.965679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.965679 (E_RNA) where: Base-Base interactions energy: -1191.611 where: short stacking energy: -540.792 Base-Backbone interact. energy: -1.372 local terms energy: -645.982961 where: bonds (distance) C4'-P energy: -137.759 bonds (distance) P-C4' energy: -130.038 flat angles C4'-P-C4' energy: -146.875 flat angles P-C4'-P energy: -101.397 tors. eta vs tors. theta energy: -129.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1575.470445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.470445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.470445 (E_RNA) where: Base-Base interactions energy: -1002.488 where: short stacking energy: -452.566 Base-Backbone interact. energy: 3.230 local terms energy: -576.212057 where: bonds (distance) C4'-P energy: -129.278 bonds (distance) P-C4' energy: -127.815 flat angles C4'-P-C4' energy: -156.754 flat angles P-C4'-P energy: -76.958 tors. eta vs tors. theta energy: -85.408 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: 3 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1184.218943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.218943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.218943 (E_RNA) where: Base-Base interactions energy: -689.116 where: short stacking energy: -347.353 Base-Backbone interact. energy: -3.057 local terms energy: -492.046223 where: bonds (distance) C4'-P energy: -158.596 bonds (distance) P-C4' energy: -101.790 flat angles C4'-P-C4' energy: -118.158 flat angles P-C4'-P energy: -76.151 tors. eta vs tors. theta energy: -37.353 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: 277 Temperature: 1.300000 Total energy: -990.999599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.999599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.999599 (E_RNA) where: Base-Base interactions energy: -537.273 where: short stacking energy: -254.381 Base-Backbone interact. energy: -1.184 local terms energy: -452.542374 where: bonds (distance) C4'-P energy: -147.272 bonds (distance) P-C4' energy: -119.871 flat angles C4'-P-C4' energy: -114.920 flat angles P-C4'-P energy: -54.148 tors. eta vs tors. theta energy: -16.333 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: 7 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -750.798708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.798708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.798708 (E_RNA) where: Base-Base interactions energy: -305.374 where: short stacking energy: -191.264 Base-Backbone interact. energy: -0.616 local terms energy: -444.809205 where: bonds (distance) C4'-P energy: -128.124 bonds (distance) P-C4' energy: -151.005 flat angles C4'-P-C4' energy: -117.302 flat angles P-C4'-P energy: -61.926 tors. eta vs tors. theta energy: 13.548 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: 1, replica: 8 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -2692.687121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.687121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.687121 (E_RNA) where: Base-Base interactions energy: -1830.574 where: short stacking energy: -771.309 Base-Backbone interact. energy: -3.295 local terms energy: -858.818298 where: bonds (distance) C4'-P energy: -165.153 bonds (distance) P-C4' energy: -157.892 flat angles C4'-P-C4' energy: -185.285 flat angles P-C4'-P energy: -130.539 tors. eta vs tors. theta energy: -219.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -2619.685576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.685576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.685576 (E_RNA) where: Base-Base interactions energy: -1795.562 where: short stacking energy: -764.975 Base-Backbone interact. energy: -1.109 local terms energy: -823.015073 where: bonds (distance) C4'-P energy: -160.947 bonds (distance) P-C4' energy: -165.129 flat angles C4'-P-C4' energy: -173.196 flat angles P-C4'-P energy: -102.479 tors. eta vs tors. theta energy: -221.264 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: 2 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2513.121226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.121226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.121226 (E_RNA) where: Base-Base interactions energy: -1730.343 where: short stacking energy: -760.872 Base-Backbone interact. energy: -1.846 local terms energy: -780.932186 where: bonds (distance) C4'-P energy: -152.817 bonds (distance) P-C4' energy: -118.784 flat angles C4'-P-C4' energy: -174.447 flat angles P-C4'-P energy: -113.043 tors. eta vs tors. theta energy: -221.841 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: 4, replica: 4 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -2267.345542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.345542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.345542 (E_RNA) where: Base-Base interactions energy: -1520.255 where: short stacking energy: -659.816 Base-Backbone interact. energy: -1.079 local terms energy: -746.011329 where: bonds (distance) C4'-P energy: -138.121 bonds (distance) P-C4' energy: -149.950 flat angles C4'-P-C4' energy: -158.065 flat angles P-C4'-P energy: -121.672 tors. eta vs tors. theta energy: -178.203 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: 5 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -2103.475642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.475642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.475642 (E_RNA) where: Base-Base interactions energy: -1413.797 where: short stacking energy: -610.958 Base-Backbone interact. energy: -0.095 local terms energy: -689.583312 where: bonds (distance) C4'-P energy: -132.921 bonds (distance) P-C4' energy: -144.266 flat angles C4'-P-C4' energy: -148.550 flat angles P-C4'-P energy: -99.423 tors. eta vs tors. theta energy: -164.423 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: 6 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1846.416312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.416312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.416312 (E_RNA) where: Base-Base interactions energy: -1205.239 where: short stacking energy: -535.041 Base-Backbone interact. energy: 2.034 local terms energy: -643.211356 where: bonds (distance) C4'-P energy: -129.235 bonds (distance) P-C4' energy: -148.017 flat angles C4'-P-C4' energy: -143.579 flat angles P-C4'-P energy: -90.705 tors. eta vs tors. theta energy: -131.675 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: 7, replica: 10 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1531.991119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.991119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.991119 (E_RNA) where: Base-Base interactions energy: -975.904 where: short stacking energy: -440.230 Base-Backbone interact. energy: 2.280 local terms energy: -558.366759 where: bonds (distance) C4'-P energy: -121.671 bonds (distance) P-C4' energy: -155.032 flat angles C4'-P-C4' energy: -137.225 flat angles P-C4'-P energy: -76.938 tors. eta vs tors. theta energy: -67.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1105.491399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.491399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.491399 (E_RNA) where: Base-Base interactions energy: -586.132 where: short stacking energy: -312.963 Base-Backbone interact. energy: -5.120 local terms energy: -514.239288 where: bonds (distance) C4'-P energy: -136.751 bonds (distance) P-C4' energy: -155.695 flat angles C4'-P-C4' energy: -115.764 flat angles P-C4'-P energy: -71.511 tors. eta vs tors. theta energy: -34.518 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: 9, replica: 9 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -988.466129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.466129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.466129 (E_RNA) where: Base-Base interactions energy: -469.887 where: short stacking energy: -257.700 Base-Backbone interact. energy: -2.088 local terms energy: -516.491309 where: bonds (distance) C4'-P energy: -137.171 bonds (distance) P-C4' energy: -153.546 flat angles C4'-P-C4' energy: -129.068 flat angles P-C4'-P energy: -79.795 tors. eta vs tors. theta energy: -16.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -671.759047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.759047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.759047 (E_RNA) where: Base-Base interactions energy: -268.825 where: short stacking energy: -175.686 Base-Backbone interact. energy: -3.565 local terms energy: -399.369313 where: bonds (distance) C4'-P energy: -130.827 bonds (distance) P-C4' energy: -130.505 flat angles C4'-P-C4' energy: -127.927 flat angles P-C4'-P energy: -37.751 tors. eta vs tors. theta energy: 27.640 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: 8 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -2675.582771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.582771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.582771 (E_RNA) where: Base-Base interactions energy: -1857.855 where: short stacking energy: -760.348 Base-Backbone interact. energy: -10.077 local terms energy: -807.650311 where: bonds (distance) C4'-P energy: -146.785 bonds (distance) P-C4' energy: -144.725 flat angles C4'-P-C4' energy: -175.534 flat angles P-C4'-P energy: -122.564 tors. eta vs tors. theta energy: -218.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -2630.502127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.502127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.502127 (E_RNA) where: Base-Base interactions energy: -1803.755 where: short stacking energy: -737.523 Base-Backbone interact. energy: -0.279 local terms energy: -826.467989 where: bonds (distance) C4'-P energy: -161.234 bonds (distance) P-C4' energy: -156.990 flat angles C4'-P-C4' energy: -182.771 flat angles P-C4'-P energy: -117.463 tors. eta vs tors. theta energy: -208.010 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: 2 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -2481.146620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.146620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.146620 (E_RNA) where: Base-Base interactions energy: -1692.050 where: short stacking energy: -720.867 Base-Backbone interact. energy: -1.375 local terms energy: -787.721936 where: bonds (distance) C4'-P energy: -148.931 bonds (distance) P-C4' energy: -155.754 flat angles C4'-P-C4' energy: -177.417 flat angles P-C4'-P energy: -105.493 tors. eta vs tors. theta energy: -200.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -2335.676064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.676064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.676064 (E_RNA) where: Base-Base interactions energy: -1570.206 where: short stacking energy: -694.468 Base-Backbone interact. energy: -6.547 local terms energy: -758.922642 where: bonds (distance) C4'-P energy: -142.637 bonds (distance) P-C4' energy: -149.302 flat angles C4'-P-C4' energy: -175.134 flat angles P-C4'-P energy: -107.185 tors. eta vs tors. theta energy: -184.664 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: 5 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -2126.528650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.528650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.528650 (E_RNA) where: Base-Base interactions energy: -1398.650 where: short stacking energy: -617.737 Base-Backbone interact. energy: 0.267 local terms energy: -728.146175 where: bonds (distance) C4'-P energy: -144.288 bonds (distance) P-C4' energy: -149.165 flat angles C4'-P-C4' energy: -168.675 flat angles P-C4'-P energy: -112.315 tors. eta vs tors. theta energy: -153.703 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: 6, replica: 6 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -1864.889403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.889403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.889403 (E_RNA) where: Base-Base interactions energy: -1228.428 where: short stacking energy: -580.492 Base-Backbone interact. energy: -0.565 local terms energy: -635.896539 where: bonds (distance) C4'-P energy: -118.902 bonds (distance) P-C4' energy: -147.088 flat angles C4'-P-C4' energy: -149.059 flat angles P-C4'-P energy: -93.566 tors. eta vs tors. theta energy: -127.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1502.882767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.882767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.882767 (E_RNA) where: Base-Base interactions energy: -921.153 where: short stacking energy: -410.224 Base-Backbone interact. energy: -3.060 local terms energy: -578.669880 where: bonds (distance) C4'-P energy: -138.392 bonds (distance) P-C4' energy: -140.562 flat angles C4'-P-C4' energy: -135.979 flat angles P-C4'-P energy: -82.368 tors. eta vs tors. theta energy: -81.369 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: 3 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1160.801384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.801384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.801384 (E_RNA) where: Base-Base interactions energy: -628.546 where: short stacking energy: -314.118 Base-Backbone interact. energy: -2.452 local terms energy: -529.803373 where: bonds (distance) C4'-P energy: -137.665 bonds (distance) P-C4' energy: -150.392 flat angles C4'-P-C4' energy: -124.209 flat angles P-C4'-P energy: -84.868 tors. eta vs tors. theta energy: -32.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -928.607670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.607670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.607670 (E_RNA) where: Base-Base interactions energy: -461.181 where: short stacking energy: -252.915 Base-Backbone interact. energy: -0.840 local terms energy: -466.586692 where: bonds (distance) C4'-P energy: -113.949 bonds (distance) P-C4' energy: -138.371 flat angles C4'-P-C4' energy: -111.780 flat angles P-C4'-P energy: -82.866 tors. eta vs tors. theta energy: -19.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -656.451252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.451252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.451252 (E_RNA) where: Base-Base interactions energy: -261.180 where: short stacking energy: -182.176 Base-Backbone interact. energy: 5.806 local terms energy: -401.076948 where: bonds (distance) C4'-P energy: -130.508 bonds (distance) P-C4' energy: -142.711 flat angles C4'-P-C4' energy: -106.519 flat angles P-C4'-P energy: -53.681 tors. eta vs tors. theta energy: 32.342 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: 1, replica: 8 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -2695.148618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.148618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.148618 (E_RNA) where: Base-Base interactions energy: -1842.587 where: short stacking energy: -778.936 Base-Backbone interact. energy: -4.430 local terms energy: -848.131331 where: bonds (distance) C4'-P energy: -148.380 bonds (distance) P-C4' energy: -176.487 flat angles C4'-P-C4' energy: -187.815 flat angles P-C4'-P energy: -119.996 tors. eta vs tors. theta energy: -215.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2644.171362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.171362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.171362 (E_RNA) where: Base-Base interactions energy: -1809.356 where: short stacking energy: -757.543 Base-Backbone interact. energy: -1.912 local terms energy: -832.902983 where: bonds (distance) C4'-P energy: -159.493 bonds (distance) P-C4' energy: -165.463 flat angles C4'-P-C4' energy: -170.623 flat angles P-C4'-P energy: -118.126 tors. eta vs tors. theta energy: -219.198 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: 2 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -2534.157992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.157992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.157992 (E_RNA) where: Base-Base interactions energy: -1746.175 where: short stacking energy: -736.047 Base-Backbone interact. energy: 0.764 local terms energy: -788.747074 where: bonds (distance) C4'-P energy: -137.334 bonds (distance) P-C4' energy: -161.243 flat angles C4'-P-C4' energy: -167.721 flat angles P-C4'-P energy: -103.093 tors. eta vs tors. theta energy: -219.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -2337.420892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.420892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.420892 (E_RNA) where: Base-Base interactions energy: -1590.921 where: short stacking energy: -669.429 Base-Backbone interact. energy: 2.550 local terms energy: -749.049689 where: bonds (distance) C4'-P energy: -157.320 bonds (distance) P-C4' energy: -142.142 flat angles C4'-P-C4' energy: -167.923 flat angles P-C4'-P energy: -100.455 tors. eta vs tors. theta energy: -181.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -2144.967350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.967350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.967350 (E_RNA) where: Base-Base interactions energy: -1424.191 where: short stacking energy: -645.352 Base-Backbone interact. energy: -2.142 local terms energy: -718.634767 where: bonds (distance) C4'-P energy: -153.173 bonds (distance) P-C4' energy: -153.745 flat angles C4'-P-C4' energy: -153.161 flat angles P-C4'-P energy: -88.746 tors. eta vs tors. theta energy: -169.809 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: 6, replica: 6 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -1900.810500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.810500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.810500 (E_RNA) where: Base-Base interactions energy: -1219.413 where: short stacking energy: -598.397 Base-Backbone interact. energy: -3.278 local terms energy: -678.119420 where: bonds (distance) C4'-P energy: -129.625 bonds (distance) P-C4' energy: -141.443 flat angles C4'-P-C4' energy: -156.677 flat angles P-C4'-P energy: -95.802 tors. eta vs tors. theta energy: -154.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1534.686378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.686378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.686378 (E_RNA) where: Base-Base interactions energy: -945.861 where: short stacking energy: -467.060 Base-Backbone interact. energy: -1.219 local terms energy: -587.606713 where: bonds (distance) C4'-P energy: -133.930 bonds (distance) P-C4' energy: -134.233 flat angles C4'-P-C4' energy: -144.697 flat angles P-C4'-P energy: -82.596 tors. eta vs tors. theta energy: -92.151 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: 3 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1118.304056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.304056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.304056 (E_RNA) where: Base-Base interactions energy: -590.944 where: short stacking energy: -324.571 Base-Backbone interact. energy: -3.357 local terms energy: -524.003547 where: bonds (distance) C4'-P energy: -137.306 bonds (distance) P-C4' energy: -135.663 flat angles C4'-P-C4' energy: -147.404 flat angles P-C4'-P energy: -64.440 tors. eta vs tors. theta energy: -39.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -941.298170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.298170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.298170 (E_RNA) where: Base-Base interactions energy: -465.827 where: short stacking energy: -254.253 Base-Backbone interact. energy: 2.362 local terms energy: -477.834021 where: bonds (distance) C4'-P energy: -126.271 bonds (distance) P-C4' energy: -150.774 flat angles C4'-P-C4' energy: -121.896 flat angles P-C4'-P energy: -76.578 tors. eta vs tors. theta energy: -2.315 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: 7 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -601.181155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.181155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.181155 (E_RNA) where: Base-Base interactions energy: -201.339 where: short stacking energy: -154.604 Base-Backbone interact. energy: 8.527 local terms energy: -408.369192 where: bonds (distance) C4'-P energy: -127.198 bonds (distance) P-C4' energy: -140.095 flat angles C4'-P-C4' energy: -98.429 flat angles P-C4'-P energy: -63.078 tors. eta vs tors. theta energy: 20.430 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: 281 Temperature: 0.900000 Total energy: -2717.278502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.278502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.278502 (E_RNA) where: Base-Base interactions energy: -1882.450 where: short stacking energy: -763.106 Base-Backbone interact. energy: -9.021 local terms energy: -825.807736 where: bonds (distance) C4'-P energy: -160.648 bonds (distance) P-C4' energy: -144.227 flat angles C4'-P-C4' energy: -170.699 flat angles P-C4'-P energy: -119.034 tors. eta vs tors. theta energy: -231.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -2614.736222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.736222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.736222 (E_RNA) where: Base-Base interactions energy: -1782.794 where: short stacking energy: -735.786 Base-Backbone interact. energy: -0.029 local terms energy: -831.912330 where: bonds (distance) C4'-P energy: -146.331 bonds (distance) P-C4' energy: -181.248 flat angles C4'-P-C4' energy: -178.359 flat angles P-C4'-P energy: -118.009 tors. eta vs tors. theta energy: -207.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -2490.650608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.650608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.650608 (E_RNA) where: Base-Base interactions energy: -1716.465 where: short stacking energy: -719.666 Base-Backbone interact. energy: 0.370 local terms energy: -774.555812 where: bonds (distance) C4'-P energy: -143.795 bonds (distance) P-C4' energy: -136.356 flat angles C4'-P-C4' energy: -184.692 flat angles P-C4'-P energy: -102.115 tors. eta vs tors. theta energy: -207.598 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: 4 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -2277.147640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.147640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.147640 (E_RNA) where: Base-Base interactions energy: -1502.602 where: short stacking energy: -645.885 Base-Backbone interact. energy: -3.382 local terms energy: -771.163275 where: bonds (distance) C4'-P energy: -159.574 bonds (distance) P-C4' energy: -147.812 flat angles C4'-P-C4' energy: -161.493 flat angles P-C4'-P energy: -108.468 tors. eta vs tors. theta energy: -193.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -2152.966496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.966496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.966496 (E_RNA) where: Base-Base interactions energy: -1444.183 where: short stacking energy: -659.294 Base-Backbone interact. energy: -1.621 local terms energy: -707.162202 where: bonds (distance) C4'-P energy: -134.543 bonds (distance) P-C4' energy: -155.073 flat angles C4'-P-C4' energy: -145.511 flat angles P-C4'-P energy: -91.532 tors. eta vs tors. theta energy: -180.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -1842.547867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.547867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.547867 (E_RNA) where: Base-Base interactions energy: -1219.098 where: short stacking energy: -552.680 Base-Backbone interact. energy: 0.415 local terms energy: -623.865488 where: bonds (distance) C4'-P energy: -119.704 bonds (distance) P-C4' energy: -139.192 flat angles C4'-P-C4' energy: -148.803 flat angles P-C4'-P energy: -88.676 tors. eta vs tors. theta energy: -127.490 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: 7, replica: 10 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1474.484025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.484025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.484025 (E_RNA) where: Base-Base interactions energy: -904.127 where: short stacking energy: -403.728 Base-Backbone interact. energy: 1.359 local terms energy: -571.716245 where: bonds (distance) C4'-P energy: -100.756 bonds (distance) P-C4' energy: -157.820 flat angles C4'-P-C4' energy: -143.636 flat angles P-C4'-P energy: -90.005 tors. eta vs tors. theta energy: -79.499 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: 281 Temperature: 1.250000 Total energy: -1157.822725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.822725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.822725 (E_RNA) where: Base-Base interactions energy: -637.070 where: short stacking energy: -347.289 Base-Backbone interact. energy: -2.496 local terms energy: -518.256435 where: bonds (distance) C4'-P energy: -126.821 bonds (distance) P-C4' energy: -139.784 flat angles C4'-P-C4' energy: -131.082 flat angles P-C4'-P energy: -79.870 tors. eta vs tors. theta energy: -40.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -935.231407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.231407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.231407 (E_RNA) where: Base-Base interactions energy: -469.510 where: short stacking energy: -262.527 Base-Backbone interact. energy: 1.672 local terms energy: -467.393290 where: bonds (distance) C4'-P energy: -124.034 bonds (distance) P-C4' energy: -138.968 flat angles C4'-P-C4' energy: -122.530 flat angles P-C4'-P energy: -67.276 tors. eta vs tors. theta energy: -14.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -627.126670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.126670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.126670 (E_RNA) where: Base-Base interactions energy: -228.857 where: short stacking energy: -202.415 Base-Backbone interact. energy: 4.769 local terms energy: -403.038452 where: bonds (distance) C4'-P energy: -126.254 bonds (distance) P-C4' energy: -132.871 flat angles C4'-P-C4' energy: -116.005 flat angles P-C4'-P energy: -59.358 tors. eta vs tors. theta energy: 31.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -2709.801803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.801803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.801803 (E_RNA) where: Base-Base interactions energy: -1866.228 where: short stacking energy: -762.194 Base-Backbone interact. energy: -8.586 local terms energy: -834.988557 where: bonds (distance) C4'-P energy: -160.804 bonds (distance) P-C4' energy: -157.482 flat angles C4'-P-C4' energy: -175.573 flat angles P-C4'-P energy: -120.207 tors. eta vs tors. theta energy: -220.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2629.397702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.397702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.397702 (E_RNA) where: Base-Base interactions energy: -1786.169 where: short stacking energy: -727.887 Base-Backbone interact. energy: -4.816 local terms energy: -838.411942 where: bonds (distance) C4'-P energy: -160.604 bonds (distance) P-C4' energy: -171.849 flat angles C4'-P-C4' energy: -191.293 flat angles P-C4'-P energy: -114.508 tors. eta vs tors. theta energy: -200.159 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: 3, replica: 2 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -2548.709541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.709541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.709541 (E_RNA) where: Base-Base interactions energy: -1734.911 where: short stacking energy: -752.352 Base-Backbone interact. energy: -1.474 local terms energy: -812.324490 where: bonds (distance) C4'-P energy: -143.148 bonds (distance) P-C4' energy: -162.902 flat angles C4'-P-C4' energy: -174.935 flat angles P-C4'-P energy: -110.739 tors. eta vs tors. theta energy: -220.601 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: 4, replica: 4 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -2299.065908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.065908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.065908 (E_RNA) where: Base-Base interactions energy: -1534.864 where: short stacking energy: -646.982 Base-Backbone interact. energy: -5.235 local terms energy: -758.966686 where: bonds (distance) C4'-P energy: -151.962 bonds (distance) P-C4' energy: -145.625 flat angles C4'-P-C4' energy: -174.386 flat angles P-C4'-P energy: -116.065 tors. eta vs tors. theta energy: -170.928 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: 5, replica: 5 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -2213.657331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.657331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.657331 (E_RNA) where: Base-Base interactions energy: -1449.661 where: short stacking energy: -645.455 Base-Backbone interact. energy: -3.000 local terms energy: -760.996028 where: bonds (distance) C4'-P energy: -130.355 bonds (distance) P-C4' energy: -168.511 flat angles C4'-P-C4' energy: -168.647 flat angles P-C4'-P energy: -107.164 tors. eta vs tors. theta energy: -186.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -1842.276694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.276694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.276694 (E_RNA) where: Base-Base interactions energy: -1196.584 where: short stacking energy: -545.259 Base-Backbone interact. energy: 0.523 local terms energy: -646.215209 where: bonds (distance) C4'-P energy: -144.082 bonds (distance) P-C4' energy: -147.376 flat angles C4'-P-C4' energy: -148.683 flat angles P-C4'-P energy: -73.097 tors. eta vs tors. theta energy: -132.976 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: 7, replica: 10 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1487.299977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.299977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.299977 (E_RNA) where: Base-Base interactions energy: -902.412 where: short stacking energy: -416.478 Base-Backbone interact. energy: -2.277 local terms energy: -582.611114 where: bonds (distance) C4'-P energy: -113.002 bonds (distance) P-C4' energy: -143.804 flat angles C4'-P-C4' energy: -131.523 flat angles P-C4'-P energy: -96.515 tors. eta vs tors. theta energy: -97.768 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: 8, replica: 3 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1153.904850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.904850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.904850 (E_RNA) where: Base-Base interactions energy: -645.736 where: short stacking energy: -329.429 Base-Backbone interact. energy: 1.782 local terms energy: -509.951189 where: bonds (distance) C4'-P energy: -125.718 bonds (distance) P-C4' energy: -153.226 flat angles C4'-P-C4' energy: -122.856 flat angles P-C4'-P energy: -65.193 tors. eta vs tors. theta energy: -42.958 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: 9 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -908.342613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.342613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.342613 (E_RNA) where: Base-Base interactions energy: -414.226 where: short stacking energy: -255.996 Base-Backbone interact. energy: 1.016 local terms energy: -495.132844 where: bonds (distance) C4'-P energy: -145.688 bonds (distance) P-C4' energy: -133.139 flat angles C4'-P-C4' energy: -123.351 flat angles P-C4'-P energy: -72.040 tors. eta vs tors. theta energy: -20.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -606.560996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.560996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.560996 (E_RNA) where: Base-Base interactions energy: -215.139 where: short stacking energy: -163.371 Base-Backbone interact. energy: -0.957 local terms energy: -390.465075 where: bonds (distance) C4'-P energy: -118.110 bonds (distance) P-C4' energy: -119.812 flat angles C4'-P-C4' energy: -101.360 flat angles P-C4'-P energy: -65.708 tors. eta vs tors. theta energy: 14.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -2684.676779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.676779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.676779 (E_RNA) where: Base-Base interactions energy: -1848.175 where: short stacking energy: -748.832 Base-Backbone interact. energy: -6.616 local terms energy: -829.885622 where: bonds (distance) C4'-P energy: -176.219 bonds (distance) P-C4' energy: -154.223 flat angles C4'-P-C4' energy: -176.118 flat angles P-C4'-P energy: -112.580 tors. eta vs tors. theta energy: -210.746 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: 1 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2625.584606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.584606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.584606 (E_RNA) where: Base-Base interactions energy: -1821.524 where: short stacking energy: -740.397 Base-Backbone interact. energy: -5.806 local terms energy: -798.254814 where: bonds (distance) C4'-P energy: -147.262 bonds (distance) P-C4' energy: -149.581 flat angles C4'-P-C4' energy: -172.171 flat angles P-C4'-P energy: -123.250 tors. eta vs tors. theta energy: -205.991 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: 2 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -2481.148454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.148454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.148454 (E_RNA) where: Base-Base interactions energy: -1684.339 where: short stacking energy: -728.570 Base-Backbone interact. energy: -2.465 local terms energy: -794.343988 where: bonds (distance) C4'-P energy: -130.074 bonds (distance) P-C4' energy: -154.308 flat angles C4'-P-C4' energy: -178.568 flat angles P-C4'-P energy: -114.093 tors. eta vs tors. theta energy: -217.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -2272.153606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.153606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.153606 (E_RNA) where: Base-Base interactions energy: -1509.017 where: short stacking energy: -650.910 Base-Backbone interact. energy: -1.120 local terms energy: -762.016294 where: bonds (distance) C4'-P energy: -138.942 bonds (distance) P-C4' energy: -161.718 flat angles C4'-P-C4' energy: -159.526 flat angles P-C4'-P energy: -122.306 tors. eta vs tors. theta energy: -179.523 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: 5, replica: 4 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -2173.070457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.070457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.070457 (E_RNA) where: Base-Base interactions energy: -1449.261 where: short stacking energy: -633.761 Base-Backbone interact. energy: 4.769 local terms energy: -728.578851 where: bonds (distance) C4'-P energy: -133.390 bonds (distance) P-C4' energy: -153.962 flat angles C4'-P-C4' energy: -150.802 flat angles P-C4'-P energy: -113.955 tors. eta vs tors. theta energy: -176.469 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: 6, replica: 6 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1893.884834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.884834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.884834 (E_RNA) where: Base-Base interactions energy: -1220.561 where: short stacking energy: -561.285 Base-Backbone interact. energy: -0.433 local terms energy: -672.890878 where: bonds (distance) C4'-P energy: -139.529 bonds (distance) P-C4' energy: -130.388 flat angles C4'-P-C4' energy: -150.237 flat angles P-C4'-P energy: -98.954 tors. eta vs tors. theta energy: -153.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1455.563953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.563953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.563953 (E_RNA) where: Base-Base interactions energy: -876.957 where: short stacking energy: -426.169 Base-Backbone interact. energy: -5.076 local terms energy: -573.531425 where: bonds (distance) C4'-P energy: -136.785 bonds (distance) P-C4' energy: -136.984 flat angles C4'-P-C4' energy: -129.228 flat angles P-C4'-P energy: -89.505 tors. eta vs tors. theta energy: -81.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -1164.759464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.759464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.759464 (E_RNA) where: Base-Base interactions energy: -652.180 where: short stacking energy: -346.998 Base-Backbone interact. energy: -1.061 local terms energy: -511.519037 where: bonds (distance) C4'-P energy: -132.106 bonds (distance) P-C4' energy: -121.360 flat angles C4'-P-C4' energy: -137.570 flat angles P-C4'-P energy: -83.844 tors. eta vs tors. theta energy: -36.639 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: 9 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -809.535289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.535289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.535289 (E_RNA) where: Base-Base interactions energy: -388.567 where: short stacking energy: -246.254 Base-Backbone interact. energy: 2.705 local terms energy: -423.673065 where: bonds (distance) C4'-P energy: -113.234 bonds (distance) P-C4' energy: -127.999 flat angles C4'-P-C4' energy: -115.636 flat angles P-C4'-P energy: -69.259 tors. eta vs tors. theta energy: 2.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -654.961292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.961292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.961292 (E_RNA) where: Base-Base interactions energy: -246.054 where: short stacking energy: -212.554 Base-Backbone interact. energy: 4.809 local terms energy: -413.715771 where: bonds (distance) C4'-P energy: -115.239 bonds (distance) P-C4' energy: -139.291 flat angles C4'-P-C4' energy: -105.646 flat angles P-C4'-P energy: -61.149 tors. eta vs tors. theta energy: 7.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -2687.096767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.096767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.096767 (E_RNA) where: Base-Base interactions energy: -1843.667 where: short stacking energy: -756.984 Base-Backbone interact. energy: -6.950 local terms energy: -836.480607 where: bonds (distance) C4'-P energy: -172.274 bonds (distance) P-C4' energy: -154.820 flat angles C4'-P-C4' energy: -170.200 flat angles P-C4'-P energy: -119.496 tors. eta vs tors. theta energy: -219.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -2626.291644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.291644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.291644 (E_RNA) where: Base-Base interactions energy: -1821.571 where: short stacking energy: -744.541 Base-Backbone interact. energy: -1.853 local terms energy: -802.867507 where: bonds (distance) C4'-P energy: -145.921 bonds (distance) P-C4' energy: -166.340 flat angles C4'-P-C4' energy: -180.086 flat angles P-C4'-P energy: -97.601 tors. eta vs tors. theta energy: -212.919 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: 2 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -2464.770684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.770684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.770684 (E_RNA) where: Base-Base interactions energy: -1684.472 where: short stacking energy: -701.388 Base-Backbone interact. energy: -6.971 local terms energy: -773.327088 where: bonds (distance) C4'-P energy: -140.410 bonds (distance) P-C4' energy: -148.618 flat angles C4'-P-C4' energy: -166.692 flat angles P-C4'-P energy: -107.376 tors. eta vs tors. theta energy: -210.231 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: 5 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -2341.358893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.358893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.358893 (E_RNA) where: Base-Base interactions energy: -1547.267 where: short stacking energy: -687.422 Base-Backbone interact. energy: 0.090 local terms energy: -794.181941 where: bonds (distance) C4'-P energy: -148.701 bonds (distance) P-C4' energy: -146.782 flat angles C4'-P-C4' energy: -175.025 flat angles P-C4'-P energy: -125.560 tors. eta vs tors. theta energy: -198.114 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: 4 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -2172.508143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.508143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.508143 (E_RNA) where: Base-Base interactions energy: -1459.057 where: short stacking energy: -645.023 Base-Backbone interact. energy: -2.531 local terms energy: -710.920313 where: bonds (distance) C4'-P energy: -143.054 bonds (distance) P-C4' energy: -142.256 flat angles C4'-P-C4' energy: -155.951 flat angles P-C4'-P energy: -100.860 tors. eta vs tors. theta energy: -168.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -1867.977738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.977738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.977738 (E_RNA) where: Base-Base interactions energy: -1243.206 where: short stacking energy: -567.496 Base-Backbone interact. energy: -4.617 local terms energy: -620.155591 where: bonds (distance) C4'-P energy: -132.481 bonds (distance) P-C4' energy: -131.708 flat angles C4'-P-C4' energy: -146.786 flat angles P-C4'-P energy: -82.579 tors. eta vs tors. theta energy: -126.602 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: 10 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1454.773312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.773312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.773312 (E_RNA) where: Base-Base interactions energy: -857.055 where: short stacking energy: -377.347 Base-Backbone interact. energy: -1.075 local terms energy: -596.642929 where: bonds (distance) C4'-P energy: -148.840 bonds (distance) P-C4' energy: -150.658 flat angles C4'-P-C4' energy: -140.736 flat angles P-C4'-P energy: -102.853 tors. eta vs tors. theta energy: -53.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1116.143957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.143957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.143957 (E_RNA) where: Base-Base interactions energy: -618.607 where: short stacking energy: -292.630 Base-Backbone interact. energy: -2.318 local terms energy: -495.218572 where: bonds (distance) C4'-P energy: -144.337 bonds (distance) P-C4' energy: -135.562 flat angles C4'-P-C4' energy: -110.428 flat angles P-C4'-P energy: -78.905 tors. eta vs tors. theta energy: -25.987 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: 9, replica: 9 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -915.049002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.049002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.049002 (E_RNA) where: Base-Base interactions energy: -480.136 where: short stacking energy: -234.604 Base-Backbone interact. energy: 6.295 local terms energy: -441.208258 where: bonds (distance) C4'-P energy: -112.963 bonds (distance) P-C4' energy: -132.327 flat angles C4'-P-C4' energy: -104.474 flat angles P-C4'-P energy: -89.221 tors. eta vs tors. theta energy: -2.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -588.493321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.493321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.493321 (E_RNA) where: Base-Base interactions energy: -194.561 where: short stacking energy: -160.608 Base-Backbone interact. energy: 1.131 local terms energy: -395.063589 where: bonds (distance) C4'-P energy: -127.971 bonds (distance) P-C4' energy: -136.089 flat angles C4'-P-C4' energy: -106.729 flat angles P-C4'-P energy: -57.981 tors. eta vs tors. theta energy: 33.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -2687.489723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.489723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.489723 (E_RNA) where: Base-Base interactions energy: -1881.026 where: short stacking energy: -752.089 Base-Backbone interact. energy: 0.254 local terms energy: -806.717916 where: bonds (distance) C4'-P energy: -165.796 bonds (distance) P-C4' energy: -141.883 flat angles C4'-P-C4' energy: -177.607 flat angles P-C4'-P energy: -110.405 tors. eta vs tors. theta energy: -211.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2633.404624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.404624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.404624 (E_RNA) where: Base-Base interactions energy: -1812.077 where: short stacking energy: -757.767 Base-Backbone interact. energy: -3.161 local terms energy: -818.166993 where: bonds (distance) C4'-P energy: -139.948 bonds (distance) P-C4' energy: -157.294 flat angles C4'-P-C4' energy: -177.266 flat angles P-C4'-P energy: -130.581 tors. eta vs tors. theta energy: -213.078 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: 3, replica: 2 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -2490.448662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.448662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.448662 (E_RNA) where: Base-Base interactions energy: -1720.297 where: short stacking energy: -700.272 Base-Backbone interact. energy: -4.302 local terms energy: -765.849323 where: bonds (distance) C4'-P energy: -158.766 bonds (distance) P-C4' energy: -158.999 flat angles C4'-P-C4' energy: -152.030 flat angles P-C4'-P energy: -97.029 tors. eta vs tors. theta energy: -199.025 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: 5 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -2273.728463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.728463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.728463 (E_RNA) where: Base-Base interactions energy: -1501.581 where: short stacking energy: -671.246 Base-Backbone interact. energy: -4.819 local terms energy: -767.328970 where: bonds (distance) C4'-P energy: -144.492 bonds (distance) P-C4' energy: -159.527 flat angles C4'-P-C4' energy: -169.463 flat angles P-C4'-P energy: -102.342 tors. eta vs tors. theta energy: -191.505 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: 4 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -2207.511217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.511217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.511217 (E_RNA) where: Base-Base interactions energy: -1491.652 where: short stacking energy: -624.212 Base-Backbone interact. energy: -1.601 local terms energy: -714.258115 where: bonds (distance) C4'-P energy: -129.444 bonds (distance) P-C4' energy: -127.543 flat angles C4'-P-C4' energy: -170.849 flat angles P-C4'-P energy: -105.552 tors. eta vs tors. theta energy: -180.870 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: 6, replica: 6 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1923.905645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.905645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.905645 (E_RNA) where: Base-Base interactions energy: -1246.290 where: short stacking energy: -556.785 Base-Backbone interact. energy: -1.835 local terms energy: -675.780947 where: bonds (distance) C4'-P energy: -150.496 bonds (distance) P-C4' energy: -142.859 flat angles C4'-P-C4' energy: -151.030 flat angles P-C4'-P energy: -91.443 tors. eta vs tors. theta energy: -139.953 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: 7, replica: 10 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1512.383838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.383838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.383838 (E_RNA) where: Base-Base interactions energy: -927.396 where: short stacking energy: -411.843 Base-Backbone interact. energy: -0.137 local terms energy: -584.851190 where: bonds (distance) C4'-P energy: -134.697 bonds (distance) P-C4' energy: -125.162 flat angles C4'-P-C4' energy: -149.291 flat angles P-C4'-P energy: -98.423 tors. eta vs tors. theta energy: -77.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1116.951145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.951145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.951145 (E_RNA) where: Base-Base interactions energy: -627.514 where: short stacking energy: -313.167 Base-Backbone interact. energy: -0.729 local terms energy: -488.708794 where: bonds (distance) C4'-P energy: -134.948 bonds (distance) P-C4' energy: -139.842 flat angles C4'-P-C4' energy: -92.327 flat angles P-C4'-P energy: -94.474 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: 9, replica: 9 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -905.510471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.510471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.510471 (E_RNA) where: Base-Base interactions energy: -448.934 where: short stacking energy: -252.593 Base-Backbone interact. energy: 2.453 local terms energy: -459.029303 where: bonds (distance) C4'-P energy: -129.071 bonds (distance) P-C4' energy: -138.106 flat angles C4'-P-C4' energy: -120.373 flat angles P-C4'-P energy: -72.184 tors. eta vs tors. theta energy: 0.704 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: 7 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -622.368595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.368595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.368595 (E_RNA) where: Base-Base interactions energy: -236.847 where: short stacking energy: -165.611 Base-Backbone interact. energy: 6.195 local terms energy: -391.716193 where: bonds (distance) C4'-P energy: -128.360 bonds (distance) P-C4' energy: -136.372 flat angles C4'-P-C4' energy: -98.299 flat angles P-C4'-P energy: -74.116 tors. eta vs tors. theta energy: 45.431 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: 286 Temperature: 0.900000 Total energy: -2674.557900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.557900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.557900 (E_RNA) where: Base-Base interactions energy: -1859.742 where: short stacking energy: -749.367 Base-Backbone interact. energy: -5.654 local terms energy: -809.162232 where: bonds (distance) C4'-P energy: -147.226 bonds (distance) P-C4' energy: -171.567 flat angles C4'-P-C4' energy: -168.703 flat angles P-C4'-P energy: -108.315 tors. eta vs tors. theta energy: -213.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2599.279637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.279637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.279637 (E_RNA) where: Base-Base interactions energy: -1821.302 where: short stacking energy: -748.160 Base-Backbone interact. energy: -2.934 local terms energy: -775.043535 where: bonds (distance) C4'-P energy: -127.274 bonds (distance) P-C4' energy: -155.217 flat angles C4'-P-C4' energy: -167.944 flat angles P-C4'-P energy: -111.794 tors. eta vs tors. theta energy: -212.815 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: 3, replica: 2 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -2492.248279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.248279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.248279 (E_RNA) where: Base-Base interactions energy: -1746.025 where: short stacking energy: -686.247 Base-Backbone interact. energy: 1.320 local terms energy: -747.543578 where: bonds (distance) C4'-P energy: -130.161 bonds (distance) P-C4' energy: -151.498 flat angles C4'-P-C4' energy: -164.110 flat angles P-C4'-P energy: -117.367 tors. eta vs tors. theta energy: -184.407 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: 4, replica: 5 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -2324.823970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.823970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.823970 (E_RNA) where: Base-Base interactions energy: -1553.541 where: short stacking energy: -704.759 Base-Backbone interact. energy: -0.944 local terms energy: -770.338581 where: bonds (distance) C4'-P energy: -159.822 bonds (distance) P-C4' energy: -145.624 flat angles C4'-P-C4' energy: -156.966 flat angles P-C4'-P energy: -105.520 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: 4 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -2184.071820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.071820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.071820 (E_RNA) where: Base-Base interactions energy: -1448.404 where: short stacking energy: -601.404 Base-Backbone interact. energy: -4.760 local terms energy: -730.907378 where: bonds (distance) C4'-P energy: -139.424 bonds (distance) P-C4' energy: -136.398 flat angles C4'-P-C4' energy: -167.458 flat angles P-C4'-P energy: -114.209 tors. eta vs tors. theta energy: -173.418 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: 6 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -1877.239557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.239557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.239557 (E_RNA) where: Base-Base interactions energy: -1183.032 where: short stacking energy: -532.958 Base-Backbone interact. energy: -1.265 local terms energy: -692.942156 where: bonds (distance) C4'-P energy: -143.627 bonds (distance) P-C4' energy: -150.248 flat angles C4'-P-C4' energy: -150.143 flat angles P-C4'-P energy: -105.196 tors. eta vs tors. theta energy: -143.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1493.207913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.207913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.207913 (E_RNA) where: Base-Base interactions energy: -889.729 where: short stacking energy: -421.774 Base-Backbone interact. energy: -1.345 local terms energy: -602.134716 where: bonds (distance) C4'-P energy: -133.021 bonds (distance) P-C4' energy: -148.674 flat angles C4'-P-C4' energy: -134.720 flat angles P-C4'-P energy: -95.856 tors. eta vs tors. theta energy: -89.865 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: 3 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1141.550983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.550983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.550983 (E_RNA) where: Base-Base interactions energy: -643.604 where: short stacking energy: -306.606 Base-Backbone interact. energy: 4.395 local terms energy: -502.342151 where: bonds (distance) C4'-P energy: -130.859 bonds (distance) P-C4' energy: -143.690 flat angles C4'-P-C4' energy: -148.261 flat angles P-C4'-P energy: -65.040 tors. eta vs tors. theta energy: -14.493 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: 9, replica: 9 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -929.960147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.960147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.960147 (E_RNA) where: Base-Base interactions energy: -466.871 where: short stacking energy: -282.368 Base-Backbone interact. energy: -0.297 local terms energy: -462.791465 where: bonds (distance) C4'-P energy: -116.682 bonds (distance) P-C4' energy: -124.548 flat angles C4'-P-C4' energy: -128.201 flat angles P-C4'-P energy: -75.264 tors. eta vs tors. theta energy: -18.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -591.354235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.354235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.354235 (E_RNA) where: Base-Base interactions energy: -192.997 where: short stacking energy: -151.981 Base-Backbone interact. energy: 4.231 local terms energy: -402.587775 where: bonds (distance) C4'-P energy: -139.957 bonds (distance) P-C4' energy: -115.316 flat angles C4'-P-C4' energy: -109.762 flat angles P-C4'-P energy: -71.579 tors. eta vs tors. theta energy: 34.027 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: 8 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -2652.210593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.210593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.210593 (E_RNA) where: Base-Base interactions energy: -1831.448 where: short stacking energy: -772.193 Base-Backbone interact. energy: -0.962 local terms energy: -819.800345 where: bonds (distance) C4'-P energy: -154.960 bonds (distance) P-C4' energy: -160.437 flat angles C4'-P-C4' energy: -161.250 flat angles P-C4'-P energy: -129.333 tors. eta vs tors. theta energy: -213.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -2618.736873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.736873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.736873 (E_RNA) where: Base-Base interactions energy: -1792.971 where: short stacking energy: -742.955 Base-Backbone interact. energy: 1.757 local terms energy: -827.522071 where: bonds (distance) C4'-P energy: -150.239 bonds (distance) P-C4' energy: -169.315 flat angles C4'-P-C4' energy: -184.656 flat angles P-C4'-P energy: -108.415 tors. eta vs tors. theta energy: -214.897 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: 2 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -2475.890448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.890448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.890448 (E_RNA) where: Base-Base interactions energy: -1705.412 where: short stacking energy: -706.806 Base-Backbone interact. energy: -1.428 local terms energy: -769.050205 where: bonds (distance) C4'-P energy: -150.496 bonds (distance) P-C4' energy: -148.727 flat angles C4'-P-C4' energy: -170.117 flat angles P-C4'-P energy: -101.677 tors. eta vs tors. theta energy: -198.033 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: 4 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -2313.589530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.589530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.589530 (E_RNA) where: Base-Base interactions energy: -1579.558 where: short stacking energy: -660.178 Base-Backbone interact. energy: -6.497 local terms energy: -727.534289 where: bonds (distance) C4'-P energy: -136.841 bonds (distance) P-C4' energy: -136.212 flat angles C4'-P-C4' energy: -171.696 flat angles P-C4'-P energy: -104.171 tors. eta vs tors. theta energy: -178.614 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: 5 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -2203.338597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.338597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.338597 (E_RNA) where: Base-Base interactions energy: -1447.697 where: short stacking energy: -666.308 Base-Backbone interact. energy: 1.642 local terms energy: -757.282947 where: bonds (distance) C4'-P energy: -135.114 bonds (distance) P-C4' energy: -149.524 flat angles C4'-P-C4' energy: -170.969 flat angles P-C4'-P energy: -122.729 tors. eta vs tors. theta energy: -178.947 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: 6 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -1813.950937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.950937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.950937 (E_RNA) where: Base-Base interactions energy: -1165.017 where: short stacking energy: -535.270 Base-Backbone interact. energy: 1.882 local terms energy: -650.815951 where: bonds (distance) C4'-P energy: -137.973 bonds (distance) P-C4' energy: -143.542 flat angles C4'-P-C4' energy: -150.451 flat angles P-C4'-P energy: -93.723 tors. eta vs tors. theta energy: -125.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1489.599143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.599143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.599143 (E_RNA) where: Base-Base interactions energy: -896.613 where: short stacking energy: -440.020 Base-Backbone interact. energy: -1.185 local terms energy: -591.800854 where: bonds (distance) C4'-P energy: -146.413 bonds (distance) P-C4' energy: -129.446 flat angles C4'-P-C4' energy: -130.550 flat angles P-C4'-P energy: -80.837 tors. eta vs tors. theta energy: -104.555 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: 8, replica: 3 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1107.587591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.587591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.587591 (E_RNA) where: Base-Base interactions energy: -613.276 where: short stacking energy: -309.844 Base-Backbone interact. energy: -2.981 local terms energy: -491.330684 where: bonds (distance) C4'-P energy: -109.522 bonds (distance) P-C4' energy: -154.033 flat angles C4'-P-C4' energy: -126.503 flat angles P-C4'-P energy: -63.613 tors. eta vs tors. theta energy: -37.659 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: 9 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -915.413718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.413718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.413718 (E_RNA) where: Base-Base interactions energy: -460.777 where: short stacking energy: -266.936 Base-Backbone interact. energy: 1.363 local terms energy: -456.000274 where: bonds (distance) C4'-P energy: -119.835 bonds (distance) P-C4' energy: -117.073 flat angles C4'-P-C4' energy: -141.164 flat angles P-C4'-P energy: -65.150 tors. eta vs tors. theta energy: -12.779 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: 7 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -637.861563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.861563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.861563 (E_RNA) where: Base-Base interactions energy: -264.223 where: short stacking energy: -203.248 Base-Backbone interact. energy: -5.377 local terms energy: -368.261105 where: bonds (distance) C4'-P energy: -115.190 bonds (distance) P-C4' energy: -121.928 flat angles C4'-P-C4' energy: -103.537 flat angles P-C4'-P energy: -54.830 tors. eta vs tors. theta energy: 27.223 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: 1, replica: 8 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -2721.034974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.034974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.034974 (E_RNA) where: Base-Base interactions energy: -1873.474 where: short stacking energy: -798.667 Base-Backbone interact. energy: -0.794 local terms energy: -846.766925 where: bonds (distance) C4'-P energy: -157.253 bonds (distance) P-C4' energy: -158.885 flat angles C4'-P-C4' energy: -181.860 flat angles P-C4'-P energy: -122.571 tors. eta vs tors. theta energy: -226.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -2640.907239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.907239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.907239 (E_RNA) where: Base-Base interactions energy: -1810.698 where: short stacking energy: -777.571 Base-Backbone interact. energy: -0.749 local terms energy: -829.459858 where: bonds (distance) C4'-P energy: -154.588 bonds (distance) P-C4' energy: -167.349 flat angles C4'-P-C4' energy: -179.810 flat angles P-C4'-P energy: -113.691 tors. eta vs tors. theta energy: -214.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -2445.338899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.338899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.338899 (E_RNA) where: Base-Base interactions energy: -1634.383 where: short stacking energy: -711.122 Base-Backbone interact. energy: -7.609 local terms energy: -803.346717 where: bonds (distance) C4'-P energy: -134.079 bonds (distance) P-C4' energy: -167.812 flat angles C4'-P-C4' energy: -175.564 flat angles P-C4'-P energy: -115.400 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: 4, replica: 2 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -2365.483545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.483545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.483545 (E_RNA) where: Base-Base interactions energy: -1589.400 where: short stacking energy: -646.491 Base-Backbone interact. energy: -3.040 local terms energy: -773.042929 where: bonds (distance) C4'-P energy: -143.118 bonds (distance) P-C4' energy: -155.316 flat angles C4'-P-C4' energy: -183.737 flat angles P-C4'-P energy: -99.241 tors. eta vs tors. theta energy: -191.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -2172.646398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.646398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.646398 (E_RNA) where: Base-Base interactions energy: -1408.334 where: short stacking energy: -659.932 Base-Backbone interact. energy: -2.487 local terms energy: -761.824861 where: bonds (distance) C4'-P energy: -143.808 bonds (distance) P-C4' energy: -154.287 flat angles C4'-P-C4' energy: -172.831 flat angles P-C4'-P energy: -109.301 tors. eta vs tors. theta energy: -181.597 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: 6, replica: 6 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -1842.899741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.899741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.899741 (E_RNA) where: Base-Base interactions energy: -1193.126 where: short stacking energy: -541.012 Base-Backbone interact. energy: -3.350 local terms energy: -646.423866 where: bonds (distance) C4'-P energy: -133.849 bonds (distance) P-C4' energy: -153.726 flat angles C4'-P-C4' energy: -146.445 flat angles P-C4'-P energy: -97.013 tors. eta vs tors. theta energy: -115.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1391.219593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.219593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.219593 (E_RNA) where: Base-Base interactions energy: -830.582 where: short stacking energy: -399.731 Base-Backbone interact. energy: -0.393 local terms energy: -560.244854 where: bonds (distance) C4'-P energy: -143.776 bonds (distance) P-C4' energy: -146.354 flat angles C4'-P-C4' energy: -130.986 flat angles P-C4'-P energy: -90.599 tors. eta vs tors. theta energy: -48.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1099.871650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.871650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.871650 (E_RNA) where: Base-Base interactions energy: -604.666 where: short stacking energy: -293.412 Base-Backbone interact. energy: -2.695 local terms energy: -492.510278 where: bonds (distance) C4'-P energy: -134.209 bonds (distance) P-C4' energy: -136.568 flat angles C4'-P-C4' energy: -113.811 flat angles P-C4'-P energy: -73.724 tors. eta vs tors. theta energy: -34.198 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: 9 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -881.821643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.821643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.821643 (E_RNA) where: Base-Base interactions energy: -419.569 where: short stacking energy: -262.228 Base-Backbone interact. energy: -2.251 local terms energy: -460.001584 where: bonds (distance) C4'-P energy: -143.769 bonds (distance) P-C4' energy: -133.460 flat angles C4'-P-C4' energy: -126.516 flat angles P-C4'-P energy: -59.583 tors. eta vs tors. theta energy: 3.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -614.825697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.825697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.825697 (E_RNA) where: Base-Base interactions energy: -244.499 where: short stacking energy: -163.016 Base-Backbone interact. energy: 4.394 local terms energy: -374.720617 where: bonds (distance) C4'-P energy: -135.650 bonds (distance) P-C4' energy: -114.646 flat angles C4'-P-C4' energy: -111.882 flat angles P-C4'-P energy: -58.746 tors. eta vs tors. theta energy: 46.203 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: 1, replica: 8 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -2702.840588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.840588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.840588 (E_RNA) where: Base-Base interactions energy: -1876.842 where: short stacking energy: -796.795 Base-Backbone interact. energy: -2.794 local terms energy: -823.204220 where: bonds (distance) C4'-P energy: -144.490 bonds (distance) P-C4' energy: -156.054 flat angles C4'-P-C4' energy: -176.860 flat angles P-C4'-P energy: -120.613 tors. eta vs tors. theta energy: -225.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -2598.409151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.409151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.409151 (E_RNA) where: Base-Base interactions energy: -1801.223 where: short stacking energy: -763.627 Base-Backbone interact. energy: 0.950 local terms energy: -798.136004 where: bonds (distance) C4'-P energy: -143.159 bonds (distance) P-C4' energy: -166.201 flat angles C4'-P-C4' energy: -174.149 flat angles P-C4'-P energy: -96.451 tors. eta vs tors. theta energy: -218.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2418.424621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.424621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.424621 (E_RNA) where: Base-Base interactions energy: -1641.624 where: short stacking energy: -710.415 Base-Backbone interact. energy: -4.310 local terms energy: -772.489794 where: bonds (distance) C4'-P energy: -151.002 bonds (distance) P-C4' energy: -145.565 flat angles C4'-P-C4' energy: -172.274 flat angles P-C4'-P energy: -108.583 tors. eta vs tors. theta energy: -195.066 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: 2 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -2302.765706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.765706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.765706 (E_RNA) where: Base-Base interactions energy: -1596.863 where: short stacking energy: -686.424 Base-Backbone interact. energy: -3.675 local terms energy: -702.228233 where: bonds (distance) C4'-P energy: -123.446 bonds (distance) P-C4' energy: -135.043 flat angles C4'-P-C4' energy: -164.903 flat angles P-C4'-P energy: -106.486 tors. eta vs tors. theta energy: -172.350 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: 5, replica: 5 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -2165.030851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.030851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.030851 (E_RNA) where: Base-Base interactions energy: -1416.590 where: short stacking energy: -619.635 Base-Backbone interact. energy: -2.441 local terms energy: -745.999974 where: bonds (distance) C4'-P energy: -145.665 bonds (distance) P-C4' energy: -150.655 flat angles C4'-P-C4' energy: -176.501 flat angles P-C4'-P energy: -98.623 tors. eta vs tors. theta energy: -174.557 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: 6, replica: 6 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -1845.107902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.107902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.107902 (E_RNA) where: Base-Base interactions energy: -1167.368 where: short stacking energy: -524.284 Base-Backbone interact. energy: 2.206 local terms energy: -679.945928 where: bonds (distance) C4'-P energy: -142.902 bonds (distance) P-C4' energy: -157.557 flat angles C4'-P-C4' energy: -146.718 flat angles P-C4'-P energy: -104.485 tors. eta vs tors. theta energy: -128.285 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: 10 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1421.592674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.592674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.592674 (E_RNA) where: Base-Base interactions energy: -834.393 where: short stacking energy: -386.805 Base-Backbone interact. energy: -3.353 local terms energy: -583.846649 where: bonds (distance) C4'-P energy: -152.591 bonds (distance) P-C4' energy: -139.463 flat angles C4'-P-C4' energy: -135.124 flat angles P-C4'-P energy: -89.108 tors. eta vs tors. theta energy: -67.561 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: 3 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1181.125806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.125806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.125806 (E_RNA) where: Base-Base interactions energy: -654.525 where: short stacking energy: -335.237 Base-Backbone interact. energy: -0.318 local terms energy: -526.282850 where: bonds (distance) C4'-P energy: -137.994 bonds (distance) P-C4' energy: -164.900 flat angles C4'-P-C4' energy: -120.428 flat angles P-C4'-P energy: -60.715 tors. eta vs tors. theta energy: -42.246 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: 9, replica: 9 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -844.890140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.890140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.890140 (E_RNA) where: Base-Base interactions energy: -409.454 where: short stacking energy: -253.253 Base-Backbone interact. energy: -1.190 local terms energy: -434.245484 where: bonds (distance) C4'-P energy: -94.714 bonds (distance) P-C4' energy: -151.992 flat angles C4'-P-C4' energy: -109.916 flat angles P-C4'-P energy: -65.849 tors. eta vs tors. theta energy: -11.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -623.222139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.222139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.222139 (E_RNA) where: Base-Base interactions energy: -214.829 where: short stacking energy: -157.815 Base-Backbone interact. energy: 6.339 local terms energy: -414.732107 where: bonds (distance) C4'-P energy: -102.724 bonds (distance) P-C4' energy: -145.856 flat angles C4'-P-C4' energy: -112.939 flat angles P-C4'-P energy: -85.882 tors. eta vs tors. theta energy: 32.669 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: 290 Temperature: 0.900000 Total energy: -2700.099026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.099026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.099026 (E_RNA) where: Base-Base interactions energy: -1843.003 where: short stacking energy: -757.057 Base-Backbone interact. energy: -5.176 local terms energy: -851.920770 where: bonds (distance) C4'-P energy: -155.134 bonds (distance) P-C4' energy: -150.051 flat angles C4'-P-C4' energy: -194.555 flat angles P-C4'-P energy: -137.831 tors. eta vs tors. theta energy: -214.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2574.693343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.693343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.693343 (E_RNA) where: Base-Base interactions energy: -1770.647 where: short stacking energy: -740.163 Base-Backbone interact. energy: -2.440 local terms energy: -801.606029 where: bonds (distance) C4'-P energy: -170.553 bonds (distance) P-C4' energy: -151.216 flat angles C4'-P-C4' energy: -176.922 flat angles P-C4'-P energy: -96.858 tors. eta vs tors. theta energy: -206.057 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: 4 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2405.008618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.008618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.008618 (E_RNA) where: Base-Base interactions energy: -1617.127 where: short stacking energy: -725.783 Base-Backbone interact. energy: -4.882 local terms energy: -782.999890 where: bonds (distance) C4'-P energy: -134.836 bonds (distance) P-C4' energy: -172.187 flat angles C4'-P-C4' energy: -162.662 flat angles P-C4'-P energy: -114.358 tors. eta vs tors. theta energy: -198.957 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: 2 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -2378.878547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.878547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.878547 (E_RNA) where: Base-Base interactions energy: -1592.394 where: short stacking energy: -682.632 Base-Backbone interact. energy: -4.823 local terms energy: -781.661286 where: bonds (distance) C4'-P energy: -163.870 bonds (distance) P-C4' energy: -157.232 flat angles C4'-P-C4' energy: -155.361 flat angles P-C4'-P energy: -112.920 tors. eta vs tors. theta energy: -192.277 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: 290 Temperature: 1.100000 Total energy: -2157.180071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.180071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.180071 (E_RNA) where: Base-Base interactions energy: -1424.620 where: short stacking energy: -647.956 Base-Backbone interact. energy: -4.104 local terms energy: -728.456148 where: bonds (distance) C4'-P energy: -142.559 bonds (distance) P-C4' energy: -141.501 flat angles C4'-P-C4' energy: -166.104 flat angles P-C4'-P energy: -106.412 tors. eta vs tors. theta energy: -171.880 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: 6 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -1826.736246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.736246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.736246 (E_RNA) where: Base-Base interactions energy: -1148.583 where: short stacking energy: -527.945 Base-Backbone interact. energy: -3.837 local terms energy: -674.315981 where: bonds (distance) C4'-P energy: -143.710 bonds (distance) P-C4' energy: -168.201 flat angles C4'-P-C4' energy: -137.922 flat angles P-C4'-P energy: -94.220 tors. eta vs tors. theta energy: -130.263 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: 10 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1413.503012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.503012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.503012 (E_RNA) where: Base-Base interactions energy: -857.612 where: short stacking energy: -425.619 Base-Backbone interact. energy: -2.537 local terms energy: -553.354053 where: bonds (distance) C4'-P energy: -117.489 bonds (distance) P-C4' energy: -126.924 flat angles C4'-P-C4' energy: -134.516 flat angles P-C4'-P energy: -91.011 tors. eta vs tors. theta energy: -83.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1236.311859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.311859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.311859 (E_RNA) where: Base-Base interactions energy: -717.509 where: short stacking energy: -360.684 Base-Backbone interact. energy: -3.081 local terms energy: -515.721152 where: bonds (distance) C4'-P energy: -122.089 bonds (distance) P-C4' energy: -125.264 flat angles C4'-P-C4' energy: -155.758 flat angles P-C4'-P energy: -56.886 tors. eta vs tors. theta energy: -55.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -901.841534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.841534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.841534 (E_RNA) where: Base-Base interactions energy: -457.704 where: short stacking energy: -244.832 Base-Backbone interact. energy: -0.501 local terms energy: -443.637041 where: bonds (distance) C4'-P energy: -130.252 bonds (distance) P-C4' energy: -133.946 flat angles C4'-P-C4' energy: -134.464 flat angles P-C4'-P energy: -62.161 tors. eta vs tors. theta energy: 17.187 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: 7 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -626.799770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.799770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.799770 (E_RNA) where: Base-Base interactions energy: -247.842 where: short stacking energy: -182.122 Base-Backbone interact. energy: -3.944 local terms energy: -375.014158 where: bonds (distance) C4'-P energy: -122.515 bonds (distance) P-C4' energy: -107.949 flat angles C4'-P-C4' energy: -105.998 flat angles P-C4'-P energy: -66.345 tors. eta vs tors. theta energy: 27.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -2656.542329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.542329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.542329 (E_RNA) where: Base-Base interactions energy: -1808.894 where: short stacking energy: -770.403 Base-Backbone interact. energy: -3.057 local terms energy: -844.591265 where: bonds (distance) C4'-P energy: -155.872 bonds (distance) P-C4' energy: -173.165 flat angles C4'-P-C4' energy: -175.186 flat angles P-C4'-P energy: -117.453 tors. eta vs tors. theta energy: -222.915 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: 2, replica: 1 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -2520.200188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.200188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.200188 (E_RNA) where: Base-Base interactions energy: -1731.892 where: short stacking energy: -736.958 Base-Backbone interact. energy: -3.836 local terms energy: -784.472071 where: bonds (distance) C4'-P energy: -129.040 bonds (distance) P-C4' energy: -150.936 flat angles C4'-P-C4' energy: -175.385 flat angles P-C4'-P energy: -129.365 tors. eta vs tors. theta energy: -199.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -2406.604820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.604820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.604820 (E_RNA) where: Base-Base interactions energy: -1626.530 where: short stacking energy: -681.884 Base-Backbone interact. energy: -0.850 local terms energy: -779.224340 where: bonds (distance) C4'-P energy: -155.404 bonds (distance) P-C4' energy: -153.421 flat angles C4'-P-C4' energy: -152.863 flat angles P-C4'-P energy: -126.051 tors. eta vs tors. theta energy: -191.485 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: 2 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -2387.786188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.786188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.786188 (E_RNA) where: Base-Base interactions energy: -1615.015 where: short stacking energy: -702.462 Base-Backbone interact. energy: 0.054 local terms energy: -772.825162 where: bonds (distance) C4'-P energy: -135.510 bonds (distance) P-C4' energy: -142.479 flat angles C4'-P-C4' energy: -175.214 flat angles P-C4'-P energy: -118.029 tors. eta vs tors. theta energy: -201.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -2143.280229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.280229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.280229 (E_RNA) where: Base-Base interactions energy: -1435.941 where: short stacking energy: -646.084 Base-Backbone interact. energy: -1.680 local terms energy: -705.659379 where: bonds (distance) C4'-P energy: -134.037 bonds (distance) P-C4' energy: -127.567 flat angles C4'-P-C4' energy: -178.499 flat angles P-C4'-P energy: -101.664 tors. eta vs tors. theta energy: -163.893 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: 6 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -1796.283811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.283811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.283811 (E_RNA) where: Base-Base interactions energy: -1129.048 where: short stacking energy: -526.480 Base-Backbone interact. energy: -2.022 local terms energy: -665.213505 where: bonds (distance) C4'-P energy: -135.828 bonds (distance) P-C4' energy: -153.857 flat angles C4'-P-C4' energy: -155.192 flat angles P-C4'-P energy: -92.282 tors. eta vs tors. theta energy: -128.053 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: 10 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1479.449388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.449388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.449388 (E_RNA) where: Base-Base interactions energy: -874.116 where: short stacking energy: -415.961 Base-Backbone interact. energy: 6.641 local terms energy: -611.974186 where: bonds (distance) C4'-P energy: -132.226 bonds (distance) P-C4' energy: -156.690 flat angles C4'-P-C4' energy: -153.821 flat angles P-C4'-P energy: -91.176 tors. eta vs tors. theta energy: -78.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1185.958805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.958805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.958805 (E_RNA) where: Base-Base interactions energy: -681.190 where: short stacking energy: -354.956 Base-Backbone interact. energy: 6.310 local terms energy: -511.078222 where: bonds (distance) C4'-P energy: -104.699 bonds (distance) P-C4' energy: -154.843 flat angles C4'-P-C4' energy: -122.492 flat angles P-C4'-P energy: -85.705 tors. eta vs tors. theta energy: -43.340 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: 9 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -944.822476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.822476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.822476 (E_RNA) where: Base-Base interactions energy: -476.102 where: short stacking energy: -261.583 Base-Backbone interact. energy: 1.318 local terms energy: -470.038098 where: bonds (distance) C4'-P energy: -137.481 bonds (distance) P-C4' energy: -152.924 flat angles C4'-P-C4' energy: -93.772 flat angles P-C4'-P energy: -66.495 tors. eta vs tors. theta energy: -19.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -607.893404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.893404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.893404 (E_RNA) where: Base-Base interactions energy: -252.136 where: short stacking energy: -182.070 Base-Backbone interact. energy: 4.956 local terms energy: -360.713314 where: bonds (distance) C4'-P energy: -123.317 bonds (distance) P-C4' energy: -120.702 flat angles C4'-P-C4' energy: -105.977 flat angles P-C4'-P energy: -48.944 tors. eta vs tors. theta energy: 38.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -2663.916282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.916282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.916282 (E_RNA) where: Base-Base interactions energy: -1819.812 where: short stacking energy: -766.481 Base-Backbone interact. energy: -1.194 local terms energy: -842.910556 where: bonds (distance) C4'-P energy: -156.572 bonds (distance) P-C4' energy: -158.943 flat angles C4'-P-C4' energy: -181.684 flat angles P-C4'-P energy: -123.519 tors. eta vs tors. theta energy: -222.193 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: 2, replica: 1 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -2613.086868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.086868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.086868 (E_RNA) where: Base-Base interactions energy: -1786.532 where: short stacking energy: -759.801 Base-Backbone interact. energy: -2.517 local terms energy: -824.037744 where: bonds (distance) C4'-P energy: -150.260 bonds (distance) P-C4' energy: -171.604 flat angles C4'-P-C4' energy: -181.173 flat angles P-C4'-P energy: -118.107 tors. eta vs tors. theta energy: -202.894 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: 4 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -2402.384664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.384664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.384664 (E_RNA) where: Base-Base interactions energy: -1627.297 where: short stacking energy: -727.883 Base-Backbone interact. energy: -6.979 local terms energy: -768.108231 where: bonds (distance) C4'-P energy: -145.495 bonds (distance) P-C4' energy: -145.963 flat angles C4'-P-C4' energy: -176.522 flat angles P-C4'-P energy: -103.970 tors. eta vs tors. theta energy: -196.159 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: 4, replica: 2 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -2342.424884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.424884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.424884 (E_RNA) where: Base-Base interactions energy: -1596.939 where: short stacking energy: -636.761 Base-Backbone interact. energy: -8.354 local terms energy: -737.132498 where: bonds (distance) C4'-P energy: -140.272 bonds (distance) P-C4' energy: -153.308 flat angles C4'-P-C4' energy: -149.612 flat angles P-C4'-P energy: -105.213 tors. eta vs tors. theta energy: -188.727 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: 5, replica: 5 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -2214.899750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.899750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.899750 (E_RNA) where: Base-Base interactions energy: -1473.119 where: short stacking energy: -655.881 Base-Backbone interact. energy: -1.549 local terms energy: -740.232035 where: bonds (distance) C4'-P energy: -131.116 bonds (distance) P-C4' energy: -156.838 flat angles C4'-P-C4' energy: -157.833 flat angles P-C4'-P energy: -103.230 tors. eta vs tors. theta energy: -191.216 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: 6, replica: 6 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -1843.512447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.512447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.512447 (E_RNA) where: Base-Base interactions energy: -1193.135 where: short stacking energy: -521.117 Base-Backbone interact. energy: 0.754 local terms energy: -651.131628 where: bonds (distance) C4'-P energy: -157.318 bonds (distance) P-C4' energy: -125.376 flat angles C4'-P-C4' energy: -151.920 flat angles P-C4'-P energy: -88.056 tors. eta vs tors. theta energy: -128.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1572.561582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.561582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.561582 (E_RNA) where: Base-Base interactions energy: -970.482 where: short stacking energy: -408.165 Base-Backbone interact. energy: -1.642 local terms energy: -600.437946 where: bonds (distance) C4'-P energy: -142.620 bonds (distance) P-C4' energy: -153.688 flat angles C4'-P-C4' energy: -147.145 flat angles P-C4'-P energy: -79.827 tors. eta vs tors. theta energy: -77.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1267.984513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.984513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.984513 (E_RNA) where: Base-Base interactions energy: -697.212 where: short stacking energy: -362.529 Base-Backbone interact. energy: 2.150 local terms energy: -572.922274 where: bonds (distance) C4'-P energy: -152.879 bonds (distance) P-C4' energy: -153.360 flat angles C4'-P-C4' energy: -136.089 flat angles P-C4'-P energy: -69.568 tors. eta vs tors. theta energy: -61.026 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: 9, replica: 9 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -907.102725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.102725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.102725 (E_RNA) where: Base-Base interactions energy: -446.221 where: short stacking energy: -257.820 Base-Backbone interact. energy: -2.972 local terms energy: -457.910392 where: bonds (distance) C4'-P energy: -117.089 bonds (distance) P-C4' energy: -133.582 flat angles C4'-P-C4' energy: -138.579 flat angles P-C4'-P energy: -64.836 tors. eta vs tors. theta energy: -3.825 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: 7 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -683.194186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.194186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.194186 (E_RNA) where: Base-Base interactions energy: -269.003 where: short stacking energy: -176.790 Base-Backbone interact. energy: -0.808 local terms energy: -413.383895 where: bonds (distance) C4'-P energy: -137.434 bonds (distance) P-C4' energy: -132.506 flat angles C4'-P-C4' energy: -117.500 flat angles P-C4'-P energy: -63.545 tors. eta vs tors. theta energy: 37.602 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: 1, replica: 8 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -2675.187962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.187962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.187962 (E_RNA) where: Base-Base interactions energy: -1881.025 where: short stacking energy: -783.395 Base-Backbone interact. energy: -3.501 local terms energy: -790.661669 where: bonds (distance) C4'-P energy: -130.736 bonds (distance) P-C4' energy: -156.207 flat angles C4'-P-C4' energy: -187.745 flat angles P-C4'-P energy: -110.909 tors. eta vs tors. theta energy: -205.065 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: 1 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -2600.127178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.127178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.127178 (E_RNA) where: Base-Base interactions energy: -1776.091 where: short stacking energy: -781.101 Base-Backbone interact. energy: -5.888 local terms energy: -818.147348 where: bonds (distance) C4'-P energy: -154.823 bonds (distance) P-C4' energy: -158.678 flat angles C4'-P-C4' energy: -172.865 flat angles P-C4'-P energy: -111.410 tors. eta vs tors. theta energy: -220.371 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: 293 Temperature: 1.000000 Total energy: -2424.057777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.057777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.057777 (E_RNA) where: Base-Base interactions energy: -1621.143 where: short stacking energy: -741.443 Base-Backbone interact. energy: 0.319 local terms energy: -803.234486 where: bonds (distance) C4'-P energy: -148.503 bonds (distance) P-C4' energy: -155.713 flat angles C4'-P-C4' energy: -177.871 flat angles P-C4'-P energy: -113.501 tors. eta vs tors. theta energy: -207.646 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: 2 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -2340.079218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.079218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.079218 (E_RNA) where: Base-Base interactions energy: -1584.468 where: short stacking energy: -675.436 Base-Backbone interact. energy: -5.013 local terms energy: -750.598781 where: bonds (distance) C4'-P energy: -125.035 bonds (distance) P-C4' energy: -154.925 flat angles C4'-P-C4' energy: -175.778 flat angles P-C4'-P energy: -107.690 tors. eta vs tors. theta energy: -187.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -2173.386353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.386353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.386353 (E_RNA) where: Base-Base interactions energy: -1452.024 where: short stacking energy: -637.469 Base-Backbone interact. energy: -2.623 local terms energy: -718.739309 where: bonds (distance) C4'-P energy: -141.401 bonds (distance) P-C4' energy: -142.787 flat angles C4'-P-C4' energy: -151.909 flat angles P-C4'-P energy: -93.454 tors. eta vs tors. theta energy: -189.188 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: 6 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1942.260530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.260530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.260530 (E_RNA) where: Base-Base interactions energy: -1310.334 where: short stacking energy: -575.045 Base-Backbone interact. energy: -0.063 local terms energy: -631.862726 where: bonds (distance) C4'-P energy: -129.270 bonds (distance) P-C4' energy: -114.000 flat angles C4'-P-C4' energy: -158.711 flat angles P-C4'-P energy: -86.453 tors. eta vs tors. theta energy: -143.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1529.237641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.237641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.237641 (E_RNA) where: Base-Base interactions energy: -948.127 where: short stacking energy: -413.380 Base-Backbone interact. energy: 1.707 local terms energy: -582.818260 where: bonds (distance) C4'-P energy: -144.729 bonds (distance) P-C4' energy: -148.055 flat angles C4'-P-C4' energy: -143.155 flat angles P-C4'-P energy: -75.671 tors. eta vs tors. theta energy: -71.208 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: 8, replica: 3 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1193.266642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.266642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.266642 (E_RNA) where: Base-Base interactions energy: -703.029 where: short stacking energy: -336.246 Base-Backbone interact. energy: 1.673 local terms energy: -491.909897 where: bonds (distance) C4'-P energy: -132.009 bonds (distance) P-C4' energy: -144.437 flat angles C4'-P-C4' energy: -118.526 flat angles P-C4'-P energy: -66.513 tors. eta vs tors. theta energy: -30.425 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: 9 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -858.800426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.800426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.800426 (E_RNA) where: Base-Base interactions energy: -425.531 where: short stacking energy: -239.208 Base-Backbone interact. energy: 7.619 local terms energy: -440.887988 where: bonds (distance) C4'-P energy: -129.971 bonds (distance) P-C4' energy: -139.778 flat angles C4'-P-C4' energy: -110.416 flat angles P-C4'-P energy: -66.698 tors. eta vs tors. theta energy: 5.974 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: 10, replica: 7 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -763.208762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.208762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.208762 (E_RNA) where: Base-Base interactions energy: -352.371 where: short stacking energy: -217.367 Base-Backbone interact. energy: 7.317 local terms energy: -418.154974 where: bonds (distance) C4'-P energy: -132.905 bonds (distance) P-C4' energy: -144.040 flat angles C4'-P-C4' energy: -107.918 flat angles P-C4'-P energy: -45.273 tors. eta vs tors. theta energy: 11.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -2638.096979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.096979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.096979 (E_RNA) where: Base-Base interactions energy: -1831.878 where: short stacking energy: -770.201 Base-Backbone interact. energy: 0.009 local terms energy: -806.228319 where: bonds (distance) C4'-P energy: -154.390 bonds (distance) P-C4' energy: -142.569 flat angles C4'-P-C4' energy: -186.354 flat angles P-C4'-P energy: -117.436 tors. eta vs tors. theta energy: -205.478 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: 8 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2596.755269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.755269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.755269 (E_RNA) where: Base-Base interactions energy: -1769.214 where: short stacking energy: -731.907 Base-Backbone interact. energy: -2.313 local terms energy: -825.228190 where: bonds (distance) C4'-P energy: -143.409 bonds (distance) P-C4' energy: -159.967 flat angles C4'-P-C4' energy: -179.208 flat angles P-C4'-P energy: -129.278 tors. eta vs tors. theta energy: -213.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -2434.015840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.015840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.015840 (E_RNA) where: Base-Base interactions energy: -1659.089 where: short stacking energy: -710.387 Base-Backbone interact. energy: -4.876 local terms energy: -770.051058 where: bonds (distance) C4'-P energy: -142.790 bonds (distance) P-C4' energy: -152.357 flat angles C4'-P-C4' energy: -161.518 flat angles P-C4'-P energy: -98.977 tors. eta vs tors. theta energy: -214.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -2364.472231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.472231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.472231 (E_RNA) where: Base-Base interactions energy: -1605.779 where: short stacking energy: -710.920 Base-Backbone interact. energy: -1.942 local terms energy: -756.750891 where: bonds (distance) C4'-P energy: -126.092 bonds (distance) P-C4' energy: -152.397 flat angles C4'-P-C4' energy: -177.876 flat angles P-C4'-P energy: -103.106 tors. eta vs tors. theta energy: -197.279 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: 294 Temperature: 1.100000 Total energy: -2139.779530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.779530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.779530 (E_RNA) where: Base-Base interactions energy: -1432.986 where: short stacking energy: -632.626 Base-Backbone interact. energy: -0.722 local terms energy: -706.072062 where: bonds (distance) C4'-P energy: -125.627 bonds (distance) P-C4' energy: -141.437 flat angles C4'-P-C4' energy: -165.157 flat angles P-C4'-P energy: -104.598 tors. eta vs tors. theta energy: -169.254 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: 6, replica: 6 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -1900.362432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.362432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.362432 (E_RNA) where: Base-Base interactions energy: -1222.524 where: short stacking energy: -548.163 Base-Backbone interact. energy: -0.091 local terms energy: -677.748119 where: bonds (distance) C4'-P energy: -134.663 bonds (distance) P-C4' energy: -143.310 flat angles C4'-P-C4' energy: -161.631 flat angles P-C4'-P energy: -111.892 tors. eta vs tors. theta energy: -126.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1550.422820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.422820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.422820 (E_RNA) where: Base-Base interactions energy: -956.213 where: short stacking energy: -460.612 Base-Backbone interact. energy: 1.692 local terms energy: -595.900935 where: bonds (distance) C4'-P energy: -134.537 bonds (distance) P-C4' energy: -135.639 flat angles C4'-P-C4' energy: -135.372 flat angles P-C4'-P energy: -96.599 tors. eta vs tors. theta energy: -93.753 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: 8, replica: 3 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1112.501633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.501633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.501633 (E_RNA) where: Base-Base interactions energy: -639.213 where: short stacking energy: -299.873 Base-Backbone interact. energy: 2.667 local terms energy: -475.955465 where: bonds (distance) C4'-P energy: -141.615 bonds (distance) P-C4' energy: -136.180 flat angles C4'-P-C4' energy: -112.647 flat angles P-C4'-P energy: -72.063 tors. eta vs tors. theta energy: -13.451 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: 9 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -899.149465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.149465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.149465 (E_RNA) where: Base-Base interactions energy: -451.114 where: short stacking energy: -232.622 Base-Backbone interact. energy: 3.069 local terms energy: -451.104668 where: bonds (distance) C4'-P energy: -136.190 bonds (distance) P-C4' energy: -134.551 flat angles C4'-P-C4' energy: -120.122 flat angles P-C4'-P energy: -61.039 tors. eta vs tors. theta energy: 0.798 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: 10, replica: 7 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -769.823180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.823180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.823180 (E_RNA) where: Base-Base interactions energy: -340.029 where: short stacking energy: -207.676 Base-Backbone interact. energy: 0.646 local terms energy: -430.440127 where: bonds (distance) C4'-P energy: -131.054 bonds (distance) P-C4' energy: -130.262 flat angles C4'-P-C4' energy: -100.382 flat angles P-C4'-P energy: -88.672 tors. eta vs tors. theta energy: 19.931 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: 1 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -2690.724086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.724086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.724086 (E_RNA) where: Base-Base interactions energy: -1850.083 where: short stacking energy: -789.888 Base-Backbone interact. energy: -2.905 local terms energy: -837.735819 where: bonds (distance) C4'-P energy: -148.612 bonds (distance) P-C4' energy: -166.422 flat angles C4'-P-C4' energy: -196.611 flat angles P-C4'-P energy: -117.771 tors. eta vs tors. theta energy: -208.320 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: 8 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -2584.630164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.630164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.630164 (E_RNA) where: Base-Base interactions energy: -1772.688 where: short stacking energy: -756.209 Base-Backbone interact. energy: -0.047 local terms energy: -811.895761 where: bonds (distance) C4'-P energy: -151.573 bonds (distance) P-C4' energy: -161.251 flat angles C4'-P-C4' energy: -173.567 flat angles P-C4'-P energy: -117.110 tors. eta vs tors. theta energy: -208.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2449.009341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.009341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.009341 (E_RNA) where: Base-Base interactions energy: -1661.075 where: short stacking energy: -731.985 Base-Backbone interact. energy: -3.750 local terms energy: -784.184855 where: bonds (distance) C4'-P energy: -149.336 bonds (distance) P-C4' energy: -158.065 flat angles C4'-P-C4' energy: -178.786 flat angles P-C4'-P energy: -83.387 tors. eta vs tors. theta energy: -214.611 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: 4, replica: 4 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -2344.399499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.399499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.399499 (E_RNA) where: Base-Base interactions energy: -1607.297 where: short stacking energy: -676.356 Base-Backbone interact. energy: -0.514 local terms energy: -736.588464 where: bonds (distance) C4'-P energy: -133.849 bonds (distance) P-C4' energy: -151.351 flat angles C4'-P-C4' energy: -162.137 flat angles P-C4'-P energy: -106.092 tors. eta vs tors. theta energy: -183.160 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: 5, replica: 5 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -2162.851793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.851793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.851793 (E_RNA) where: Base-Base interactions energy: -1432.657 where: short stacking energy: -641.345 Base-Backbone interact. energy: -1.021 local terms energy: -729.174273 where: bonds (distance) C4'-P energy: -127.526 bonds (distance) P-C4' energy: -156.301 flat angles C4'-P-C4' energy: -141.498 flat angles P-C4'-P energy: -119.309 tors. eta vs tors. theta energy: -184.541 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: 6 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1846.693157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.693157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.693157 (E_RNA) where: Base-Base interactions energy: -1172.627 where: short stacking energy: -522.784 Base-Backbone interact. energy: -2.421 local terms energy: -671.644837 where: bonds (distance) C4'-P energy: -142.875 bonds (distance) P-C4' energy: -143.368 flat angles C4'-P-C4' energy: -153.238 flat angles P-C4'-P energy: -96.868 tors. eta vs tors. theta energy: -135.295 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: 7, replica: 10 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1437.279911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.279911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.279911 (E_RNA) where: Base-Base interactions energy: -878.068 where: short stacking energy: -439.831 Base-Backbone interact. energy: -2.382 local terms energy: -556.829098 where: bonds (distance) C4'-P energy: -118.430 bonds (distance) P-C4' energy: -125.112 flat angles C4'-P-C4' energy: -146.422 flat angles P-C4'-P energy: -81.380 tors. eta vs tors. theta energy: -85.485 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: 8, replica: 3 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1171.941426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.941426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.941426 (E_RNA) where: Base-Base interactions energy: -662.998 where: short stacking energy: -320.658 Base-Backbone interact. energy: -1.699 local terms energy: -507.244649 where: bonds (distance) C4'-P energy: -131.945 bonds (distance) P-C4' energy: -125.541 flat angles C4'-P-C4' energy: -117.561 flat angles P-C4'-P energy: -95.825 tors. eta vs tors. theta energy: -36.372 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: 9, replica: 9 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -866.912136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.912136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.912136 (E_RNA) where: Base-Base interactions energy: -416.304 where: short stacking energy: -257.433 Base-Backbone interact. energy: -3.045 local terms energy: -447.563382 where: bonds (distance) C4'-P energy: -129.415 bonds (distance) P-C4' energy: -129.810 flat angles C4'-P-C4' energy: -105.390 flat angles P-C4'-P energy: -61.684 tors. eta vs tors. theta energy: -21.265 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: 10, replica: 7 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -737.473463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.473463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.473463 (E_RNA) where: Base-Base interactions energy: -340.088 where: short stacking energy: -181.414 Base-Backbone interact. energy: 3.492 local terms energy: -400.877915 where: bonds (distance) C4'-P energy: -118.412 bonds (distance) P-C4' energy: -125.419 flat angles C4'-P-C4' energy: -94.806 flat angles P-C4'-P energy: -67.165 tors. eta vs tors. theta energy: 4.924 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: 1, replica: 1 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -2658.216582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.216582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.216582 (E_RNA) where: Base-Base interactions energy: -1828.348 where: short stacking energy: -745.052 Base-Backbone interact. energy: -3.704 local terms energy: -826.164341 where: bonds (distance) C4'-P energy: -160.566 bonds (distance) P-C4' energy: -166.164 flat angles C4'-P-C4' energy: -173.821 flat angles P-C4'-P energy: -118.302 tors. eta vs tors. theta energy: -207.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -2491.039397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.039397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.039397 (E_RNA) where: Base-Base interactions energy: -1687.320 where: short stacking energy: -715.432 Base-Backbone interact. energy: -4.321 local terms energy: -799.398148 where: bonds (distance) C4'-P energy: -158.860 bonds (distance) P-C4' energy: -150.876 flat angles C4'-P-C4' energy: -169.312 flat angles P-C4'-P energy: -115.351 tors. eta vs tors. theta energy: -205.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -2440.062257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.062257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.062257 (E_RNA) where: Base-Base interactions energy: -1669.204 where: short stacking energy: -698.574 Base-Backbone interact. energy: -2.699 local terms energy: -768.159375 where: bonds (distance) C4'-P energy: -142.641 bonds (distance) P-C4' energy: -140.115 flat angles C4'-P-C4' energy: -180.819 flat angles P-C4'-P energy: -115.405 tors. eta vs tors. theta energy: -189.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -2328.137806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.137806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.137806 (E_RNA) where: Base-Base interactions energy: -1562.942 where: short stacking energy: -675.045 Base-Backbone interact. energy: -6.857 local terms energy: -758.338342 where: bonds (distance) C4'-P energy: -132.418 bonds (distance) P-C4' energy: -134.095 flat angles C4'-P-C4' energy: -162.898 flat angles P-C4'-P energy: -119.634 tors. eta vs tors. theta energy: -209.293 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: 5, replica: 5 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -2185.187696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.187696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.187696 (E_RNA) where: Base-Base interactions energy: -1400.448 where: short stacking energy: -626.686 Base-Backbone interact. energy: 0.222 local terms energy: -784.961477 where: bonds (distance) C4'-P energy: -137.871 bonds (distance) P-C4' energy: -153.000 flat angles C4'-P-C4' energy: -179.337 flat angles P-C4'-P energy: -114.200 tors. eta vs tors. theta energy: -200.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -1896.072679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.072679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.072679 (E_RNA) where: Base-Base interactions energy: -1249.375 where: short stacking energy: -555.834 Base-Backbone interact. energy: -4.144 local terms energy: -642.553846 where: bonds (distance) C4'-P energy: -126.506 bonds (distance) P-C4' energy: -130.372 flat angles C4'-P-C4' energy: -160.666 flat angles P-C4'-P energy: -91.844 tors. eta vs tors. theta energy: -133.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1462.717978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.717978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.717978 (E_RNA) where: Base-Base interactions energy: -891.987 where: short stacking energy: -438.958 Base-Backbone interact. energy: -2.187 local terms energy: -568.544272 where: bonds (distance) C4'-P energy: -136.935 bonds (distance) P-C4' energy: -122.766 flat angles C4'-P-C4' energy: -139.630 flat angles P-C4'-P energy: -88.685 tors. eta vs tors. theta energy: -80.528 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: 8, replica: 3 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1187.529065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.529065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.529065 (E_RNA) where: Base-Base interactions energy: -670.429 where: short stacking energy: -340.094 Base-Backbone interact. energy: 3.615 local terms energy: -520.714500 where: bonds (distance) C4'-P energy: -137.776 bonds (distance) P-C4' energy: -127.840 flat angles C4'-P-C4' energy: -123.235 flat angles P-C4'-P energy: -73.077 tors. eta vs tors. theta energy: -58.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -839.041884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.041884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.041884 (E_RNA) where: Base-Base interactions energy: -344.335 where: short stacking energy: -227.348 Base-Backbone interact. energy: -1.418 local terms energy: -493.289283 where: bonds (distance) C4'-P energy: -149.000 bonds (distance) P-C4' energy: -140.341 flat angles C4'-P-C4' energy: -134.918 flat angles P-C4'-P energy: -61.019 tors. eta vs tors. theta energy: -8.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -751.619959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.619959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.619959 (E_RNA) where: Base-Base interactions energy: -318.029 where: short stacking energy: -186.012 Base-Backbone interact. energy: -1.655 local terms energy: -431.936354 where: bonds (distance) C4'-P energy: -135.225 bonds (distance) P-C4' energy: -158.077 flat angles C4'-P-C4' energy: -75.000 flat angles P-C4'-P energy: -73.618 tors. eta vs tors. theta energy: 9.983 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: 1, replica: 1 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -2714.359213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.359213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.359213 (E_RNA) where: Base-Base interactions energy: -1850.622 where: short stacking energy: -779.527 Base-Backbone interact. energy: -4.568 local terms energy: -859.169108 where: bonds (distance) C4'-P energy: -158.985 bonds (distance) P-C4' energy: -170.695 flat angles C4'-P-C4' energy: -190.465 flat angles P-C4'-P energy: -121.754 tors. eta vs tors. theta energy: -217.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -2580.418354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.418354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.418354 (E_RNA) where: Base-Base interactions energy: -1742.311 where: short stacking energy: -721.617 Base-Backbone interact. energy: -5.754 local terms energy: -832.353505 where: bonds (distance) C4'-P energy: -163.164 bonds (distance) P-C4' energy: -169.357 flat angles C4'-P-C4' energy: -181.225 flat angles P-C4'-P energy: -111.233 tors. eta vs tors. theta energy: -207.375 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: 2 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -2456.762900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.762900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.762900 (E_RNA) where: Base-Base interactions energy: -1673.096 where: short stacking energy: -713.504 Base-Backbone interact. energy: -3.371 local terms energy: -780.295866 where: bonds (distance) C4'-P energy: -133.859 bonds (distance) P-C4' energy: -157.786 flat angles C4'-P-C4' energy: -178.440 flat angles P-C4'-P energy: -111.300 tors. eta vs tors. theta energy: -198.910 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: 4, replica: 4 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -2330.562473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.562473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.562473 (E_RNA) where: Base-Base interactions energy: -1573.665 where: short stacking energy: -686.280 Base-Backbone interact. energy: -2.867 local terms energy: -754.030145 where: bonds (distance) C4'-P energy: -139.344 bonds (distance) P-C4' energy: -148.908 flat angles C4'-P-C4' energy: -165.618 flat angles P-C4'-P energy: -107.082 tors. eta vs tors. theta energy: -193.079 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: 5, replica: 5 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -2134.154122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.154122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.154122 (E_RNA) where: Base-Base interactions energy: -1401.814 where: short stacking energy: -641.734 Base-Backbone interact. energy: -2.374 local terms energy: -729.966233 where: bonds (distance) C4'-P energy: -150.830 bonds (distance) P-C4' energy: -150.200 flat angles C4'-P-C4' energy: -146.548 flat angles P-C4'-P energy: -92.508 tors. eta vs tors. theta energy: -189.880 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: 6 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -1882.395391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.395391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.395391 (E_RNA) where: Base-Base interactions energy: -1224.779 where: short stacking energy: -564.177 Base-Backbone interact. energy: -3.273 local terms energy: -654.343197 where: bonds (distance) C4'-P energy: -129.798 bonds (distance) P-C4' energy: -142.536 flat angles C4'-P-C4' energy: -142.778 flat angles P-C4'-P energy: -96.443 tors. eta vs tors. theta energy: -142.789 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: 10 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1455.899484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.899484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.899484 (E_RNA) where: Base-Base interactions energy: -876.452 where: short stacking energy: -403.219 Base-Backbone interact. energy: -6.090 local terms energy: -573.356696 where: bonds (distance) C4'-P energy: -140.063 bonds (distance) P-C4' energy: -147.154 flat angles C4'-P-C4' energy: -135.912 flat angles P-C4'-P energy: -78.203 tors. eta vs tors. theta energy: -72.026 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: 3 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1130.206651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.206651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.206651 (E_RNA) where: Base-Base interactions energy: -630.384 where: short stacking energy: -300.461 Base-Backbone interact. energy: -3.855 local terms energy: -495.967871 where: bonds (distance) C4'-P energy: -121.312 bonds (distance) P-C4' energy: -139.932 flat angles C4'-P-C4' energy: -114.064 flat angles P-C4'-P energy: -96.097 tors. eta vs tors. theta energy: -24.563 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: 9, replica: 9 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -844.235127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.235127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.235127 (E_RNA) where: Base-Base interactions energy: -393.393 where: short stacking energy: -249.295 Base-Backbone interact. energy: 0.919 local terms energy: -451.761053 where: bonds (distance) C4'-P energy: -132.089 bonds (distance) P-C4' energy: -130.282 flat angles C4'-P-C4' energy: -119.660 flat angles P-C4'-P energy: -74.273 tors. eta vs tors. theta energy: 4.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -751.976477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.976477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.976477 (E_RNA) where: Base-Base interactions energy: -347.079 where: short stacking energy: -185.892 Base-Backbone interact. energy: 8.497 local terms energy: -413.394696 where: bonds (distance) C4'-P energy: -141.100 bonds (distance) P-C4' energy: -122.030 flat angles C4'-P-C4' energy: -113.656 flat angles P-C4'-P energy: -69.725 tors. eta vs tors. theta energy: 33.116 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: 1 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -2656.179876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.179876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.179876 (E_RNA) where: Base-Base interactions energy: -1827.868 where: short stacking energy: -771.146 Base-Backbone interact. energy: 1.795 local terms energy: -830.106624 where: bonds (distance) C4'-P energy: -158.357 bonds (distance) P-C4' energy: -166.936 flat angles C4'-P-C4' energy: -178.203 flat angles P-C4'-P energy: -118.260 tors. eta vs tors. theta energy: -208.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -2546.922939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.922939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.922939 (E_RNA) where: Base-Base interactions energy: -1749.131 where: short stacking energy: -688.286 Base-Backbone interact. energy: -5.408 local terms energy: -792.383799 where: bonds (distance) C4'-P energy: -140.541 bonds (distance) P-C4' energy: -152.240 flat angles C4'-P-C4' energy: -171.002 flat angles P-C4'-P energy: -126.683 tors. eta vs tors. theta energy: -201.917 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: 3, replica: 2 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2386.182634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.182634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.182634 (E_RNA) where: Base-Base interactions energy: -1617.516 where: short stacking energy: -718.107 Base-Backbone interact. energy: -2.187 local terms energy: -766.479850 where: bonds (distance) C4'-P energy: -140.753 bonds (distance) P-C4' energy: -161.327 flat angles C4'-P-C4' energy: -167.502 flat angles P-C4'-P energy: -93.332 tors. eta vs tors. theta energy: -203.565 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: 4, replica: 4 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -2373.373782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.373782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.373782 (E_RNA) where: Base-Base interactions energy: -1624.690 where: short stacking energy: -716.800 Base-Backbone interact. energy: 0.007 local terms energy: -748.691038 where: bonds (distance) C4'-P energy: -141.629 bonds (distance) P-C4' energy: -126.114 flat angles C4'-P-C4' energy: -167.484 flat angles P-C4'-P energy: -107.692 tors. eta vs tors. theta energy: -205.772 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: 5, replica: 5 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -2170.656342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.656342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.656342 (E_RNA) where: Base-Base interactions energy: -1398.194 where: short stacking energy: -626.913 Base-Backbone interact. energy: -2.178 local terms energy: -770.283911 where: bonds (distance) C4'-P energy: -153.338 bonds (distance) P-C4' energy: -151.900 flat angles C4'-P-C4' energy: -169.635 flat angles P-C4'-P energy: -110.341 tors. eta vs tors. theta energy: -185.071 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: 6, replica: 6 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -1897.155814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.155814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.155814 (E_RNA) where: Base-Base interactions energy: -1205.585 where: short stacking energy: -534.407 Base-Backbone interact. energy: -2.199 local terms energy: -689.371383 where: bonds (distance) C4'-P energy: -151.893 bonds (distance) P-C4' energy: -140.313 flat angles C4'-P-C4' energy: -160.222 flat angles P-C4'-P energy: -107.608 tors. eta vs tors. theta energy: -129.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1425.995126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.995126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.995126 (E_RNA) where: Base-Base interactions energy: -861.376 where: short stacking energy: -392.072 Base-Backbone interact. energy: -3.459 local terms energy: -561.160220 where: bonds (distance) C4'-P energy: -143.336 bonds (distance) P-C4' energy: -123.568 flat angles C4'-P-C4' energy: -142.352 flat angles P-C4'-P energy: -80.437 tors. eta vs tors. theta energy: -71.466 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: 3 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1131.354164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.354164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.354164 (E_RNA) where: Base-Base interactions energy: -618.078 where: short stacking energy: -336.324 Base-Backbone interact. energy: -2.339 local terms energy: -510.937220 where: bonds (distance) C4'-P energy: -144.772 bonds (distance) P-C4' energy: -132.672 flat angles C4'-P-C4' energy: -125.961 flat angles P-C4'-P energy: -64.763 tors. eta vs tors. theta energy: -42.771 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: 9 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -874.776262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.776262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.776262 (E_RNA) where: Base-Base interactions energy: -425.663 where: short stacking energy: -244.287 Base-Backbone interact. energy: 1.458 local terms energy: -450.570715 where: bonds (distance) C4'-P energy: -128.237 bonds (distance) P-C4' energy: -131.648 flat angles C4'-P-C4' energy: -138.289 flat angles P-C4'-P energy: -49.420 tors. eta vs tors. theta energy: -2.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -749.173424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.173424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.173424 (E_RNA) where: Base-Base interactions energy: -337.362 where: short stacking energy: -221.646 Base-Backbone interact. energy: -0.064 local terms energy: -411.748029 where: bonds (distance) C4'-P energy: -130.291 bonds (distance) P-C4' energy: -141.709 flat angles C4'-P-C4' energy: -98.536 flat angles P-C4'-P energy: -44.417 tors. eta vs tors. theta energy: 3.204 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: 1, replica: 1 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -2676.761816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.761816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.761816 (E_RNA) where: Base-Base interactions energy: -1813.852 where: short stacking energy: -749.447 Base-Backbone interact. energy: -1.948 local terms energy: -860.962380 where: bonds (distance) C4'-P energy: -164.905 bonds (distance) P-C4' energy: -165.578 flat angles C4'-P-C4' energy: -190.156 flat angles P-C4'-P energy: -126.425 tors. eta vs tors. theta energy: -213.898 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: 299 Temperature: 0.950000 Total energy: -2555.063980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.063980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.063980 (E_RNA) where: Base-Base interactions energy: -1716.156 where: short stacking energy: -753.238 Base-Backbone interact. energy: -4.283 local terms energy: -834.625165 where: bonds (distance) C4'-P energy: -153.073 bonds (distance) P-C4' energy: -168.058 flat angles C4'-P-C4' energy: -175.919 flat angles P-C4'-P energy: -123.770 tors. eta vs tors. theta energy: -213.805 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: 2 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -2407.485045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.485045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.485045 (E_RNA) where: Base-Base interactions energy: -1642.714 where: short stacking energy: -714.662 Base-Backbone interact. energy: -1.599 local terms energy: -763.171488 where: bonds (distance) C4'-P energy: -148.366 bonds (distance) P-C4' energy: -140.942 flat angles C4'-P-C4' energy: -163.662 flat angles P-C4'-P energy: -111.928 tors. eta vs tors. theta energy: -198.273 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: 4, replica: 4 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -2369.663950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.663950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.663950 (E_RNA) where: Base-Base interactions energy: -1582.523 where: short stacking energy: -683.655 Base-Backbone interact. energy: -1.563 local terms energy: -785.578480 where: bonds (distance) C4'-P energy: -147.494 bonds (distance) P-C4' energy: -161.344 flat angles C4'-P-C4' energy: -160.635 flat angles P-C4'-P energy: -126.066 tors. eta vs tors. theta energy: -190.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -2166.850450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.850450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.850450 (E_RNA) where: Base-Base interactions energy: -1471.330 where: short stacking energy: -666.924 Base-Backbone interact. energy: 0.002 local terms energy: -695.522380 where: bonds (distance) C4'-P energy: -125.556 bonds (distance) P-C4' energy: -152.089 flat angles C4'-P-C4' energy: -158.158 flat angles P-C4'-P energy: -95.428 tors. eta vs tors. theta energy: -164.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -1923.588948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.588948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.588948 (E_RNA) where: Base-Base interactions energy: -1264.034 where: short stacking energy: -588.527 Base-Backbone interact. energy: -2.931 local terms energy: -656.624639 where: bonds (distance) C4'-P energy: -143.557 bonds (distance) P-C4' energy: -124.938 flat angles C4'-P-C4' energy: -164.410 flat angles P-C4'-P energy: -79.826 tors. eta vs tors. theta energy: -143.893 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: 10 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1416.798339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.798339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.798339 (E_RNA) where: Base-Base interactions energy: -853.052 where: short stacking energy: -443.371 Base-Backbone interact. energy: -4.236 local terms energy: -559.510310 where: bonds (distance) C4'-P energy: -139.484 bonds (distance) P-C4' energy: -134.602 flat angles C4'-P-C4' energy: -135.291 flat angles P-C4'-P energy: -66.639 tors. eta vs tors. theta energy: -83.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1161.733324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.733324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.733324 (E_RNA) where: Base-Base interactions energy: -637.497 where: short stacking energy: -372.220 Base-Backbone interact. energy: 2.590 local terms energy: -526.826131 where: bonds (distance) C4'-P energy: -108.432 bonds (distance) P-C4' energy: -142.481 flat angles C4'-P-C4' energy: -145.263 flat angles P-C4'-P energy: -73.662 tors. eta vs tors. theta energy: -56.988 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: 9 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -819.005492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.005492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.005492 (E_RNA) where: Base-Base interactions energy: -422.076 where: short stacking energy: -243.191 Base-Backbone interact. energy: 1.105 local terms energy: -398.035012 where: bonds (distance) C4'-P energy: -117.933 bonds (distance) P-C4' energy: -137.463 flat angles C4'-P-C4' energy: -103.609 flat angles P-C4'-P energy: -61.836 tors. eta vs tors. theta energy: 22.806 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: 7 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -705.032583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.032583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.032583 (E_RNA) where: Base-Base interactions energy: -334.150 where: short stacking energy: -195.654 Base-Backbone interact. energy: 1.747 local terms energy: -372.629134 where: bonds (distance) C4'-P energy: -130.148 bonds (distance) P-C4' energy: -133.246 flat angles C4'-P-C4' energy: -78.002 flat angles P-C4'-P energy: -66.597 tors. eta vs tors. theta energy: 35.364 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: 1, replica: 1 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -2658.390320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.390320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.390320 (E_RNA) where: Base-Base interactions energy: -1819.491 where: short stacking energy: -737.458 Base-Backbone interact. energy: -3.807 local terms energy: -835.092254 where: bonds (distance) C4'-P energy: -146.193 bonds (distance) P-C4' energy: -171.541 flat angles C4'-P-C4' energy: -179.394 flat angles P-C4'-P energy: -120.969 tors. eta vs tors. theta energy: -216.996 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: 8 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -2579.402680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.402680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.402680 (E_RNA) where: Base-Base interactions energy: -1772.717 where: short stacking energy: -737.006 Base-Backbone interact. energy: -4.169 local terms energy: -802.515993 where: bonds (distance) C4'-P energy: -151.447 bonds (distance) P-C4' energy: -131.934 flat angles C4'-P-C4' energy: -188.110 flat angles P-C4'-P energy: -114.647 tors. eta vs tors. theta energy: -216.377 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: 2 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -2388.001268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.001268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.001268 (E_RNA) where: Base-Base interactions energy: -1617.738 where: short stacking energy: -686.785 Base-Backbone interact. energy: 1.008 local terms energy: -771.270290 where: bonds (distance) C4'-P energy: -143.583 bonds (distance) P-C4' energy: -142.675 flat angles C4'-P-C4' energy: -180.783 flat angles P-C4'-P energy: -112.279 tors. eta vs tors. theta energy: -191.951 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: 4, replica: 4 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -2355.980472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.980472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.980472 (E_RNA) where: Base-Base interactions energy: -1612.207 where: short stacking energy: -660.298 Base-Backbone interact. energy: -2.943 local terms energy: -740.830385 where: bonds (distance) C4'-P energy: -146.072 bonds (distance) P-C4' energy: -153.067 flat angles C4'-P-C4' energy: -161.076 flat angles P-C4'-P energy: -103.524 tors. eta vs tors. theta energy: -177.092 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: 5, replica: 5 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -2213.659035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.659035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.659035 (E_RNA) where: Base-Base interactions energy: -1498.033 where: short stacking energy: -655.334 Base-Backbone interact. energy: -1.881 local terms energy: -713.744792 where: bonds (distance) C4'-P energy: -120.881 bonds (distance) P-C4' energy: -137.598 flat angles C4'-P-C4' energy: -156.209 flat angles P-C4'-P energy: -111.050 tors. eta vs tors. theta energy: -188.007 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: 6 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -1935.334310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.334310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.334310 (E_RNA) where: Base-Base interactions energy: -1249.628 where: short stacking energy: -599.157 Base-Backbone interact. energy: -3.064 local terms energy: -682.641840 where: bonds (distance) C4'-P energy: -129.829 bonds (distance) P-C4' energy: -146.205 flat angles C4'-P-C4' energy: -167.327 flat angles P-C4'-P energy: -82.483 tors. eta vs tors. theta energy: -156.798 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: 10 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1454.100737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.100737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.100737 (E_RNA) where: Base-Base interactions energy: -872.489 where: short stacking energy: -416.998 Base-Backbone interact. energy: 2.098 local terms energy: -583.709943 where: bonds (distance) C4'-P energy: -136.650 bonds (distance) P-C4' energy: -146.429 flat angles C4'-P-C4' energy: -148.705 flat angles P-C4'-P energy: -89.767 tors. eta vs tors. theta energy: -62.159 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: 3 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1205.901096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.901096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.901096 (E_RNA) where: Base-Base interactions energy: -657.487 where: short stacking energy: -365.586 Base-Backbone interact. energy: 6.990 local terms energy: -555.404219 where: bonds (distance) C4'-P energy: -130.680 bonds (distance) P-C4' energy: -154.850 flat angles C4'-P-C4' energy: -131.124 flat angles P-C4'-P energy: -82.212 tors. eta vs tors. theta energy: -56.539 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: 9 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -854.391870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.391870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.391870 (E_RNA) where: Base-Base interactions energy: -413.099 where: short stacking energy: -239.491 Base-Backbone interact. energy: -4.276 local terms energy: -437.016151 where: bonds (distance) C4'-P energy: -107.275 bonds (distance) P-C4' energy: -155.909 flat angles C4'-P-C4' energy: -102.154 flat angles P-C4'-P energy: -63.557 tors. eta vs tors. theta energy: -8.122 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: 7 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -771.348643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.348643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.348643 (E_RNA) where: Base-Base interactions energy: -349.206 where: short stacking energy: -220.885 Base-Backbone interact. energy: 2.058 local terms energy: -424.200813 where: bonds (distance) C4'-P energy: -130.804 bonds (distance) P-C4' energy: -117.644 flat angles C4'-P-C4' energy: -114.671 flat angles P-C4'-P energy: -70.516 tors. eta vs tors. theta energy: 9.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -2677.735350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.735350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.735350 (E_RNA) where: Base-Base interactions energy: -1839.757 where: short stacking energy: -762.975 Base-Backbone interact. energy: -4.106 local terms energy: -833.872582 where: bonds (distance) C4'-P energy: -156.224 bonds (distance) P-C4' energy: -171.211 flat angles C4'-P-C4' energy: -176.319 flat angles P-C4'-P energy: -118.951 tors. eta vs tors. theta energy: -211.166 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: 8 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2590.090418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.090418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.090418 (E_RNA) where: Base-Base interactions energy: -1765.975 where: short stacking energy: -742.748 Base-Backbone interact. energy: -4.975 local terms energy: -819.140282 where: bonds (distance) C4'-P energy: -162.172 bonds (distance) P-C4' energy: -169.247 flat angles C4'-P-C4' energy: -170.845 flat angles P-C4'-P energy: -104.433 tors. eta vs tors. theta energy: -212.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -2462.439354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.439354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.439354 (E_RNA) where: Base-Base interactions energy: -1672.760 where: short stacking energy: -717.935 Base-Backbone interact. energy: 7.087 local terms energy: -796.766548 where: bonds (distance) C4'-P energy: -156.834 bonds (distance) P-C4' energy: -153.303 flat angles C4'-P-C4' energy: -173.426 flat angles P-C4'-P energy: -111.655 tors. eta vs tors. theta energy: -201.548 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: 4 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -2365.757967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.757967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.757967 (E_RNA) where: Base-Base interactions energy: -1602.497 where: short stacking energy: -690.124 Base-Backbone interact. energy: -5.554 local terms energy: -757.706543 where: bonds (distance) C4'-P energy: -141.371 bonds (distance) P-C4' energy: -150.376 flat angles C4'-P-C4' energy: -163.310 flat angles P-C4'-P energy: -107.409 tors. eta vs tors. theta energy: -195.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -2183.087085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.087085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.087085 (E_RNA) where: Base-Base interactions energy: -1466.521 where: short stacking energy: -676.657 Base-Backbone interact. energy: 0.616 local terms energy: -717.182083 where: bonds (distance) C4'-P energy: -123.280 bonds (distance) P-C4' energy: -134.385 flat angles C4'-P-C4' energy: -162.826 flat angles P-C4'-P energy: -113.176 tors. eta vs tors. theta energy: -183.515 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: 6 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -1947.379835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.379835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.379835 (E_RNA) where: Base-Base interactions energy: -1249.841 where: short stacking energy: -567.486 Base-Backbone interact. energy: 1.402 local terms energy: -698.940056 where: bonds (distance) C4'-P energy: -152.688 bonds (distance) P-C4' energy: -146.042 flat angles C4'-P-C4' energy: -152.903 flat angles P-C4'-P energy: -102.820 tors. eta vs tors. theta energy: -144.487 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: 7, replica: 10 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1480.133308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.133308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.133308 (E_RNA) where: Base-Base interactions energy: -911.346 where: short stacking energy: -414.622 Base-Backbone interact. energy: -2.834 local terms energy: -565.953654 where: bonds (distance) C4'-P energy: -127.603 bonds (distance) P-C4' energy: -139.539 flat angles C4'-P-C4' energy: -139.123 flat angles P-C4'-P energy: -89.108 tors. eta vs tors. theta energy: -70.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1264.604175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.604175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.604175 (E_RNA) where: Base-Base interactions energy: -731.869 where: short stacking energy: -355.544 Base-Backbone interact. energy: -1.609 local terms energy: -531.126237 where: bonds (distance) C4'-P energy: -120.211 bonds (distance) P-C4' energy: -137.410 flat angles C4'-P-C4' energy: -145.822 flat angles P-C4'-P energy: -92.719 tors. eta vs tors. theta energy: -34.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -811.878318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.878318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.878318 (E_RNA) where: Base-Base interactions energy: -355.088 where: short stacking energy: -208.353 Base-Backbone interact. energy: -2.063 local terms energy: -454.727566 where: bonds (distance) C4'-P energy: -143.138 bonds (distance) P-C4' energy: -148.448 flat angles C4'-P-C4' energy: -117.974 flat angles P-C4'-P energy: -60.833 tors. eta vs tors. theta energy: 15.665 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: 7 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -734.164766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.164766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.164766 (E_RNA) where: Base-Base interactions energy: -334.151 where: short stacking energy: -190.365 Base-Backbone interact. energy: 3.126 local terms energy: -403.140140 where: bonds (distance) C4'-P energy: -118.989 bonds (distance) P-C4' energy: -120.226 flat angles C4'-P-C4' energy: -125.312 flat angles P-C4'-P energy: -89.690 tors. eta vs tors. theta energy: 51.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -2657.316226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.316226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.316226 (E_RNA) where: Base-Base interactions energy: -1799.912 where: short stacking energy: -770.930 Base-Backbone interact. energy: -4.039 local terms energy: -853.365155 where: bonds (distance) C4'-P energy: -164.597 bonds (distance) P-C4' energy: -164.886 flat angles C4'-P-C4' energy: -186.855 flat angles P-C4'-P energy: -121.493 tors. eta vs tors. theta energy: -215.534 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: 2, replica: 8 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2590.446193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.446193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.446193 (E_RNA) where: Base-Base interactions energy: -1757.869 where: short stacking energy: -734.130 Base-Backbone interact. energy: -5.890 local terms energy: -826.687291 where: bonds (distance) C4'-P energy: -171.313 bonds (distance) P-C4' energy: -156.376 flat angles C4'-P-C4' energy: -177.422 flat angles P-C4'-P energy: -116.406 tors. eta vs tors. theta energy: -205.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -2458.174886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.174886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.174886 (E_RNA) where: Base-Base interactions energy: -1657.040 where: short stacking energy: -719.131 Base-Backbone interact. energy: -1.546 local terms energy: -799.589019 where: bonds (distance) C4'-P energy: -158.152 bonds (distance) P-C4' energy: -144.240 flat angles C4'-P-C4' energy: -177.675 flat angles P-C4'-P energy: -108.730 tors. eta vs tors. theta energy: -210.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -2369.484323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.484323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.484323 (E_RNA) where: Base-Base interactions energy: -1582.997 where: short stacking energy: -682.185 Base-Backbone interact. energy: 1.126 local terms energy: -787.612477 where: bonds (distance) C4'-P energy: -149.738 bonds (distance) P-C4' energy: -157.140 flat angles C4'-P-C4' energy: -184.668 flat angles P-C4'-P energy: -108.736 tors. eta vs tors. theta energy: -187.331 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: 5 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -2202.664740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.664740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.664740 (E_RNA) where: Base-Base interactions energy: -1464.374 where: short stacking energy: -648.153 Base-Backbone interact. energy: -4.770 local terms energy: -733.521199 where: bonds (distance) C4'-P energy: -128.677 bonds (distance) P-C4' energy: -162.381 flat angles C4'-P-C4' energy: -158.172 flat angles P-C4'-P energy: -93.938 tors. eta vs tors. theta energy: -190.354 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: 6, replica: 6 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -1956.585743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.585743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.585743 (E_RNA) where: Base-Base interactions energy: -1254.293 where: short stacking energy: -559.414 Base-Backbone interact. energy: -1.864 local terms energy: -700.428745 where: bonds (distance) C4'-P energy: -140.483 bonds (distance) P-C4' energy: -154.276 flat angles C4'-P-C4' energy: -161.389 flat angles P-C4'-P energy: -95.732 tors. eta vs tors. theta energy: -148.549 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: 7, replica: 10 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1472.359878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.359878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.359878 (E_RNA) where: Base-Base interactions energy: -879.201 where: short stacking energy: -409.185 Base-Backbone interact. energy: -0.263 local terms energy: -592.896501 where: bonds (distance) C4'-P energy: -122.080 bonds (distance) P-C4' energy: -159.253 flat angles C4'-P-C4' energy: -133.690 flat angles P-C4'-P energy: -95.881 tors. eta vs tors. theta energy: -81.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1280.140211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.140211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.140211 (E_RNA) where: Base-Base interactions energy: -737.317 where: short stacking energy: -357.980 Base-Backbone interact. energy: 3.723 local terms energy: -546.545931 where: bonds (distance) C4'-P energy: -133.639 bonds (distance) P-C4' energy: -137.046 flat angles C4'-P-C4' energy: -137.961 flat angles P-C4'-P energy: -86.129 tors. eta vs tors. theta energy: -51.771 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: 9 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -811.907375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.907375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.907375 (E_RNA) where: Base-Base interactions energy: -364.751 where: short stacking energy: -222.723 Base-Backbone interact. energy: -0.497 local terms energy: -446.659744 where: bonds (distance) C4'-P energy: -126.787 bonds (distance) P-C4' energy: -141.508 flat angles C4'-P-C4' energy: -118.353 flat angles P-C4'-P energy: -72.980 tors. eta vs tors. theta energy: 12.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -659.620562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.620562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.620562 (E_RNA) where: Base-Base interactions energy: -276.179 where: short stacking energy: -189.877 Base-Backbone interact. energy: 1.366 local terms energy: -384.807730 where: bonds (distance) C4'-P energy: -126.794 bonds (distance) P-C4' energy: -126.512 flat angles C4'-P-C4' energy: -107.844 flat angles P-C4'-P energy: -62.921 tors. eta vs tors. theta energy: 39.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -2620.196795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.196795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.196795 (E_RNA) where: Base-Base interactions energy: -1786.690 where: short stacking energy: -750.092 Base-Backbone interact. energy: -0.808 local terms energy: -832.698625 where: bonds (distance) C4'-P energy: -162.653 bonds (distance) P-C4' energy: -169.080 flat angles C4'-P-C4' energy: -174.317 flat angles P-C4'-P energy: -119.117 tors. eta vs tors. theta energy: -207.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -2610.233398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.233398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.233398 (E_RNA) where: Base-Base interactions energy: -1787.773 where: short stacking energy: -709.829 Base-Backbone interact. energy: -6.260 local terms energy: -816.200261 where: bonds (distance) C4'-P energy: -166.658 bonds (distance) P-C4' energy: -160.275 flat angles C4'-P-C4' energy: -174.809 flat angles P-C4'-P energy: -105.391 tors. eta vs tors. theta energy: -209.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -2450.169119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.169119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.169119 (E_RNA) where: Base-Base interactions energy: -1668.478 where: short stacking energy: -720.990 Base-Backbone interact. energy: -0.380 local terms energy: -781.310696 where: bonds (distance) C4'-P energy: -125.323 bonds (distance) P-C4' energy: -156.224 flat angles C4'-P-C4' energy: -176.053 flat angles P-C4'-P energy: -117.085 tors. eta vs tors. theta energy: -206.625 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: 5 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -2257.084037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.084037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.084037 (E_RNA) where: Base-Base interactions energy: -1506.837 where: short stacking energy: -680.857 Base-Backbone interact. energy: -4.688 local terms energy: -745.559642 where: bonds (distance) C4'-P energy: -146.546 bonds (distance) P-C4' energy: -136.834 flat angles C4'-P-C4' energy: -164.379 flat angles P-C4'-P energy: -107.342 tors. eta vs tors. theta energy: -190.459 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: 5, replica: 4 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -2256.980779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.980779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.980779 (E_RNA) where: Base-Base interactions energy: -1534.408 where: short stacking energy: -631.552 Base-Backbone interact. energy: -7.790 local terms energy: -714.782239 where: bonds (distance) C4'-P energy: -145.613 bonds (distance) P-C4' energy: -150.312 flat angles C4'-P-C4' energy: -145.435 flat angles P-C4'-P energy: -98.591 tors. eta vs tors. theta energy: -174.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1950.586268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.586268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.586268 (E_RNA) where: Base-Base interactions energy: -1305.021 where: short stacking energy: -589.358 Base-Backbone interact. energy: 5.324 local terms energy: -650.888563 where: bonds (distance) C4'-P energy: -129.992 bonds (distance) P-C4' energy: -124.959 flat angles C4'-P-C4' energy: -140.090 flat angles P-C4'-P energy: -99.567 tors. eta vs tors. theta energy: -156.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1497.280275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.280275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.280275 (E_RNA) where: Base-Base interactions energy: -895.319 where: short stacking energy: -433.152 Base-Backbone interact. energy: 0.172 local terms energy: -602.132883 where: bonds (distance) C4'-P energy: -138.690 bonds (distance) P-C4' energy: -150.018 flat angles C4'-P-C4' energy: -132.247 flat angles P-C4'-P energy: -92.839 tors. eta vs tors. theta energy: -88.339 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: 3 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1234.977512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.977512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.977512 (E_RNA) where: Base-Base interactions energy: -701.753 where: short stacking energy: -346.688 Base-Backbone interact. energy: 0.739 local terms energy: -533.963445 where: bonds (distance) C4'-P energy: -135.118 bonds (distance) P-C4' energy: -144.896 flat angles C4'-P-C4' energy: -127.200 flat angles P-C4'-P energy: -78.234 tors. eta vs tors. theta energy: -48.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -837.432584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.432584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.432584 (E_RNA) where: Base-Base interactions energy: -408.071 where: short stacking energy: -231.103 Base-Backbone interact. energy: -4.019 local terms energy: -425.342513 where: bonds (distance) C4'-P energy: -119.215 bonds (distance) P-C4' energy: -128.355 flat angles C4'-P-C4' energy: -125.583 flat angles P-C4'-P energy: -62.322 tors. eta vs tors. theta energy: 10.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -654.659245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.659245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.659245 (E_RNA) where: Base-Base interactions energy: -278.054 where: short stacking energy: -193.049 Base-Backbone interact. energy: -1.451 local terms energy: -375.154353 where: bonds (distance) C4'-P energy: -115.443 bonds (distance) P-C4' energy: -122.862 flat angles C4'-P-C4' energy: -89.867 flat angles P-C4'-P energy: -68.595 tors. eta vs tors. theta energy: 21.612 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: 8 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -2686.634008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.634008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.634008 (E_RNA) where: Base-Base interactions energy: -1860.167 where: short stacking energy: -773.718 Base-Backbone interact. energy: -5.182 local terms energy: -821.284862 where: bonds (distance) C4'-P energy: -157.073 bonds (distance) P-C4' energy: -155.215 flat angles C4'-P-C4' energy: -190.253 flat angles P-C4'-P energy: -100.666 tors. eta vs tors. theta energy: -218.079 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: 2, replica: 1 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -2586.340460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.340460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.340460 (E_RNA) where: Base-Base interactions energy: -1775.538 where: short stacking energy: -748.295 Base-Backbone interact. energy: -1.836 local terms energy: -808.967221 where: bonds (distance) C4'-P energy: -156.769 bonds (distance) P-C4' energy: -142.568 flat angles C4'-P-C4' energy: -167.485 flat angles P-C4'-P energy: -122.139 tors. eta vs tors. theta energy: -220.007 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: 2 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2457.132388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.132388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.132388 (E_RNA) where: Base-Base interactions energy: -1641.384 where: short stacking energy: -752.272 Base-Backbone interact. energy: -1.384 local terms energy: -814.364739 where: bonds (distance) C4'-P energy: -152.263 bonds (distance) P-C4' energy: -148.052 flat angles C4'-P-C4' energy: -178.012 flat angles P-C4'-P energy: -130.166 tors. eta vs tors. theta energy: -205.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -2310.447375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.447375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.447375 (E_RNA) where: Base-Base interactions energy: -1537.487 where: short stacking energy: -692.800 Base-Backbone interact. energy: -2.331 local terms energy: -770.629423 where: bonds (distance) C4'-P energy: -142.558 bonds (distance) P-C4' energy: -147.650 flat angles C4'-P-C4' energy: -167.520 flat angles P-C4'-P energy: -121.501 tors. eta vs tors. theta energy: -191.401 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: 4 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -2277.217580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.217580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.217580 (E_RNA) where: Base-Base interactions energy: -1513.218 where: short stacking energy: -631.179 Base-Backbone interact. energy: -3.987 local terms energy: -760.012342 where: bonds (distance) C4'-P energy: -157.240 bonds (distance) P-C4' energy: -153.890 flat angles C4'-P-C4' energy: -170.969 flat angles P-C4'-P energy: -94.830 tors. eta vs tors. theta energy: -183.084 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: 6, replica: 6 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -2034.426157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.426157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.426157 (E_RNA) where: Base-Base interactions energy: -1320.606 where: short stacking energy: -606.641 Base-Backbone interact. energy: -2.924 local terms energy: -710.895961 where: bonds (distance) C4'-P energy: -163.856 bonds (distance) P-C4' energy: -137.035 flat angles C4'-P-C4' energy: -153.258 flat angles P-C4'-P energy: -87.853 tors. eta vs tors. theta energy: -168.893 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: 10 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1464.807645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.807645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.807645 (E_RNA) where: Base-Base interactions energy: -882.959 where: short stacking energy: -430.505 Base-Backbone interact. energy: -0.919 local terms energy: -580.929037 where: bonds (distance) C4'-P energy: -139.361 bonds (distance) P-C4' energy: -151.994 flat angles C4'-P-C4' energy: -137.353 flat angles P-C4'-P energy: -81.420 tors. eta vs tors. theta energy: -70.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1263.067108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.067108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.067108 (E_RNA) where: Base-Base interactions energy: -735.936 where: short stacking energy: -333.950 Base-Backbone interact. energy: -2.801 local terms energy: -524.331002 where: bonds (distance) C4'-P energy: -118.997 bonds (distance) P-C4' energy: -132.211 flat angles C4'-P-C4' energy: -124.639 flat angles P-C4'-P energy: -91.554 tors. eta vs tors. theta energy: -56.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -798.271718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.271718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.271718 (E_RNA) where: Base-Base interactions energy: -368.168 where: short stacking energy: -188.653 Base-Backbone interact. energy: 9.754 local terms energy: -439.857745 where: bonds (distance) C4'-P energy: -137.909 bonds (distance) P-C4' energy: -151.129 flat angles C4'-P-C4' energy: -108.212 flat angles P-C4'-P energy: -68.222 tors. eta vs tors. theta energy: 25.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -687.307984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.307984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.307984 (E_RNA) where: Base-Base interactions energy: -283.410 where: short stacking energy: -182.067 Base-Backbone interact. energy: 4.562 local terms energy: -408.459774 where: bonds (distance) C4'-P energy: -104.416 bonds (distance) P-C4' energy: -133.022 flat angles C4'-P-C4' energy: -107.530 flat angles P-C4'-P energy: -76.476 tors. eta vs tors. theta energy: 12.985 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: 1, replica: 8 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -2729.584276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.584276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.584276 (E_RNA) where: Base-Base interactions energy: -1879.569 where: short stacking energy: -789.851 Base-Backbone interact. energy: -2.624 local terms energy: -847.391790 where: bonds (distance) C4'-P energy: -164.692 bonds (distance) P-C4' energy: -169.035 flat angles C4'-P-C4' energy: -178.885 flat angles P-C4'-P energy: -109.293 tors. eta vs tors. theta energy: -225.487 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: 2, replica: 1 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2580.859067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.859067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.859067 (E_RNA) where: Base-Base interactions energy: -1773.034 where: short stacking energy: -733.268 Base-Backbone interact. energy: -1.510 local terms energy: -806.315542 where: bonds (distance) C4'-P energy: -150.168 bonds (distance) P-C4' energy: -158.290 flat angles C4'-P-C4' energy: -180.886 flat angles P-C4'-P energy: -113.118 tors. eta vs tors. theta energy: -203.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2480.744257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.744257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.744257 (E_RNA) where: Base-Base interactions energy: -1709.069 where: short stacking energy: -760.840 Base-Backbone interact. energy: 0.896 local terms energy: -772.571383 where: bonds (distance) C4'-P energy: -130.810 bonds (distance) P-C4' energy: -149.384 flat angles C4'-P-C4' energy: -178.196 flat angles P-C4'-P energy: -109.182 tors. eta vs tors. theta energy: -205.000 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: 4 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -2276.177405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.177405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.177405 (E_RNA) where: Base-Base interactions energy: -1529.231 where: short stacking energy: -656.448 Base-Backbone interact. energy: -3.551 local terms energy: -743.396289 where: bonds (distance) C4'-P energy: -135.575 bonds (distance) P-C4' energy: -148.964 flat angles C4'-P-C4' energy: -171.796 flat angles P-C4'-P energy: -100.502 tors. eta vs tors. theta energy: -186.559 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: 305 Temperature: 1.100000 Total energy: -2192.010652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.010652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.010652 (E_RNA) where: Base-Base interactions energy: -1447.827 where: short stacking energy: -637.343 Base-Backbone interact. energy: -2.988 local terms energy: -741.196052 where: bonds (distance) C4'-P energy: -126.437 bonds (distance) P-C4' energy: -145.571 flat angles C4'-P-C4' energy: -164.665 flat angles P-C4'-P energy: -111.426 tors. eta vs tors. theta energy: -193.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -2009.756050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.756050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.756050 (E_RNA) where: Base-Base interactions energy: -1345.649 where: short stacking energy: -597.894 Base-Backbone interact. energy: -2.684 local terms energy: -661.422847 where: bonds (distance) C4'-P energy: -132.296 bonds (distance) P-C4' energy: -150.544 flat angles C4'-P-C4' energy: -160.558 flat angles P-C4'-P energy: -75.611 tors. eta vs tors. theta energy: -142.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1435.577896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.577896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.577896 (E_RNA) where: Base-Base interactions energy: -889.899 where: short stacking energy: -412.890 Base-Backbone interact. energy: -1.841 local terms energy: -543.838162 where: bonds (distance) C4'-P energy: -123.376 bonds (distance) P-C4' energy: -160.229 flat angles C4'-P-C4' energy: -120.065 flat angles P-C4'-P energy: -69.282 tors. eta vs tors. theta energy: -70.887 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: 8, replica: 3 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1268.398892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.398892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.398892 (E_RNA) where: Base-Base interactions energy: -751.524 where: short stacking energy: -356.466 Base-Backbone interact. energy: -0.876 local terms energy: -515.998337 where: bonds (distance) C4'-P energy: -106.940 bonds (distance) P-C4' energy: -153.031 flat angles C4'-P-C4' energy: -139.385 flat angles P-C4'-P energy: -85.285 tors. eta vs tors. theta energy: -31.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -743.564456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.564456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.564456 (E_RNA) where: Base-Base interactions energy: -282.763 where: short stacking energy: -190.317 Base-Backbone interact. energy: 6.748 local terms energy: -467.548545 where: bonds (distance) C4'-P energy: -125.557 bonds (distance) P-C4' energy: -148.741 flat angles C4'-P-C4' energy: -124.260 flat angles P-C4'-P energy: -79.926 tors. eta vs tors. theta energy: 10.936 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: 7 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -685.965757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.965757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.965757 (E_RNA) where: Base-Base interactions energy: -271.593 where: short stacking energy: -198.050 Base-Backbone interact. energy: -1.633 local terms energy: -412.739696 where: bonds (distance) C4'-P energy: -134.964 bonds (distance) P-C4' energy: -120.982 flat angles C4'-P-C4' energy: -101.552 flat angles P-C4'-P energy: -77.686 tors. eta vs tors. theta energy: 22.444 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: 1, replica: 8 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -2668.645608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.645608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.645608 (E_RNA) where: Base-Base interactions energy: -1815.760 where: short stacking energy: -746.888 Base-Backbone interact. energy: -4.990 local terms energy: -847.896306 where: bonds (distance) C4'-P energy: -175.154 bonds (distance) P-C4' energy: -153.800 flat angles C4'-P-C4' energy: -184.454 flat angles P-C4'-P energy: -125.153 tors. eta vs tors. theta energy: -209.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2626.235533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.235533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.235533 (E_RNA) where: Base-Base interactions energy: -1812.298 where: short stacking energy: -755.269 Base-Backbone interact. energy: -5.614 local terms energy: -808.323189 where: bonds (distance) C4'-P energy: -156.797 bonds (distance) P-C4' energy: -146.337 flat angles C4'-P-C4' energy: -178.538 flat angles P-C4'-P energy: -106.406 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: 3, replica: 2 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -2453.716023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.716023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.716023 (E_RNA) where: Base-Base interactions energy: -1654.816 where: short stacking energy: -708.921 Base-Backbone interact. energy: -3.428 local terms energy: -795.471708 where: bonds (distance) C4'-P energy: -134.678 bonds (distance) P-C4' energy: -155.600 flat angles C4'-P-C4' energy: -185.549 flat angles P-C4'-P energy: -113.714 tors. eta vs tors. theta energy: -205.931 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: 4 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -2327.929627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.929627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.929627 (E_RNA) where: Base-Base interactions energy: -1541.984 where: short stacking energy: -676.231 Base-Backbone interact. energy: -7.008 local terms energy: -778.936857 where: bonds (distance) C4'-P energy: -146.842 bonds (distance) P-C4' energy: -152.811 flat angles C4'-P-C4' energy: -182.540 flat angles P-C4'-P energy: -106.684 tors. eta vs tors. theta energy: -190.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -2176.703734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.703734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.703734 (E_RNA) where: Base-Base interactions energy: -1451.494 where: short stacking energy: -660.683 Base-Backbone interact. energy: -3.237 local terms energy: -721.972647 where: bonds (distance) C4'-P energy: -142.217 bonds (distance) P-C4' energy: -141.844 flat angles C4'-P-C4' energy: -147.400 flat angles P-C4'-P energy: -110.844 tors. eta vs tors. theta energy: -179.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -2012.322603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.322603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.322603 (E_RNA) where: Base-Base interactions energy: -1319.056 where: short stacking energy: -596.669 Base-Backbone interact. energy: -1.458 local terms energy: -691.808732 where: bonds (distance) C4'-P energy: -136.886 bonds (distance) P-C4' energy: -137.087 flat angles C4'-P-C4' energy: -150.971 flat angles P-C4'-P energy: -117.562 tors. eta vs tors. theta energy: -149.303 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: 7, replica: 10 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1419.846074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.846074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.846074 (E_RNA) where: Base-Base interactions energy: -822.405 where: short stacking energy: -425.298 Base-Backbone interact. energy: 0.200 local terms energy: -597.641591 where: bonds (distance) C4'-P energy: -130.531 bonds (distance) P-C4' energy: -146.384 flat angles C4'-P-C4' energy: -143.410 flat angles P-C4'-P energy: -92.992 tors. eta vs tors. theta energy: -84.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1303.230315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.230315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.230315 (E_RNA) where: Base-Base interactions energy: -764.258 where: short stacking energy: -373.705 Base-Backbone interact. energy: -0.237 local terms energy: -538.735493 where: bonds (distance) C4'-P energy: -141.282 bonds (distance) P-C4' energy: -133.429 flat angles C4'-P-C4' energy: -130.364 flat angles P-C4'-P energy: -74.151 tors. eta vs tors. theta energy: -59.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -769.992465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.992465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.992465 (E_RNA) where: Base-Base interactions energy: -300.312 where: short stacking energy: -180.320 Base-Backbone interact. energy: -0.446 local terms energy: -469.235268 where: bonds (distance) C4'-P energy: -120.797 bonds (distance) P-C4' energy: -143.503 flat angles C4'-P-C4' energy: -124.901 flat angles P-C4'-P energy: -77.675 tors. eta vs tors. theta energy: -2.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -706.518235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.518235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.518235 (E_RNA) where: Base-Base interactions energy: -282.714 where: short stacking energy: -210.501 Base-Backbone interact. energy: 0.658 local terms energy: -424.462390 where: bonds (distance) C4'-P energy: -120.831 bonds (distance) P-C4' energy: -134.515 flat angles C4'-P-C4' energy: -128.969 flat angles P-C4'-P energy: -53.603 tors. eta vs tors. theta energy: 13.455 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: 307 Temperature: 0.900000 Total energy: -2664.096372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.096372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.096372 (E_RNA) where: Base-Base interactions energy: -1844.446 where: short stacking energy: -769.508 Base-Backbone interact. energy: -7.364 local terms energy: -812.285959 where: bonds (distance) C4'-P energy: -151.249 bonds (distance) P-C4' energy: -159.116 flat angles C4'-P-C4' energy: -171.436 flat angles P-C4'-P energy: -112.228 tors. eta vs tors. theta energy: -218.256 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: 1 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -2618.795044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.795044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.795044 (E_RNA) where: Base-Base interactions energy: -1799.795 where: short stacking energy: -745.504 Base-Backbone interact. energy: -0.038 local terms energy: -818.962350 where: bonds (distance) C4'-P energy: -160.158 bonds (distance) P-C4' energy: -159.383 flat angles C4'-P-C4' energy: -169.427 flat angles P-C4'-P energy: -112.416 tors. eta vs tors. theta energy: -217.577 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: 2 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -2455.067282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.067282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.067282 (E_RNA) where: Base-Base interactions energy: -1675.941 where: short stacking energy: -743.506 Base-Backbone interact. energy: 2.972 local terms energy: -782.097824 where: bonds (distance) C4'-P energy: -139.461 bonds (distance) P-C4' energy: -140.260 flat angles C4'-P-C4' energy: -179.329 flat angles P-C4'-P energy: -108.981 tors. eta vs tors. theta energy: -214.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -2315.531889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.531889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.531889 (E_RNA) where: Base-Base interactions energy: -1562.848 where: short stacking energy: -643.803 Base-Backbone interact. energy: 1.656 local terms energy: -754.339262 where: bonds (distance) C4'-P energy: -137.857 bonds (distance) P-C4' energy: -146.367 flat angles C4'-P-C4' energy: -178.761 flat angles P-C4'-P energy: -105.359 tors. eta vs tors. theta energy: -185.995 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: 5, replica: 5 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -2150.392818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.392818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.392818 (E_RNA) where: Base-Base interactions energy: -1439.586 where: short stacking energy: -638.191 Base-Backbone interact. energy: 1.967 local terms energy: -712.774468 where: bonds (distance) C4'-P energy: -144.203 bonds (distance) P-C4' energy: -141.363 flat angles C4'-P-C4' energy: -157.611 flat angles P-C4'-P energy: -98.408 tors. eta vs tors. theta energy: -171.190 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: 6 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -1992.102295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.102295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.102295 (E_RNA) where: Base-Base interactions energy: -1287.804 where: short stacking energy: -560.308 Base-Backbone interact. energy: -3.428 local terms energy: -700.869859 where: bonds (distance) C4'-P energy: -150.891 bonds (distance) P-C4' energy: -157.695 flat angles C4'-P-C4' energy: -144.664 flat angles P-C4'-P energy: -98.703 tors. eta vs tors. theta energy: -148.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1503.403235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.403235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.403235 (E_RNA) where: Base-Base interactions energy: -919.849 where: short stacking energy: -451.910 Base-Backbone interact. energy: -5.167 local terms energy: -578.387466 where: bonds (distance) C4'-P energy: -122.863 bonds (distance) P-C4' energy: -135.013 flat angles C4'-P-C4' energy: -145.344 flat angles P-C4'-P energy: -99.625 tors. eta vs tors. theta energy: -75.542 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: 8, replica: 3 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1241.692222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.692222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.692222 (E_RNA) where: Base-Base interactions energy: -741.837 where: short stacking energy: -342.758 Base-Backbone interact. energy: 2.396 local terms energy: -502.251258 where: bonds (distance) C4'-P energy: -117.052 bonds (distance) P-C4' energy: -147.306 flat angles C4'-P-C4' energy: -124.820 flat angles P-C4'-P energy: -75.442 tors. eta vs tors. theta energy: -37.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -732.766805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.766805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.766805 (E_RNA) where: Base-Base interactions energy: -281.611 where: short stacking energy: -214.151 Base-Backbone interact. energy: 1.892 local terms energy: -453.047725 where: bonds (distance) C4'-P energy: -128.496 bonds (distance) P-C4' energy: -124.366 flat angles C4'-P-C4' energy: -119.596 flat angles P-C4'-P energy: -87.248 tors. eta vs tors. theta energy: 6.659 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: 7 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -711.209292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.209292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.209292 (E_RNA) where: Base-Base interactions energy: -292.022 where: short stacking energy: -194.055 Base-Backbone interact. energy: 4.744 local terms energy: -423.932054 where: bonds (distance) C4'-P energy: -120.077 bonds (distance) P-C4' energy: -155.116 flat angles C4'-P-C4' energy: -100.465 flat angles P-C4'-P energy: -77.751 tors. eta vs tors. theta energy: 29.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -2686.319933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.319933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.319933 (E_RNA) where: Base-Base interactions energy: -1869.668 where: short stacking energy: -784.564 Base-Backbone interact. energy: -3.960 local terms energy: -812.691465 where: bonds (distance) C4'-P energy: -138.172 bonds (distance) P-C4' energy: -164.726 flat angles C4'-P-C4' energy: -184.503 flat angles P-C4'-P energy: -102.303 tors. eta vs tors. theta energy: -222.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -2583.459689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.459689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.459689 (E_RNA) where: Base-Base interactions energy: -1795.532 where: short stacking energy: -710.082 Base-Backbone interact. energy: -0.166 local terms energy: -787.761649 where: bonds (distance) C4'-P energy: -146.794 bonds (distance) P-C4' energy: -170.694 flat angles C4'-P-C4' energy: -170.945 flat angles P-C4'-P energy: -106.549 tors. eta vs tors. theta energy: -192.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -2481.066135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.066135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.066135 (E_RNA) where: Base-Base interactions energy: -1684.490 where: short stacking energy: -741.357 Base-Backbone interact. energy: -0.660 local terms energy: -795.916361 where: bonds (distance) C4'-P energy: -153.698 bonds (distance) P-C4' energy: -156.639 flat angles C4'-P-C4' energy: -181.765 flat angles P-C4'-P energy: -98.291 tors. eta vs tors. theta energy: -205.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -2296.759001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.759001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.759001 (E_RNA) where: Base-Base interactions energy: -1543.175 where: short stacking energy: -654.922 Base-Backbone interact. energy: 6.933 local terms energy: -760.517285 where: bonds (distance) C4'-P energy: -141.371 bonds (distance) P-C4' energy: -150.934 flat angles C4'-P-C4' energy: -170.577 flat angles P-C4'-P energy: -115.749 tors. eta vs tors. theta energy: -181.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -2155.195330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.195330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.195330 (E_RNA) where: Base-Base interactions energy: -1426.493 where: short stacking energy: -632.381 Base-Backbone interact. energy: 0.226 local terms energy: -728.928003 where: bonds (distance) C4'-P energy: -131.937 bonds (distance) P-C4' energy: -166.898 flat angles C4'-P-C4' energy: -161.851 flat angles P-C4'-P energy: -81.125 tors. eta vs tors. theta energy: -187.117 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: 6, replica: 6 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -2058.621677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.621677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.621677 (E_RNA) where: Base-Base interactions energy: -1347.030 where: short stacking energy: -604.042 Base-Backbone interact. energy: -0.188 local terms energy: -711.403489 where: bonds (distance) C4'-P energy: -138.839 bonds (distance) P-C4' energy: -146.822 flat angles C4'-P-C4' energy: -166.387 flat angles P-C4'-P energy: -74.881 tors. eta vs tors. theta energy: -184.474 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: 10 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1397.546869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.546869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.546869 (E_RNA) where: Base-Base interactions energy: -808.936 where: short stacking energy: -387.481 Base-Backbone interact. energy: 0.235 local terms energy: -588.846044 where: bonds (distance) C4'-P energy: -137.360 bonds (distance) P-C4' energy: -146.404 flat angles C4'-P-C4' energy: -141.592 flat angles P-C4'-P energy: -86.961 tors. eta vs tors. theta energy: -76.528 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: 8, replica: 3 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1193.246366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.246366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.246366 (E_RNA) where: Base-Base interactions energy: -707.271 where: short stacking energy: -352.883 Base-Backbone interact. energy: -0.891 local terms energy: -485.084163 where: bonds (distance) C4'-P energy: -118.272 bonds (distance) P-C4' energy: -138.775 flat angles C4'-P-C4' energy: -112.697 flat angles P-C4'-P energy: -81.289 tors. eta vs tors. theta energy: -34.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -793.416674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.416674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.416674 (E_RNA) where: Base-Base interactions energy: -336.967 where: short stacking energy: -232.411 Base-Backbone interact. energy: -3.194 local terms energy: -453.255672 where: bonds (distance) C4'-P energy: -126.772 bonds (distance) P-C4' energy: -132.507 flat angles C4'-P-C4' energy: -114.787 flat angles P-C4'-P energy: -78.492 tors. eta vs tors. theta energy: -0.698 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: 10, replica: 7 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -670.858547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.858547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.858547 (E_RNA) where: Base-Base interactions energy: -259.678 where: short stacking energy: -178.842 Base-Backbone interact. energy: -4.712 local terms energy: -406.468461 where: bonds (distance) C4'-P energy: -102.525 bonds (distance) P-C4' energy: -140.286 flat angles C4'-P-C4' energy: -131.123 flat angles P-C4'-P energy: -51.486 tors. eta vs tors. theta energy: 18.951 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: 1, replica: 1 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -2677.035134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.035134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.035134 (E_RNA) where: Base-Base interactions energy: -1847.247 where: short stacking energy: -786.224 Base-Backbone interact. energy: -2.495 local terms energy: -827.293225 where: bonds (distance) C4'-P energy: -163.175 bonds (distance) P-C4' energy: -141.601 flat angles C4'-P-C4' energy: -187.955 flat angles P-C4'-P energy: -105.745 tors. eta vs tors. theta energy: -228.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2668.163737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.163737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.163737 (E_RNA) where: Base-Base interactions energy: -1870.707 where: short stacking energy: -746.507 Base-Backbone interact. energy: -3.423 local terms energy: -794.034191 where: bonds (distance) C4'-P energy: -151.042 bonds (distance) P-C4' energy: -160.193 flat angles C4'-P-C4' energy: -178.069 flat angles P-C4'-P energy: -107.490 tors. eta vs tors. theta energy: -197.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2478.732676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.732676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.732676 (E_RNA) where: Base-Base interactions energy: -1687.389 where: short stacking energy: -738.941 Base-Backbone interact. energy: -2.421 local terms energy: -788.922386 where: bonds (distance) C4'-P energy: -145.066 bonds (distance) P-C4' energy: -145.875 flat angles C4'-P-C4' energy: -183.844 flat angles P-C4'-P energy: -102.664 tors. eta vs tors. theta energy: -211.473 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: 309 Temperature: 1.050000 Total energy: -2331.153557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.153557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.153557 (E_RNA) where: Base-Base interactions energy: -1540.857 where: short stacking energy: -701.032 Base-Backbone interact. energy: 3.705 local terms energy: -794.001660 where: bonds (distance) C4'-P energy: -153.918 bonds (distance) P-C4' energy: -145.883 flat angles C4'-P-C4' energy: -177.761 flat angles P-C4'-P energy: -124.194 tors. eta vs tors. theta energy: -192.246 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: 309 Temperature: 1.100000 Total energy: -2160.001114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.001114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.001114 (E_RNA) where: Base-Base interactions energy: -1431.041 where: short stacking energy: -622.771 Base-Backbone interact. energy: -1.722 local terms energy: -727.237773 where: bonds (distance) C4'-P energy: -143.734 bonds (distance) P-C4' energy: -140.177 flat angles C4'-P-C4' energy: -162.759 flat angles P-C4'-P energy: -106.481 tors. eta vs tors. theta energy: -174.088 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: 6, replica: 6 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -2004.706813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.706813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.706813 (E_RNA) where: Base-Base interactions energy: -1318.678 where: short stacking energy: -603.682 Base-Backbone interact. energy: -0.821 local terms energy: -685.208018 where: bonds (distance) C4'-P energy: -123.464 bonds (distance) P-C4' energy: -141.406 flat angles C4'-P-C4' energy: -160.272 flat angles P-C4'-P energy: -88.967 tors. eta vs tors. theta energy: -171.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1427.582629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.582629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.582629 (E_RNA) where: Base-Base interactions energy: -851.253 where: short stacking energy: -424.155 Base-Backbone interact. energy: 0.980 local terms energy: -577.309447 where: bonds (distance) C4'-P energy: -119.760 bonds (distance) P-C4' energy: -142.825 flat angles C4'-P-C4' energy: -141.736 flat angles P-C4'-P energy: -109.440 tors. eta vs tors. theta energy: -63.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1174.548330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.548330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.548330 (E_RNA) where: Base-Base interactions energy: -674.688 where: short stacking energy: -345.740 Base-Backbone interact. energy: -3.298 local terms energy: -496.562102 where: bonds (distance) C4'-P energy: -141.172 bonds (distance) P-C4' energy: -129.080 flat angles C4'-P-C4' energy: -124.456 flat angles P-C4'-P energy: -72.890 tors. eta vs tors. theta energy: -28.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -831.433198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.433198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.433198 (E_RNA) where: Base-Base interactions energy: -331.985 where: short stacking energy: -208.425 Base-Backbone interact. energy: -4.378 local terms energy: -495.070661 where: bonds (distance) C4'-P energy: -148.350 bonds (distance) P-C4' energy: -134.595 flat angles C4'-P-C4' energy: -123.828 flat angles P-C4'-P energy: -71.424 tors. eta vs tors. theta energy: -16.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -683.875532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.875532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.875532 (E_RNA) where: Base-Base interactions energy: -276.829 where: short stacking energy: -177.848 Base-Backbone interact. energy: 4.003 local terms energy: -411.049026 where: bonds (distance) C4'-P energy: -134.123 bonds (distance) P-C4' energy: -144.389 flat angles C4'-P-C4' energy: -114.903 flat angles P-C4'-P energy: -46.004 tors. eta vs tors. theta energy: 28.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -2639.750764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.750764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.750764 (E_RNA) where: Base-Base interactions energy: -1842.415 where: short stacking energy: -795.762 Base-Backbone interact. energy: -0.877 local terms energy: -796.458460 where: bonds (distance) C4'-P energy: -154.225 bonds (distance) P-C4' energy: -143.881 flat angles C4'-P-C4' energy: -162.164 flat angles P-C4'-P energy: -101.223 tors. eta vs tors. theta energy: -234.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -2568.713480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.713480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.713480 (E_RNA) where: Base-Base interactions energy: -1773.836 where: short stacking energy: -706.823 Base-Backbone interact. energy: 0.151 local terms energy: -795.028419 where: bonds (distance) C4'-P energy: -143.197 bonds (distance) P-C4' energy: -168.515 flat angles C4'-P-C4' energy: -173.478 flat angles P-C4'-P energy: -112.689 tors. eta vs tors. theta energy: -197.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -2492.146179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.146179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.146179 (E_RNA) where: Base-Base interactions energy: -1696.818 where: short stacking energy: -728.402 Base-Backbone interact. energy: -0.694 local terms energy: -794.634212 where: bonds (distance) C4'-P energy: -149.595 bonds (distance) P-C4' energy: -153.196 flat angles C4'-P-C4' energy: -185.120 flat angles P-C4'-P energy: -93.741 tors. eta vs tors. theta energy: -212.982 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: 4, replica: 4 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -2344.044134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.044134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.044134 (E_RNA) where: Base-Base interactions energy: -1573.096 where: short stacking energy: -675.584 Base-Backbone interact. energy: -1.882 local terms energy: -769.066305 where: bonds (distance) C4'-P energy: -146.666 bonds (distance) P-C4' energy: -163.836 flat angles C4'-P-C4' energy: -166.547 flat angles P-C4'-P energy: -95.023 tors. eta vs tors. theta energy: -196.995 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: 5, replica: 5 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -2236.892722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.892722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.892722 (E_RNA) where: Base-Base interactions energy: -1499.049 where: short stacking energy: -666.441 Base-Backbone interact. energy: -1.615 local terms energy: -736.228663 where: bonds (distance) C4'-P energy: -138.083 bonds (distance) P-C4' energy: -141.703 flat angles C4'-P-C4' energy: -158.519 flat angles P-C4'-P energy: -103.051 tors. eta vs tors. theta energy: -194.873 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: 6, replica: 6 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -1941.335016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.335016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.335016 (E_RNA) where: Base-Base interactions energy: -1273.944 where: short stacking energy: -563.549 Base-Backbone interact. energy: -0.726 local terms energy: -666.664511 where: bonds (distance) C4'-P energy: -139.844 bonds (distance) P-C4' energy: -132.706 flat angles C4'-P-C4' energy: -156.509 flat angles P-C4'-P energy: -81.786 tors. eta vs tors. theta energy: -155.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1322.355252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.355252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.355252 (E_RNA) where: Base-Base interactions energy: -762.966 where: short stacking energy: -400.089 Base-Backbone interact. energy: -0.220 local terms energy: -559.169458 where: bonds (distance) C4'-P energy: -116.257 bonds (distance) P-C4' energy: -149.624 flat angles C4'-P-C4' energy: -144.176 flat angles P-C4'-P energy: -78.961 tors. eta vs tors. theta energy: -70.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1189.111569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.111569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.111569 (E_RNA) where: Base-Base interactions energy: -701.546 where: short stacking energy: -359.409 Base-Backbone interact. energy: 1.336 local terms energy: -488.901056 where: bonds (distance) C4'-P energy: -129.530 bonds (distance) P-C4' energy: -112.637 flat angles C4'-P-C4' energy: -141.204 flat angles P-C4'-P energy: -70.919 tors. eta vs tors. theta energy: -34.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -719.339628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.339628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.339628 (E_RNA) where: Base-Base interactions energy: -273.568 where: short stacking energy: -188.177 Base-Backbone interact. energy: 1.409 local terms energy: -447.180192 where: bonds (distance) C4'-P energy: -132.977 bonds (distance) P-C4' energy: -154.434 flat angles C4'-P-C4' energy: -117.745 flat angles P-C4'-P energy: -62.994 tors. eta vs tors. theta energy: 20.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -748.821518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.821518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.821518 (E_RNA) where: Base-Base interactions energy: -330.508 where: short stacking energy: -210.117 Base-Backbone interact. energy: 0.681 local terms energy: -418.994278 where: bonds (distance) C4'-P energy: -136.895 bonds (distance) P-C4' energy: -115.153 flat angles C4'-P-C4' energy: -112.671 flat angles P-C4'-P energy: -59.235 tors. eta vs tors. theta energy: 4.959 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: 1 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -2684.598146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.598146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.598146 (E_RNA) where: Base-Base interactions energy: -1856.469 where: short stacking energy: -791.243 Base-Backbone interact. energy: -4.161 local terms energy: -823.968173 where: bonds (distance) C4'-P energy: -172.151 bonds (distance) P-C4' energy: -157.871 flat angles C4'-P-C4' energy: -169.901 flat angles P-C4'-P energy: -103.564 tors. eta vs tors. theta energy: -220.480 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: 2, replica: 8 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -2619.171169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.171169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.171169 (E_RNA) where: Base-Base interactions energy: -1809.614 where: short stacking energy: -752.520 Base-Backbone interact. energy: -6.252 local terms energy: -803.304874 where: bonds (distance) C4'-P energy: -138.223 bonds (distance) P-C4' energy: -165.657 flat angles C4'-P-C4' energy: -184.483 flat angles P-C4'-P energy: -112.834 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: 2 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -2483.439769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.439769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.439769 (E_RNA) where: Base-Base interactions energy: -1699.238 where: short stacking energy: -703.510 Base-Backbone interact. energy: -3.855 local terms energy: -780.347528 where: bonds (distance) C4'-P energy: -153.749 bonds (distance) P-C4' energy: -150.020 flat angles C4'-P-C4' energy: -157.512 flat angles P-C4'-P energy: -119.905 tors. eta vs tors. theta energy: -199.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -2337.799105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.799105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.799105 (E_RNA) where: Base-Base interactions energy: -1586.445 where: short stacking energy: -669.291 Base-Backbone interact. energy: -5.908 local terms energy: -745.446467 where: bonds (distance) C4'-P energy: -162.097 bonds (distance) P-C4' energy: -147.182 flat angles C4'-P-C4' energy: -154.256 flat angles P-C4'-P energy: -98.742 tors. eta vs tors. theta energy: -183.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -2225.072249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.072249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.072249 (E_RNA) where: Base-Base interactions energy: -1510.113 where: short stacking energy: -673.469 Base-Backbone interact. energy: -0.798 local terms energy: -714.160668 where: bonds (distance) C4'-P energy: -116.198 bonds (distance) P-C4' energy: -147.533 flat angles C4'-P-C4' energy: -174.017 flat angles P-C4'-P energy: -96.379 tors. eta vs tors. theta energy: -180.033 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: 6 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -2028.278778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.278778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.278778 (E_RNA) where: Base-Base interactions energy: -1335.752 where: short stacking energy: -576.192 Base-Backbone interact. energy: -0.214 local terms energy: -692.312791 where: bonds (distance) C4'-P energy: -154.917 bonds (distance) P-C4' energy: -152.774 flat angles C4'-P-C4' energy: -146.005 flat angles P-C4'-P energy: -89.748 tors. eta vs tors. theta energy: -148.870 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: 10 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1271.177740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.177740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.177740 (E_RNA) where: Base-Base interactions energy: -752.641 where: short stacking energy: -368.831 Base-Backbone interact. energy: -3.751 local terms energy: -514.785451 where: bonds (distance) C4'-P energy: -134.504 bonds (distance) P-C4' energy: -146.239 flat angles C4'-P-C4' energy: -114.714 flat angles P-C4'-P energy: -83.673 tors. eta vs tors. theta energy: -35.655 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: 3 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1246.564955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.564955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.564955 (E_RNA) where: Base-Base interactions energy: -729.780 where: short stacking energy: -345.790 Base-Backbone interact. energy: 2.771 local terms energy: -519.555676 where: bonds (distance) C4'-P energy: -131.135 bonds (distance) P-C4' energy: -148.461 flat angles C4'-P-C4' energy: -116.413 flat angles P-C4'-P energy: -79.312 tors. eta vs tors. theta energy: -44.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -749.640520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.640520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.640520 (E_RNA) where: Base-Base interactions energy: -305.955 where: short stacking energy: -193.056 Base-Backbone interact. energy: 4.010 local terms energy: -447.695836 where: bonds (distance) C4'-P energy: -129.816 bonds (distance) P-C4' energy: -156.532 flat angles C4'-P-C4' energy: -129.915 flat angles P-C4'-P energy: -61.631 tors. eta vs tors. theta energy: 30.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -708.673771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.673771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.673771 (E_RNA) where: Base-Base interactions energy: -325.121 where: short stacking energy: -227.175 Base-Backbone interact. energy: 2.797 local terms energy: -386.350102 where: bonds (distance) C4'-P energy: -119.198 bonds (distance) P-C4' energy: -133.930 flat angles C4'-P-C4' energy: -97.137 flat angles P-C4'-P energy: -57.335 tors. eta vs tors. theta energy: 21.250 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: 1, replica: 1 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -2684.154863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.154863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.154863 (E_RNA) where: Base-Base interactions energy: -1864.673 where: short stacking energy: -796.005 Base-Backbone interact. energy: -2.958 local terms energy: -816.523707 where: bonds (distance) C4'-P energy: -156.347 bonds (distance) P-C4' energy: -143.802 flat angles C4'-P-C4' energy: -185.485 flat angles P-C4'-P energy: -109.068 tors. eta vs tors. theta energy: -221.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -2630.986290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.986290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.986290 (E_RNA) where: Base-Base interactions energy: -1802.053 where: short stacking energy: -760.439 Base-Backbone interact. energy: -2.158 local terms energy: -826.775242 where: bonds (distance) C4'-P energy: -160.338 bonds (distance) P-C4' energy: -153.502 flat angles C4'-P-C4' energy: -178.931 flat angles P-C4'-P energy: -116.153 tors. eta vs tors. theta energy: -217.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -2521.641082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.641082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.641082 (E_RNA) where: Base-Base interactions energy: -1729.176 where: short stacking energy: -731.237 Base-Backbone interact. energy: 1.540 local terms energy: -794.006025 where: bonds (distance) C4'-P energy: -144.200 bonds (distance) P-C4' energy: -148.555 flat angles C4'-P-C4' energy: -178.164 flat angles P-C4'-P energy: -118.726 tors. eta vs tors. theta energy: -204.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -2388.766544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.766544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.766544 (E_RNA) where: Base-Base interactions energy: -1598.491 where: short stacking energy: -700.380 Base-Backbone interact. energy: 1.994 local terms energy: -792.269322 where: bonds (distance) C4'-P energy: -157.976 bonds (distance) P-C4' energy: -151.633 flat angles C4'-P-C4' energy: -165.008 flat angles P-C4'-P energy: -114.907 tors. eta vs tors. theta energy: -202.746 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: 5, replica: 5 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -2139.827268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.827268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.827268 (E_RNA) where: Base-Base interactions energy: -1404.838 where: short stacking energy: -621.121 Base-Backbone interact. energy: 2.219 local terms energy: -737.208339 where: bonds (distance) C4'-P energy: -160.517 bonds (distance) P-C4' energy: -143.952 flat angles C4'-P-C4' energy: -160.270 flat angles P-C4'-P energy: -107.857 tors. eta vs tors. theta energy: -164.612 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: 6, replica: 6 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -1949.094590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.094590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.094590 (E_RNA) where: Base-Base interactions energy: -1276.532 where: short stacking energy: -538.199 Base-Backbone interact. energy: 7.276 local terms energy: -679.838833 where: bonds (distance) C4'-P energy: -148.477 bonds (distance) P-C4' energy: -146.465 flat angles C4'-P-C4' energy: -153.623 flat angles P-C4'-P energy: -98.416 tors. eta vs tors. theta energy: -132.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1384.473736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.473736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.473736 (E_RNA) where: Base-Base interactions energy: -791.882 where: short stacking energy: -401.355 Base-Backbone interact. energy: 1.775 local terms energy: -594.367102 where: bonds (distance) C4'-P energy: -146.280 bonds (distance) P-C4' energy: -148.232 flat angles C4'-P-C4' energy: -130.597 flat angles P-C4'-P energy: -84.499 tors. eta vs tors. theta energy: -84.759 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: 10 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1269.933136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.933136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.933136 (E_RNA) where: Base-Base interactions energy: -760.698 where: short stacking energy: -370.333 Base-Backbone interact. energy: 5.831 local terms energy: -515.065655 where: bonds (distance) C4'-P energy: -107.068 bonds (distance) P-C4' energy: -134.326 flat angles C4'-P-C4' energy: -127.286 flat angles P-C4'-P energy: -81.777 tors. eta vs tors. theta energy: -64.610 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: 9, replica: 7 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -778.285582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.285582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.285582 (E_RNA) where: Base-Base interactions energy: -345.906 where: short stacking energy: -216.066 Base-Backbone interact. energy: -0.125 local terms energy: -432.254388 where: bonds (distance) C4'-P energy: -132.269 bonds (distance) P-C4' energy: -154.187 flat angles C4'-P-C4' energy: -96.784 flat angles P-C4'-P energy: -75.474 tors. eta vs tors. theta energy: 26.461 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: 9 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -697.392039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.392039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.392039 (E_RNA) where: Base-Base interactions energy: -288.359 where: short stacking energy: -191.691 Base-Backbone interact. energy: -0.633 local terms energy: -408.400217 where: bonds (distance) C4'-P energy: -125.647 bonds (distance) P-C4' energy: -139.784 flat angles C4'-P-C4' energy: -101.439 flat angles P-C4'-P energy: -66.791 tors. eta vs tors. theta energy: 25.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -2707.556504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.556504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.556504 (E_RNA) where: Base-Base interactions energy: -1860.636 where: short stacking energy: -796.390 Base-Backbone interact. energy: -5.770 local terms energy: -841.150932 where: bonds (distance) C4'-P energy: -154.691 bonds (distance) P-C4' energy: -180.697 flat angles C4'-P-C4' energy: -164.201 flat angles P-C4'-P energy: -106.417 tors. eta vs tors. theta energy: -235.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -2567.545813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.545813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.545813 (E_RNA) where: Base-Base interactions energy: -1749.284 where: short stacking energy: -757.755 Base-Backbone interact. energy: 0.663 local terms energy: -818.924630 where: bonds (distance) C4'-P energy: -139.047 bonds (distance) P-C4' energy: -155.873 flat angles C4'-P-C4' energy: -185.300 flat angles P-C4'-P energy: -114.530 tors. eta vs tors. theta energy: -224.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -2521.956037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.956037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.956037 (E_RNA) where: Base-Base interactions energy: -1733.861 where: short stacking energy: -698.779 Base-Backbone interact. energy: -3.594 local terms energy: -784.501294 where: bonds (distance) C4'-P energy: -158.913 bonds (distance) P-C4' energy: -152.411 flat angles C4'-P-C4' energy: -162.676 flat angles P-C4'-P energy: -112.614 tors. eta vs tors. theta energy: -197.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -2376.624543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.624543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.624543 (E_RNA) where: Base-Base interactions energy: -1601.947 where: short stacking energy: -695.790 Base-Backbone interact. energy: -1.743 local terms energy: -772.934920 where: bonds (distance) C4'-P energy: -147.306 bonds (distance) P-C4' energy: -146.455 flat angles C4'-P-C4' energy: -177.482 flat angles P-C4'-P energy: -101.846 tors. eta vs tors. theta energy: -199.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -2226.478562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.478562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.478562 (E_RNA) where: Base-Base interactions energy: -1470.431 where: short stacking energy: -661.825 Base-Backbone interact. energy: 2.350 local terms energy: -758.397807 where: bonds (distance) C4'-P energy: -151.270 bonds (distance) P-C4' energy: -159.057 flat angles C4'-P-C4' energy: -161.086 flat angles P-C4'-P energy: -107.007 tors. eta vs tors. theta energy: -179.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -1942.621410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.621410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.621410 (E_RNA) where: Base-Base interactions energy: -1248.034 where: short stacking energy: -549.287 Base-Backbone interact. energy: -2.451 local terms energy: -692.136186 where: bonds (distance) C4'-P energy: -154.003 bonds (distance) P-C4' energy: -153.027 flat angles C4'-P-C4' energy: -154.631 flat angles P-C4'-P energy: -99.454 tors. eta vs tors. theta energy: -131.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1401.162597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.162597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.162597 (E_RNA) where: Base-Base interactions energy: -828.359 where: short stacking energy: -400.939 Base-Backbone interact. energy: -1.032 local terms energy: -571.771804 where: bonds (distance) C4'-P energy: -124.942 bonds (distance) P-C4' energy: -139.470 flat angles C4'-P-C4' energy: -140.909 flat angles P-C4'-P energy: -87.603 tors. eta vs tors. theta energy: -78.849 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: 10 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1268.826713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.826713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.826713 (E_RNA) where: Base-Base interactions energy: -759.580 where: short stacking energy: -352.466 Base-Backbone interact. energy: -4.332 local terms energy: -504.915169 where: bonds (distance) C4'-P energy: -129.238 bonds (distance) P-C4' energy: -142.490 flat angles C4'-P-C4' energy: -128.659 flat angles P-C4'-P energy: -63.918 tors. eta vs tors. theta energy: -40.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -828.420491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.420491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.420491 (E_RNA) where: Base-Base interactions energy: -374.762 where: short stacking energy: -236.921 Base-Backbone interact. energy: 3.154 local terms energy: -456.813319 where: bonds (distance) C4'-P energy: -125.621 bonds (distance) P-C4' energy: -145.249 flat angles C4'-P-C4' energy: -130.339 flat angles P-C4'-P energy: -57.105 tors. eta vs tors. theta energy: 1.501 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: 10, replica: 9 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -680.084800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.084800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.084800 (E_RNA) where: Base-Base interactions energy: -286.882 where: short stacking energy: -182.426 Base-Backbone interact. energy: 1.082 local terms energy: -394.284837 where: bonds (distance) C4'-P energy: -131.615 bonds (distance) P-C4' energy: -123.961 flat angles C4'-P-C4' energy: -110.664 flat angles P-C4'-P energy: -58.567 tors. eta vs tors. theta energy: 30.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -2697.499864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.499864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.499864 (E_RNA) where: Base-Base interactions energy: -1837.120 where: short stacking energy: -782.245 Base-Backbone interact. energy: -2.456 local terms energy: -857.924096 where: bonds (distance) C4'-P energy: -165.081 bonds (distance) P-C4' energy: -167.493 flat angles C4'-P-C4' energy: -179.493 flat angles P-C4'-P energy: -128.765 tors. eta vs tors. theta energy: -217.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -2592.534766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.534766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.534766 (E_RNA) where: Base-Base interactions energy: -1761.599 where: short stacking energy: -763.660 Base-Backbone interact. energy: -4.211 local terms energy: -826.724519 where: bonds (distance) C4'-P energy: -156.097 bonds (distance) P-C4' energy: -151.545 flat angles C4'-P-C4' energy: -193.794 flat angles P-C4'-P energy: -105.643 tors. eta vs tors. theta energy: -219.645 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: 8 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2525.980998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.980998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.980998 (E_RNA) where: Base-Base interactions energy: -1727.669 where: short stacking energy: -684.096 Base-Backbone interact. energy: -2.987 local terms energy: -795.325144 where: bonds (distance) C4'-P energy: -145.095 bonds (distance) P-C4' energy: -164.184 flat angles C4'-P-C4' energy: -178.211 flat angles P-C4'-P energy: -106.245 tors. eta vs tors. theta energy: -201.591 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: 4, replica: 4 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -2363.208179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.208179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.208179 (E_RNA) where: Base-Base interactions energy: -1605.433 where: short stacking energy: -678.690 Base-Backbone interact. energy: -3.633 local terms energy: -754.141531 where: bonds (distance) C4'-P energy: -146.405 bonds (distance) P-C4' energy: -139.824 flat angles C4'-P-C4' energy: -161.191 flat angles P-C4'-P energy: -118.247 tors. eta vs tors. theta energy: -188.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -2201.643604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.643604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.643604 (E_RNA) where: Base-Base interactions energy: -1425.907 where: short stacking energy: -624.170 Base-Backbone interact. energy: -1.107 local terms energy: -774.629509 where: bonds (distance) C4'-P energy: -156.633 bonds (distance) P-C4' energy: -150.788 flat angles C4'-P-C4' energy: -155.338 flat angles P-C4'-P energy: -107.231 tors. eta vs tors. theta energy: -204.640 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: 6 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1975.952320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.952320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.952320 (E_RNA) where: Base-Base interactions energy: -1323.936 where: short stacking energy: -584.040 Base-Backbone interact. energy: -2.299 local terms energy: -649.716502 where: bonds (distance) C4'-P energy: -140.409 bonds (distance) P-C4' energy: -140.384 flat angles C4'-P-C4' energy: -138.814 flat angles P-C4'-P energy: -90.651 tors. eta vs tors. theta energy: -139.459 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: 3 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1435.020507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.020507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.020507 (E_RNA) where: Base-Base interactions energy: -867.833 where: short stacking energy: -439.567 Base-Backbone interact. energy: -1.732 local terms energy: -565.455568 where: bonds (distance) C4'-P energy: -133.976 bonds (distance) P-C4' energy: -143.502 flat angles C4'-P-C4' energy: -143.043 flat angles P-C4'-P energy: -78.035 tors. eta vs tors. theta energy: -66.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1340.937687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.937687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.937687 (E_RNA) where: Base-Base interactions energy: -809.998 where: short stacking energy: -383.519 Base-Backbone interact. energy: 0.830 local terms energy: -531.769614 where: bonds (distance) C4'-P energy: -130.980 bonds (distance) P-C4' energy: -119.606 flat angles C4'-P-C4' energy: -123.637 flat angles P-C4'-P energy: -87.257 tors. eta vs tors. theta energy: -70.290 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: 9, replica: 7 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -797.748148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.748148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.748148 (E_RNA) where: Base-Base interactions energy: -334.920 where: short stacking energy: -220.490 Base-Backbone interact. energy: -0.978 local terms energy: -461.850345 where: bonds (distance) C4'-P energy: -121.205 bonds (distance) P-C4' energy: -141.434 flat angles C4'-P-C4' energy: -126.247 flat angles P-C4'-P energy: -66.525 tors. eta vs tors. theta energy: -6.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -720.535615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.535615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.535615 (E_RNA) where: Base-Base interactions energy: -307.995 where: short stacking energy: -202.888 Base-Backbone interact. energy: 4.817 local terms energy: -417.357876 where: bonds (distance) C4'-P energy: -122.132 bonds (distance) P-C4' energy: -133.557 flat angles C4'-P-C4' energy: -99.936 flat angles P-C4'-P energy: -69.276 tors. eta vs tors. theta energy: 7.544 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: 1 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -2696.928282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.928282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.928282 (E_RNA) where: Base-Base interactions energy: -1836.679 where: short stacking energy: -786.926 Base-Backbone interact. energy: -3.252 local terms energy: -856.997422 where: bonds (distance) C4'-P energy: -146.437 bonds (distance) P-C4' energy: -169.068 flat angles C4'-P-C4' energy: -183.985 flat angles P-C4'-P energy: -126.527 tors. eta vs tors. theta energy: -230.980 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: 2 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -2592.162087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.162087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.162087 (E_RNA) where: Base-Base interactions energy: -1772.409 where: short stacking energy: -779.153 Base-Backbone interact. energy: -1.854 local terms energy: -817.899455 where: bonds (distance) C4'-P energy: -150.531 bonds (distance) P-C4' energy: -157.464 flat angles C4'-P-C4' energy: -175.861 flat angles P-C4'-P energy: -109.022 tors. eta vs tors. theta energy: -225.022 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: 8 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2461.275983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.275983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.275983 (E_RNA) where: Base-Base interactions energy: -1686.129 where: short stacking energy: -684.809 Base-Backbone interact. energy: -0.762 local terms energy: -774.385013 where: bonds (distance) C4'-P energy: -158.041 bonds (distance) P-C4' energy: -149.021 flat angles C4'-P-C4' energy: -163.700 flat angles P-C4'-P energy: -122.008 tors. eta vs tors. theta energy: -181.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -2403.472072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.472072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.472072 (E_RNA) where: Base-Base interactions energy: -1619.848 where: short stacking energy: -677.696 Base-Backbone interact. energy: -4.964 local terms energy: -778.659479 where: bonds (distance) C4'-P energy: -132.550 bonds (distance) P-C4' energy: -163.409 flat angles C4'-P-C4' energy: -161.419 flat angles P-C4'-P energy: -101.579 tors. eta vs tors. theta energy: -219.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -2156.833466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.833466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.833466 (E_RNA) where: Base-Base interactions energy: -1419.486 where: short stacking energy: -627.230 Base-Backbone interact. energy: -0.191 local terms energy: -737.156762 where: bonds (distance) C4'-P energy: -149.657 bonds (distance) P-C4' energy: -161.677 flat angles C4'-P-C4' energy: -157.440 flat angles P-C4'-P energy: -106.251 tors. eta vs tors. theta energy: -162.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -2037.524271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.524271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.524271 (E_RNA) where: Base-Base interactions energy: -1337.834 where: short stacking energy: -585.245 Base-Backbone interact. energy: -3.516 local terms energy: -696.173845 where: bonds (distance) C4'-P energy: -151.693 bonds (distance) P-C4' energy: -136.811 flat angles C4'-P-C4' energy: -153.046 flat angles P-C4'-P energy: -103.160 tors. eta vs tors. theta energy: -151.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1444.544311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.544311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.544311 (E_RNA) where: Base-Base interactions energy: -858.270 where: short stacking energy: -420.568 Base-Backbone interact. energy: -0.670 local terms energy: -585.604613 where: bonds (distance) C4'-P energy: -141.774 bonds (distance) P-C4' energy: -154.368 flat angles C4'-P-C4' energy: -139.394 flat angles P-C4'-P energy: -78.169 tors. eta vs tors. theta energy: -71.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1368.101691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.101691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.101691 (E_RNA) where: Base-Base interactions energy: -842.300 where: short stacking energy: -390.725 Base-Backbone interact. energy: 2.462 local terms energy: -528.263524 where: bonds (distance) C4'-P energy: -117.576 bonds (distance) P-C4' energy: -132.874 flat angles C4'-P-C4' energy: -121.149 flat angles P-C4'-P energy: -76.609 tors. eta vs tors. theta energy: -80.056 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: 9, replica: 7 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -788.338273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.338273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.338273 (E_RNA) where: Base-Base interactions energy: -329.353 where: short stacking energy: -220.439 Base-Backbone interact. energy: 6.306 local terms energy: -465.291760 where: bonds (distance) C4'-P energy: -139.189 bonds (distance) P-C4' energy: -141.143 flat angles C4'-P-C4' energy: -127.873 flat angles P-C4'-P energy: -59.879 tors. eta vs tors. theta energy: 2.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -726.760319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.760319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.760319 (E_RNA) where: Base-Base interactions energy: -292.076 where: short stacking energy: -188.731 Base-Backbone interact. energy: -5.425 local terms energy: -429.259838 where: bonds (distance) C4'-P energy: -116.660 bonds (distance) P-C4' energy: -133.629 flat angles C4'-P-C4' energy: -112.413 flat angles P-C4'-P energy: -68.971 tors. eta vs tors. theta energy: 2.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -2671.398406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.398406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.398406 (E_RNA) where: Base-Base interactions energy: -1807.934 where: short stacking energy: -760.164 Base-Backbone interact. energy: -4.146 local terms energy: -859.319035 where: bonds (distance) C4'-P energy: -160.097 bonds (distance) P-C4' energy: -168.485 flat angles C4'-P-C4' energy: -184.421 flat angles P-C4'-P energy: -121.712 tors. eta vs tors. theta energy: -224.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -2605.612041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.612041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.612041 (E_RNA) where: Base-Base interactions energy: -1778.097 where: short stacking energy: -754.367 Base-Backbone interact. energy: -1.876 local terms energy: -825.639209 where: bonds (distance) C4'-P energy: -148.099 bonds (distance) P-C4' energy: -162.389 flat angles C4'-P-C4' energy: -182.725 flat angles P-C4'-P energy: -116.504 tors. eta vs tors. theta energy: -215.923 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: 8 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2477.848507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.848507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.848507 (E_RNA) where: Base-Base interactions energy: -1671.241 where: short stacking energy: -714.038 Base-Backbone interact. energy: -5.920 local terms energy: -800.687016 where: bonds (distance) C4'-P energy: -164.312 bonds (distance) P-C4' energy: -149.352 flat angles C4'-P-C4' energy: -175.350 flat angles P-C4'-P energy: -118.518 tors. eta vs tors. theta energy: -193.155 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: 4 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -2420.181583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.181583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.181583 (E_RNA) where: Base-Base interactions energy: -1638.990 where: short stacking energy: -706.734 Base-Backbone interact. energy: 3.773 local terms energy: -784.964101 where: bonds (distance) C4'-P energy: -145.045 bonds (distance) P-C4' energy: -147.568 flat angles C4'-P-C4' energy: -174.723 flat angles P-C4'-P energy: -114.796 tors. eta vs tors. theta energy: -202.832 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: 5 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -2135.634805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.634805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.634805 (E_RNA) where: Base-Base interactions energy: -1398.278 where: short stacking energy: -654.253 Base-Backbone interact. energy: -2.981 local terms energy: -734.375673 where: bonds (distance) C4'-P energy: -145.897 bonds (distance) P-C4' energy: -158.016 flat angles C4'-P-C4' energy: -154.738 flat angles P-C4'-P energy: -96.632 tors. eta vs tors. theta energy: -179.092 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: 6, replica: 6 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -1984.610440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.610440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.610440 (E_RNA) where: Base-Base interactions energy: -1288.069 where: short stacking energy: -581.997 Base-Backbone interact. energy: 3.091 local terms energy: -699.632485 where: bonds (distance) C4'-P energy: -145.726 bonds (distance) P-C4' energy: -141.420 flat angles C4'-P-C4' energy: -173.670 flat angles P-C4'-P energy: -91.298 tors. eta vs tors. theta energy: -147.518 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: 7, replica: 3 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1402.398548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.398548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.398548 (E_RNA) where: Base-Base interactions energy: -849.061 where: short stacking energy: -408.274 Base-Backbone interact. energy: -1.473 local terms energy: -551.864499 where: bonds (distance) C4'-P energy: -118.362 bonds (distance) P-C4' energy: -155.351 flat angles C4'-P-C4' energy: -131.728 flat angles P-C4'-P energy: -76.161 tors. eta vs tors. theta energy: -70.262 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: 10 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1357.905091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.905091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.905091 (E_RNA) where: Base-Base interactions energy: -849.434 where: short stacking energy: -388.906 Base-Backbone interact. energy: -1.363 local terms energy: -507.107438 where: bonds (distance) C4'-P energy: -125.274 bonds (distance) P-C4' energy: -135.256 flat angles C4'-P-C4' energy: -131.149 flat angles P-C4'-P energy: -66.050 tors. eta vs tors. theta energy: -49.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -809.023745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.023745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.023745 (E_RNA) where: Base-Base interactions energy: -385.729 where: short stacking energy: -247.935 Base-Backbone interact. energy: 0.767 local terms energy: -424.061956 where: bonds (distance) C4'-P energy: -122.285 bonds (distance) P-C4' energy: -145.640 flat angles C4'-P-C4' energy: -96.546 flat angles P-C4'-P energy: -75.050 tors. eta vs tors. theta energy: 15.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -670.409089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.409089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.409089 (E_RNA) where: Base-Base interactions energy: -276.612 where: short stacking energy: -187.993 Base-Backbone interact. energy: 0.375 local terms energy: -394.172463 where: bonds (distance) C4'-P energy: -117.881 bonds (distance) P-C4' energy: -148.094 flat angles C4'-P-C4' energy: -96.267 flat angles P-C4'-P energy: -65.154 tors. eta vs tors. theta energy: 33.223 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: 1, replica: 1 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -2658.417145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.417145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.417145 (E_RNA) where: Base-Base interactions energy: -1810.402 where: short stacking energy: -772.293 Base-Backbone interact. energy: 0.377 local terms energy: -848.392653 where: bonds (distance) C4'-P energy: -158.271 bonds (distance) P-C4' energy: -171.709 flat angles C4'-P-C4' energy: -179.468 flat angles P-C4'-P energy: -114.179 tors. eta vs tors. theta energy: -224.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -2661.278812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.278812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.278812 (E_RNA) where: Base-Base interactions energy: -1815.871 where: short stacking energy: -785.610 Base-Backbone interact. energy: -0.849 local terms energy: -844.558524 where: bonds (distance) C4'-P energy: -158.557 bonds (distance) P-C4' energy: -153.509 flat angles C4'-P-C4' energy: -181.590 flat angles P-C4'-P energy: -129.192 tors. eta vs tors. theta energy: -221.710 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: 3, replica: 8 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -2465.503435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.503435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.503435 (E_RNA) where: Base-Base interactions energy: -1705.096 where: short stacking energy: -716.555 Base-Backbone interact. energy: -1.787 local terms energy: -758.620479 where: bonds (distance) C4'-P energy: -141.235 bonds (distance) P-C4' energy: -158.961 flat angles C4'-P-C4' energy: -171.628 flat angles P-C4'-P energy: -100.768 tors. eta vs tors. theta energy: -186.029 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: 4 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -2396.533582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.533582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.533582 (E_RNA) where: Base-Base interactions energy: -1630.588 where: short stacking energy: -689.374 Base-Backbone interact. energy: -1.108 local terms energy: -764.838300 where: bonds (distance) C4'-P energy: -148.824 bonds (distance) P-C4' energy: -153.932 flat angles C4'-P-C4' energy: -161.022 flat angles P-C4'-P energy: -107.387 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: 5, replica: 5 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -2120.918843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.918843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.918843 (E_RNA) where: Base-Base interactions energy: -1401.554 where: short stacking energy: -596.135 Base-Backbone interact. energy: 1.721 local terms energy: -721.085254 where: bonds (distance) C4'-P energy: -132.751 bonds (distance) P-C4' energy: -151.189 flat angles C4'-P-C4' energy: -158.753 flat angles P-C4'-P energy: -100.858 tors. eta vs tors. theta energy: -177.534 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: 6 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -2031.929863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.929863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.929863 (E_RNA) where: Base-Base interactions energy: -1337.315 where: short stacking energy: -595.873 Base-Backbone interact. energy: -3.557 local terms energy: -691.058235 where: bonds (distance) C4'-P energy: -139.874 bonds (distance) P-C4' energy: -150.148 flat angles C4'-P-C4' energy: -158.168 flat angles P-C4'-P energy: -89.735 tors. eta vs tors. theta energy: -153.133 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: 7, replica: 3 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1471.235864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.235864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.235864 (E_RNA) where: Base-Base interactions energy: -893.833 where: short stacking energy: -404.059 Base-Backbone interact. energy: -1.514 local terms energy: -575.889079 where: bonds (distance) C4'-P energy: -145.179 bonds (distance) P-C4' energy: -139.960 flat angles C4'-P-C4' energy: -140.145 flat angles P-C4'-P energy: -88.915 tors. eta vs tors. theta energy: -61.691 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: 8, replica: 10 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1378.473064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.473064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.473064 (E_RNA) where: Base-Base interactions energy: -825.960 where: short stacking energy: -421.000 Base-Backbone interact. energy: -1.563 local terms energy: -550.949932 where: bonds (distance) C4'-P energy: -130.060 bonds (distance) P-C4' energy: -135.209 flat angles C4'-P-C4' energy: -132.357 flat angles P-C4'-P energy: -86.124 tors. eta vs tors. theta energy: -67.200 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: 9, replica: 7 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -807.459094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.459094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.459094 (E_RNA) where: Base-Base interactions energy: -351.084 where: short stacking energy: -229.206 Base-Backbone interact. energy: -2.982 local terms energy: -453.392392 where: bonds (distance) C4'-P energy: -113.038 bonds (distance) P-C4' energy: -147.516 flat angles C4'-P-C4' energy: -106.735 flat angles P-C4'-P energy: -74.511 tors. eta vs tors. theta energy: -11.592 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: 9 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -699.148716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.148716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.148716 (E_RNA) where: Base-Base interactions energy: -284.678 where: short stacking energy: -192.662 Base-Backbone interact. energy: 1.746 local terms energy: -416.216471 where: bonds (distance) C4'-P energy: -130.096 bonds (distance) P-C4' energy: -151.744 flat angles C4'-P-C4' energy: -98.066 flat angles P-C4'-P energy: -45.474 tors. eta vs tors. theta energy: 9.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -2708.816319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.816319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.816319 (E_RNA) where: Base-Base interactions energy: -1862.204 where: short stacking energy: -814.258 Base-Backbone interact. energy: -2.756 local terms energy: -843.856591 where: bonds (distance) C4'-P energy: -169.103 bonds (distance) P-C4' energy: -150.813 flat angles C4'-P-C4' energy: -179.659 flat angles P-C4'-P energy: -116.416 tors. eta vs tors. theta energy: -227.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -2634.325391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.325391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.325391 (E_RNA) where: Base-Base interactions energy: -1801.333 where: short stacking energy: -782.921 Base-Backbone interact. energy: -1.015 local terms energy: -831.977332 where: bonds (distance) C4'-P energy: -152.531 bonds (distance) P-C4' energy: -164.949 flat angles C4'-P-C4' energy: -183.646 flat angles P-C4'-P energy: -106.699 tors. eta vs tors. theta energy: -224.153 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: 8 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2448.132452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.132452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.132452 (E_RNA) where: Base-Base interactions energy: -1681.237 where: short stacking energy: -706.041 Base-Backbone interact. energy: -2.544 local terms energy: -764.351760 where: bonds (distance) C4'-P energy: -160.975 bonds (distance) P-C4' energy: -147.765 flat angles C4'-P-C4' energy: -162.762 flat angles P-C4'-P energy: -101.363 tors. eta vs tors. theta energy: -191.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -2399.548330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.548330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.548330 (E_RNA) where: Base-Base interactions energy: -1647.237 where: short stacking energy: -685.834 Base-Backbone interact. energy: -3.546 local terms energy: -748.765558 where: bonds (distance) C4'-P energy: -128.708 bonds (distance) P-C4' energy: -161.769 flat angles C4'-P-C4' energy: -156.587 flat angles P-C4'-P energy: -108.002 tors. eta vs tors. theta energy: -193.700 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: 6 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -2093.328529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.328529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.328529 (E_RNA) where: Base-Base interactions energy: -1371.135 where: short stacking energy: -590.762 Base-Backbone interact. energy: 10.342 local terms energy: -732.535260 where: bonds (distance) C4'-P energy: -157.456 bonds (distance) P-C4' energy: -153.807 flat angles C4'-P-C4' energy: -170.247 flat angles P-C4'-P energy: -103.420 tors. eta vs tors. theta energy: -147.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -1981.878363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.878363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.878363 (E_RNA) where: Base-Base interactions energy: -1300.462 where: short stacking energy: -607.237 Base-Backbone interact. energy: -5.712 local terms energy: -675.704327 where: bonds (distance) C4'-P energy: -138.342 bonds (distance) P-C4' energy: -140.786 flat angles C4'-P-C4' energy: -155.177 flat angles P-C4'-P energy: -82.159 tors. eta vs tors. theta energy: -159.240 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: 3 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1444.005235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.005235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.005235 (E_RNA) where: Base-Base interactions energy: -898.222 where: short stacking energy: -403.980 Base-Backbone interact. energy: -0.537 local terms energy: -545.246020 where: bonds (distance) C4'-P energy: -134.590 bonds (distance) P-C4' energy: -154.444 flat angles C4'-P-C4' energy: -140.571 flat angles P-C4'-P energy: -69.694 tors. eta vs tors. theta energy: -45.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1286.161539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.161539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.161539 (E_RNA) where: Base-Base interactions energy: -769.554 where: short stacking energy: -358.260 Base-Backbone interact. energy: 1.937 local terms energy: -518.544080 where: bonds (distance) C4'-P energy: -136.429 bonds (distance) P-C4' energy: -134.879 flat angles C4'-P-C4' energy: -131.670 flat angles P-C4'-P energy: -85.167 tors. eta vs tors. theta energy: -30.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -731.755643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.755643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.755643 (E_RNA) where: Base-Base interactions energy: -320.559 where: short stacking energy: -195.692 Base-Backbone interact. energy: 9.374 local terms energy: -420.570904 where: bonds (distance) C4'-P energy: -125.339 bonds (distance) P-C4' energy: -137.484 flat angles C4'-P-C4' energy: -107.161 flat angles P-C4'-P energy: -69.199 tors. eta vs tors. theta energy: 18.612 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: 9 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -677.796156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.796156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.796156 (E_RNA) where: Base-Base interactions energy: -293.163 where: short stacking energy: -197.541 Base-Backbone interact. energy: -2.515 local terms energy: -382.118846 where: bonds (distance) C4'-P energy: -130.211 bonds (distance) P-C4' energy: -109.532 flat angles C4'-P-C4' energy: -93.797 flat angles P-C4'-P energy: -74.048 tors. eta vs tors. theta energy: 25.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -2723.212900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.212900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.212900 (E_RNA) where: Base-Base interactions energy: -1881.487 where: short stacking energy: -787.548 Base-Backbone interact. energy: 5.241 local terms energy: -846.967058 where: bonds (distance) C4'-P energy: -153.651 bonds (distance) P-C4' energy: -159.910 flat angles C4'-P-C4' energy: -185.846 flat angles P-C4'-P energy: -119.951 tors. eta vs tors. theta energy: -227.610 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: 2, replica: 1 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -2619.386124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.386124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.386124 (E_RNA) where: Base-Base interactions energy: -1776.219 where: short stacking energy: -762.025 Base-Backbone interact. energy: -3.929 local terms energy: -839.238208 where: bonds (distance) C4'-P energy: -145.679 bonds (distance) P-C4' energy: -166.956 flat angles C4'-P-C4' energy: -181.424 flat angles P-C4'-P energy: -118.861 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: 3, replica: 8 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -2429.099358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.099358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.099358 (E_RNA) where: Base-Base interactions energy: -1661.451 where: short stacking energy: -689.118 Base-Backbone interact. energy: 0.050 local terms energy: -767.698815 where: bonds (distance) C4'-P energy: -142.877 bonds (distance) P-C4' energy: -155.926 flat angles C4'-P-C4' energy: -163.757 flat angles P-C4'-P energy: -113.001 tors. eta vs tors. theta energy: -192.137 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: 4 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -2388.249348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.249348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.249348 (E_RNA) where: Base-Base interactions energy: -1650.369 where: short stacking energy: -685.741 Base-Backbone interact. energy: -2.941 local terms energy: -734.939781 where: bonds (distance) C4'-P energy: -141.690 bonds (distance) P-C4' energy: -144.465 flat angles C4'-P-C4' energy: -157.057 flat angles P-C4'-P energy: -100.789 tors. eta vs tors. theta energy: -190.939 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: 5, replica: 6 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -2068.468744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.468744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.468744 (E_RNA) where: Base-Base interactions energy: -1360.230 where: short stacking energy: -583.383 Base-Backbone interact. energy: -0.686 local terms energy: -707.552821 where: bonds (distance) C4'-P energy: -133.194 bonds (distance) P-C4' energy: -152.874 flat angles C4'-P-C4' energy: -158.008 flat angles P-C4'-P energy: -105.815 tors. eta vs tors. theta energy: -157.662 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: 319 Temperature: 1.150000 Total energy: -1887.954073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.954073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.954073 (E_RNA) where: Base-Base interactions energy: -1206.234 where: short stacking energy: -546.064 Base-Backbone interact. energy: 0.164 local terms energy: -681.885013 where: bonds (distance) C4'-P energy: -125.831 bonds (distance) P-C4' energy: -159.487 flat angles C4'-P-C4' energy: -150.361 flat angles P-C4'-P energy: -105.819 tors. eta vs tors. theta energy: -140.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1531.639623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.639623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.639623 (E_RNA) where: Base-Base interactions energy: -951.901 where: short stacking energy: -458.244 Base-Backbone interact. energy: -3.094 local terms energy: -576.645005 where: bonds (distance) C4'-P energy: -116.037 bonds (distance) P-C4' energy: -156.356 flat angles C4'-P-C4' energy: -130.913 flat angles P-C4'-P energy: -75.115 tors. eta vs tors. theta energy: -98.224 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: 10 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1306.149817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.149817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.149817 (E_RNA) where: Base-Base interactions energy: -764.934 where: short stacking energy: -388.540 Base-Backbone interact. energy: 4.120 local terms energy: -545.336224 where: bonds (distance) C4'-P energy: -131.250 bonds (distance) P-C4' energy: -142.034 flat angles C4'-P-C4' energy: -138.725 flat angles P-C4'-P energy: -67.854 tors. eta vs tors. theta energy: -65.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -726.439865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.439865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.439865 (E_RNA) where: Base-Base interactions energy: -301.065 where: short stacking energy: -218.042 Base-Backbone interact. energy: -2.923 local terms energy: -422.451414 where: bonds (distance) C4'-P energy: -126.665 bonds (distance) P-C4' energy: -135.342 flat angles C4'-P-C4' energy: -104.737 flat angles P-C4'-P energy: -79.712 tors. eta vs tors. theta energy: 24.005 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: 9 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -704.784088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.784088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.784088 (E_RNA) where: Base-Base interactions energy: -315.550 where: short stacking energy: -206.231 Base-Backbone interact. energy: 0.265 local terms energy: -389.498990 where: bonds (distance) C4'-P energy: -114.593 bonds (distance) P-C4' energy: -139.652 flat angles C4'-P-C4' energy: -97.777 flat angles P-C4'-P energy: -72.386 tors. eta vs tors. theta energy: 34.909 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: 1, replica: 2 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -2715.771550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.771550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.771550 (E_RNA) where: Base-Base interactions energy: -1864.937 where: short stacking energy: -822.682 Base-Backbone interact. energy: -3.466 local terms energy: -847.368300 where: bonds (distance) C4'-P energy: -171.240 bonds (distance) P-C4' energy: -143.387 flat angles C4'-P-C4' energy: -182.927 flat angles P-C4'-P energy: -118.142 tors. eta vs tors. theta energy: -231.671 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: 1 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -2633.481639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.481639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.481639 (E_RNA) where: Base-Base interactions energy: -1797.150 where: short stacking energy: -752.896 Base-Backbone interact. energy: -2.741 local terms energy: -833.590646 where: bonds (distance) C4'-P energy: -159.513 bonds (distance) P-C4' energy: -151.770 flat angles C4'-P-C4' energy: -182.222 flat angles P-C4'-P energy: -121.487 tors. eta vs tors. theta energy: -218.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2401.783347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.783347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.783347 (E_RNA) where: Base-Base interactions energy: -1653.338 where: short stacking energy: -701.153 Base-Backbone interact. energy: 1.475 local terms energy: -749.920193 where: bonds (distance) C4'-P energy: -135.732 bonds (distance) P-C4' energy: -151.872 flat angles C4'-P-C4' energy: -161.919 flat angles P-C4'-P energy: -103.002 tors. eta vs tors. theta energy: -197.394 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: 320 Temperature: 1.050000 Total energy: -2356.733769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.733769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.733769 (E_RNA) where: Base-Base interactions energy: -1593.951 where: short stacking energy: -667.182 Base-Backbone interact. energy: -3.998 local terms energy: -758.785484 where: bonds (distance) C4'-P energy: -138.585 bonds (distance) P-C4' energy: -147.677 flat angles C4'-P-C4' energy: -169.387 flat angles P-C4'-P energy: -112.890 tors. eta vs tors. theta energy: -190.246 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: 6 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -2160.004205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.004205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.004205 (E_RNA) where: Base-Base interactions energy: -1413.251 where: short stacking energy: -628.636 Base-Backbone interact. energy: 0.532 local terms energy: -747.285355 where: bonds (distance) C4'-P energy: -150.198 bonds (distance) P-C4' energy: -147.407 flat angles C4'-P-C4' energy: -161.156 flat angles P-C4'-P energy: -103.380 tors. eta vs tors. theta energy: -185.144 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: 320 Temperature: 1.150000 Total energy: -1884.576723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.576723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.576723 (E_RNA) where: Base-Base interactions energy: -1227.853 where: short stacking energy: -553.718 Base-Backbone interact. energy: -1.020 local terms energy: -655.702996 where: bonds (distance) C4'-P energy: -121.718 bonds (distance) P-C4' energy: -145.399 flat angles C4'-P-C4' energy: -139.231 flat angles P-C4'-P energy: -103.500 tors. eta vs tors. theta energy: -145.855 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: 3 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1552.280603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.280603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.280603 (E_RNA) where: Base-Base interactions energy: -982.128 where: short stacking energy: -434.519 Base-Backbone interact. energy: -0.087 local terms energy: -570.066039 where: bonds (distance) C4'-P energy: -135.360 bonds (distance) P-C4' energy: -136.260 flat angles C4'-P-C4' energy: -143.727 flat angles P-C4'-P energy: -79.062 tors. eta vs tors. theta energy: -75.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1247.966049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.966049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.966049 (E_RNA) where: Base-Base interactions energy: -754.335 where: short stacking energy: -388.780 Base-Backbone interact. energy: -1.059 local terms energy: -492.572459 where: bonds (distance) C4'-P energy: -113.044 bonds (distance) P-C4' energy: -148.271 flat angles C4'-P-C4' energy: -129.185 flat angles P-C4'-P energy: -64.196 tors. eta vs tors. theta energy: -37.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -762.237914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.237914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.237914 (E_RNA) where: Base-Base interactions energy: -359.365 where: short stacking energy: -256.634 Base-Backbone interact. energy: 0.320 local terms energy: -403.193202 where: bonds (distance) C4'-P energy: -117.030 bonds (distance) P-C4' energy: -120.091 flat angles C4'-P-C4' energy: -112.802 flat angles P-C4'-P energy: -51.299 tors. eta vs tors. theta energy: -1.972 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: 7 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -741.081257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.081257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.081257 (E_RNA) where: Base-Base interactions energy: -310.915 where: short stacking energy: -205.778 Base-Backbone interact. energy: -0.681 local terms energy: -429.485360 where: bonds (distance) C4'-P energy: -124.622 bonds (distance) P-C4' energy: -145.419 flat angles C4'-P-C4' energy: -114.076 flat angles P-C4'-P energy: -80.222 tors. eta vs tors. theta energy: 34.853 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: 1, replica: 2 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -2718.125147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.125147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.125147 (E_RNA) where: Base-Base interactions energy: -1858.913 where: short stacking energy: -787.016 Base-Backbone interact. energy: -4.012 local terms energy: -855.200180 where: bonds (distance) C4'-P energy: -153.249 bonds (distance) P-C4' energy: -166.972 flat angles C4'-P-C4' energy: -173.923 flat angles P-C4'-P energy: -122.988 tors. eta vs tors. theta energy: -238.067 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: 2, replica: 1 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -2626.103027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.103027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.103027 (E_RNA) where: Base-Base interactions energy: -1828.924 where: short stacking energy: -758.947 Base-Backbone interact. energy: -3.919 local terms energy: -793.260126 where: bonds (distance) C4'-P energy: -150.280 bonds (distance) P-C4' energy: -147.877 flat angles C4'-P-C4' energy: -172.416 flat angles P-C4'-P energy: -113.790 tors. eta vs tors. theta energy: -208.897 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: 8 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -2409.590912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.590912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.590912 (E_RNA) where: Base-Base interactions energy: -1643.179 where: short stacking energy: -675.415 Base-Backbone interact. energy: -4.156 local terms energy: -762.255700 where: bonds (distance) C4'-P energy: -139.698 bonds (distance) P-C4' energy: -158.695 flat angles C4'-P-C4' energy: -165.659 flat angles P-C4'-P energy: -109.016 tors. eta vs tors. theta energy: -189.188 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: 4 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -2317.982746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.982746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.982746 (E_RNA) where: Base-Base interactions energy: -1586.792 where: short stacking energy: -674.984 Base-Backbone interact. energy: 0.328 local terms energy: -731.518439 where: bonds (distance) C4'-P energy: -142.852 bonds (distance) P-C4' energy: -147.400 flat angles C4'-P-C4' energy: -152.022 flat angles P-C4'-P energy: -107.479 tors. eta vs tors. theta energy: -181.764 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: 6 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -2204.615866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.615866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.615866 (E_RNA) where: Base-Base interactions energy: -1466.144 where: short stacking energy: -667.135 Base-Backbone interact. energy: -4.237 local terms energy: -734.235496 where: bonds (distance) C4'-P energy: -160.395 bonds (distance) P-C4' energy: -113.717 flat angles C4'-P-C4' energy: -170.162 flat angles P-C4'-P energy: -106.531 tors. eta vs tors. theta energy: -183.430 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: 6, replica: 5 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1949.045661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.045661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.045661 (E_RNA) where: Base-Base interactions energy: -1258.622 where: short stacking energy: -571.061 Base-Backbone interact. energy: -2.487 local terms energy: -687.936684 where: bonds (distance) C4'-P energy: -135.163 bonds (distance) P-C4' energy: -146.066 flat angles C4'-P-C4' energy: -157.276 flat angles P-C4'-P energy: -111.357 tors. eta vs tors. theta energy: -138.075 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: 3 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1564.154377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.154377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.154377 (E_RNA) where: Base-Base interactions energy: -996.302 where: short stacking energy: -462.977 Base-Backbone interact. energy: 3.687 local terms energy: -571.539402 where: bonds (distance) C4'-P energy: -131.264 bonds (distance) P-C4' energy: -151.303 flat angles C4'-P-C4' energy: -131.462 flat angles P-C4'-P energy: -74.369 tors. eta vs tors. theta energy: -83.142 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: 8, replica: 10 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1224.134175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.134175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.134175 (E_RNA) where: Base-Base interactions energy: -715.568 where: short stacking energy: -351.427 Base-Backbone interact. energy: 2.828 local terms energy: -511.394852 where: bonds (distance) C4'-P energy: -134.533 bonds (distance) P-C4' energy: -131.991 flat angles C4'-P-C4' energy: -132.974 flat angles P-C4'-P energy: -75.692 tors. eta vs tors. theta energy: -36.204 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: 9 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -749.595142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.595142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.595142 (E_RNA) where: Base-Base interactions energy: -332.723 where: short stacking energy: -230.966 Base-Backbone interact. energy: 0.904 local terms energy: -417.776666 where: bonds (distance) C4'-P energy: -131.754 bonds (distance) P-C4' energy: -144.608 flat angles C4'-P-C4' energy: -106.863 flat angles P-C4'-P energy: -44.644 tors. eta vs tors. theta energy: 10.093 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: 7 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -719.839169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.839169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.839169 (E_RNA) where: Base-Base interactions energy: -301.589 where: short stacking energy: -205.173 Base-Backbone interact. energy: 1.785 local terms energy: -420.034658 where: bonds (distance) C4'-P energy: -137.467 bonds (distance) P-C4' energy: -127.516 flat angles C4'-P-C4' energy: -103.740 flat angles P-C4'-P energy: -76.958 tors. eta vs tors. theta energy: 25.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -2709.684927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.684927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.684927 (E_RNA) where: Base-Base interactions energy: -1863.954 where: short stacking energy: -802.327 Base-Backbone interact. energy: -3.615 local terms energy: -842.115994 where: bonds (distance) C4'-P energy: -158.349 bonds (distance) P-C4' energy: -158.787 flat angles C4'-P-C4' energy: -176.992 flat angles P-C4'-P energy: -113.196 tors. eta vs tors. theta energy: -234.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -2592.469575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.469575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.469575 (E_RNA) where: Base-Base interactions energy: -1760.258 where: short stacking energy: -737.616 Base-Backbone interact. energy: -5.220 local terms energy: -826.991390 where: bonds (distance) C4'-P energy: -148.906 bonds (distance) P-C4' energy: -150.608 flat angles C4'-P-C4' energy: -179.873 flat angles P-C4'-P energy: -126.007 tors. eta vs tors. theta energy: -221.598 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: 3, replica: 8 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2419.080988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.080988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.080988 (E_RNA) where: Base-Base interactions energy: -1609.899 where: short stacking energy: -645.202 Base-Backbone interact. energy: -10.286 local terms energy: -798.895737 where: bonds (distance) C4'-P energy: -155.388 bonds (distance) P-C4' energy: -155.854 flat angles C4'-P-C4' energy: -165.530 flat angles P-C4'-P energy: -114.126 tors. eta vs tors. theta energy: -207.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -2311.539080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.539080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.539080 (E_RNA) where: Base-Base interactions energy: -1587.993 where: short stacking energy: -690.281 Base-Backbone interact. energy: -3.363 local terms energy: -720.183397 where: bonds (distance) C4'-P energy: -136.435 bonds (distance) P-C4' energy: -143.683 flat angles C4'-P-C4' energy: -159.318 flat angles P-C4'-P energy: -104.000 tors. eta vs tors. theta energy: -176.747 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: 5, replica: 6 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -2137.507445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.507445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.507445 (E_RNA) where: Base-Base interactions energy: -1414.179 where: short stacking energy: -637.540 Base-Backbone interact. energy: -2.320 local terms energy: -721.008335 where: bonds (distance) C4'-P energy: -140.820 bonds (distance) P-C4' energy: -137.174 flat angles C4'-P-C4' energy: -165.359 flat angles P-C4'-P energy: -97.847 tors. eta vs tors. theta energy: -179.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1977.124447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.124447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.124447 (E_RNA) where: Base-Base interactions energy: -1265.258 where: short stacking energy: -603.149 Base-Backbone interact. energy: -1.970 local terms energy: -709.896154 where: bonds (distance) C4'-P energy: -150.205 bonds (distance) P-C4' energy: -150.585 flat angles C4'-P-C4' energy: -152.822 flat angles P-C4'-P energy: -113.342 tors. eta vs tors. theta energy: -142.942 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: 7, replica: 3 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1482.404286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.404286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.404286 (E_RNA) where: Base-Base interactions energy: -895.715 where: short stacking energy: -404.111 Base-Backbone interact. energy: 3.118 local terms energy: -589.807358 where: bonds (distance) C4'-P energy: -146.936 bonds (distance) P-C4' energy: -144.533 flat angles C4'-P-C4' energy: -146.186 flat angles P-C4'-P energy: -80.805 tors. eta vs tors. theta energy: -71.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1167.201295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.201295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.201295 (E_RNA) where: Base-Base interactions energy: -641.291 where: short stacking energy: -316.354 Base-Backbone interact. energy: 0.306 local terms energy: -526.216160 where: bonds (distance) C4'-P energy: -125.686 bonds (distance) P-C4' energy: -147.160 flat angles C4'-P-C4' energy: -134.414 flat angles P-C4'-P energy: -82.933 tors. eta vs tors. theta energy: -36.022 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: 9 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -819.858416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.858416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.858416 (E_RNA) where: Base-Base interactions energy: -366.892 where: short stacking energy: -226.981 Base-Backbone interact. energy: -0.357 local terms energy: -452.609009 where: bonds (distance) C4'-P energy: -121.917 bonds (distance) P-C4' energy: -131.115 flat angles C4'-P-C4' energy: -123.679 flat angles P-C4'-P energy: -75.449 tors. eta vs tors. theta energy: -0.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -692.729707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.729707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.729707 (E_RNA) where: Base-Base interactions energy: -270.491 where: short stacking energy: -185.645 Base-Backbone interact. energy: 5.528 local terms energy: -427.766797 where: bonds (distance) C4'-P energy: -118.655 bonds (distance) P-C4' energy: -138.151 flat angles C4'-P-C4' energy: -124.933 flat angles P-C4'-P energy: -64.997 tors. eta vs tors. theta energy: 18.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -2748.264130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.264130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.264130 (E_RNA) where: Base-Base interactions energy: -1909.608 where: short stacking energy: -815.185 Base-Backbone interact. energy: -2.546 local terms energy: -836.109641 where: bonds (distance) C4'-P energy: -161.642 bonds (distance) P-C4' energy: -148.587 flat angles C4'-P-C4' energy: -178.046 flat angles P-C4'-P energy: -117.895 tors. eta vs tors. theta energy: -229.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -2600.464951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.464951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.464951 (E_RNA) where: Base-Base interactions energy: -1787.210 where: short stacking energy: -707.204 Base-Backbone interact. energy: -1.253 local terms energy: -812.001941 where: bonds (distance) C4'-P energy: -152.736 bonds (distance) P-C4' energy: -169.881 flat angles C4'-P-C4' energy: -180.036 flat angles P-C4'-P energy: -113.026 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: 3, replica: 8 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -2440.563175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.563175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.563175 (E_RNA) where: Base-Base interactions energy: -1694.363 where: short stacking energy: -714.955 Base-Backbone interact. energy: -3.202 local terms energy: -742.997937 where: bonds (distance) C4'-P energy: -138.760 bonds (distance) P-C4' energy: -157.024 flat angles C4'-P-C4' energy: -160.973 flat angles P-C4'-P energy: -103.402 tors. eta vs tors. theta energy: -182.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -2389.956449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.956449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.956449 (E_RNA) where: Base-Base interactions energy: -1612.448 where: short stacking energy: -708.848 Base-Backbone interact. energy: -5.823 local terms energy: -771.685717 where: bonds (distance) C4'-P energy: -119.134 bonds (distance) P-C4' energy: -158.177 flat angles C4'-P-C4' energy: -171.264 flat angles P-C4'-P energy: -115.805 tors. eta vs tors. theta energy: -207.306 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: 5, replica: 6 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -2112.435505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.435505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.435505 (E_RNA) where: Base-Base interactions energy: -1391.350 where: short stacking energy: -614.612 Base-Backbone interact. energy: -2.816 local terms energy: -718.269579 where: bonds (distance) C4'-P energy: -148.485 bonds (distance) P-C4' energy: -141.913 flat angles C4'-P-C4' energy: -168.283 flat angles P-C4'-P energy: -100.428 tors. eta vs tors. theta energy: -159.161 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: 6, replica: 5 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1946.423778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.423778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.423778 (E_RNA) where: Base-Base interactions energy: -1277.822 where: short stacking energy: -600.697 Base-Backbone interact. energy: 6.274 local terms energy: -674.876587 where: bonds (distance) C4'-P energy: -138.537 bonds (distance) P-C4' energy: -138.811 flat angles C4'-P-C4' energy: -146.483 flat angles P-C4'-P energy: -101.097 tors. eta vs tors. theta energy: -149.947 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: 3 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1510.919814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.919814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.919814 (E_RNA) where: Base-Base interactions energy: -930.513 where: short stacking energy: -435.880 Base-Backbone interact. energy: 0.199 local terms energy: -580.606427 where: bonds (distance) C4'-P energy: -132.952 bonds (distance) P-C4' energy: -139.110 flat angles C4'-P-C4' energy: -159.760 flat angles P-C4'-P energy: -88.853 tors. eta vs tors. theta energy: -59.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1290.237779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.237779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.237779 (E_RNA) where: Base-Base interactions energy: -777.654 where: short stacking energy: -369.033 Base-Backbone interact. energy: -2.708 local terms energy: -509.875416 where: bonds (distance) C4'-P energy: -115.706 bonds (distance) P-C4' energy: -148.321 flat angles C4'-P-C4' energy: -122.550 flat angles P-C4'-P energy: -76.547 tors. eta vs tors. theta energy: -46.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -783.876186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.876186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.876186 (E_RNA) where: Base-Base interactions energy: -350.892 where: short stacking energy: -221.413 Base-Backbone interact. energy: 1.782 local terms energy: -434.765508 where: bonds (distance) C4'-P energy: -144.192 bonds (distance) P-C4' energy: -139.507 flat angles C4'-P-C4' energy: -95.355 flat angles P-C4'-P energy: -70.277 tors. eta vs tors. theta energy: 14.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -685.822582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.822582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.822582 (E_RNA) where: Base-Base interactions energy: -336.327 where: short stacking energy: -193.210 Base-Backbone interact. energy: -2.262 local terms energy: -347.233189 where: bonds (distance) C4'-P energy: -125.065 bonds (distance) P-C4' energy: -98.442 flat angles C4'-P-C4' energy: -112.680 flat angles P-C4'-P energy: -51.126 tors. eta vs tors. theta energy: 40.079 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: 2 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -2723.511104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.511104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.511104 (E_RNA) where: Base-Base interactions energy: -1863.657 where: short stacking energy: -816.347 Base-Backbone interact. energy: 0.720 local terms energy: -860.574010 where: bonds (distance) C4'-P energy: -154.119 bonds (distance) P-C4' energy: -151.573 flat angles C4'-P-C4' energy: -188.527 flat angles P-C4'-P energy: -134.610 tors. eta vs tors. theta energy: -231.746 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: 1 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2595.224647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.224647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.224647 (E_RNA) where: Base-Base interactions energy: -1800.276 where: short stacking energy: -768.246 Base-Backbone interact. energy: 2.843 local terms energy: -797.792225 where: bonds (distance) C4'-P energy: -161.582 bonds (distance) P-C4' energy: -152.187 flat angles C4'-P-C4' energy: -161.821 flat angles P-C4'-P energy: -118.308 tors. eta vs tors. theta energy: -203.894 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: 8 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -2422.834455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.834455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.834455 (E_RNA) where: Base-Base interactions energy: -1684.895 where: short stacking energy: -707.245 Base-Backbone interact. energy: 5.901 local terms energy: -743.840354 where: bonds (distance) C4'-P energy: -133.711 bonds (distance) P-C4' energy: -157.865 flat angles C4'-P-C4' energy: -163.654 flat angles P-C4'-P energy: -102.904 tors. eta vs tors. theta energy: -185.707 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: 324 Temperature: 1.050000 Total energy: -2362.265300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.265300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.265300 (E_RNA) where: Base-Base interactions energy: -1615.350 where: short stacking energy: -685.663 Base-Backbone interact. energy: -5.880 local terms energy: -741.036038 where: bonds (distance) C4'-P energy: -141.087 bonds (distance) P-C4' energy: -130.598 flat angles C4'-P-C4' energy: -170.570 flat angles P-C4'-P energy: -101.566 tors. eta vs tors. theta energy: -197.215 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: 324 Temperature: 1.100000 Total energy: -2139.468173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.468173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.468173 (E_RNA) where: Base-Base interactions energy: -1409.399 where: short stacking energy: -646.732 Base-Backbone interact. energy: -0.912 local terms energy: -729.156958 where: bonds (distance) C4'-P energy: -138.973 bonds (distance) P-C4' energy: -162.649 flat angles C4'-P-C4' energy: -155.351 flat angles P-C4'-P energy: -92.476 tors. eta vs tors. theta energy: -179.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -2010.797463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.797463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.797463 (E_RNA) where: Base-Base interactions energy: -1366.078 where: short stacking energy: -585.030 Base-Backbone interact. energy: 2.276 local terms energy: -646.995231 where: bonds (distance) C4'-P energy: -122.154 bonds (distance) P-C4' energy: -129.238 flat angles C4'-P-C4' energy: -140.944 flat angles P-C4'-P energy: -98.795 tors. eta vs tors. theta energy: -155.864 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: 3 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1528.518325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.518325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.518325 (E_RNA) where: Base-Base interactions energy: -954.468 where: short stacking energy: -444.069 Base-Backbone interact. energy: -2.845 local terms energy: -571.204898 where: bonds (distance) C4'-P energy: -138.631 bonds (distance) P-C4' energy: -127.658 flat angles C4'-P-C4' energy: -150.527 flat angles P-C4'-P energy: -76.159 tors. eta vs tors. theta energy: -78.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1313.595072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.595072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.595072 (E_RNA) where: Base-Base interactions energy: -771.182 where: short stacking energy: -367.778 Base-Backbone interact. energy: -1.206 local terms energy: -541.206922 where: bonds (distance) C4'-P energy: -140.562 bonds (distance) P-C4' energy: -154.006 flat angles C4'-P-C4' energy: -113.748 flat angles P-C4'-P energy: -76.883 tors. eta vs tors. theta energy: -56.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -901.073423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.073423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.073423 (E_RNA) where: Base-Base interactions energy: -441.907 where: short stacking energy: -255.225 Base-Backbone interact. energy: 1.822 local terms energy: -460.988805 where: bonds (distance) C4'-P energy: -144.785 bonds (distance) P-C4' energy: -134.264 flat angles C4'-P-C4' energy: -108.601 flat angles P-C4'-P energy: -75.340 tors. eta vs tors. theta energy: 2.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -730.092784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.092784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.092784 (E_RNA) where: Base-Base interactions energy: -329.217 where: short stacking energy: -197.372 Base-Backbone interact. energy: 3.584 local terms energy: -404.459440 where: bonds (distance) C4'-P energy: -123.292 bonds (distance) P-C4' energy: -125.892 flat angles C4'-P-C4' energy: -118.707 flat angles P-C4'-P energy: -70.570 tors. eta vs tors. theta energy: 34.001 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: 1, replica: 2 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -2732.374524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.374524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.374524 (E_RNA) where: Base-Base interactions energy: -1877.736 where: short stacking energy: -827.270 Base-Backbone interact. energy: -3.028 local terms energy: -851.611410 where: bonds (distance) C4'-P energy: -139.746 bonds (distance) P-C4' energy: -159.626 flat angles C4'-P-C4' energy: -183.834 flat angles P-C4'-P energy: -131.634 tors. eta vs tors. theta energy: -236.772 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: 1 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -2582.294655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.294655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.294655 (E_RNA) where: Base-Base interactions energy: -1793.808 where: short stacking energy: -750.874 Base-Backbone interact. energy: -5.373 local terms energy: -783.113445 where: bonds (distance) C4'-P energy: -149.316 bonds (distance) P-C4' energy: -150.916 flat angles C4'-P-C4' energy: -176.157 flat angles P-C4'-P energy: -103.714 tors. eta vs tors. theta energy: -203.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -2485.780747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.780747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.780747 (E_RNA) where: Base-Base interactions energy: -1711.171 where: short stacking energy: -711.370 Base-Backbone interact. energy: 2.885 local terms energy: -777.494594 where: bonds (distance) C4'-P energy: -150.492 bonds (distance) P-C4' energy: -139.987 flat angles C4'-P-C4' energy: -170.636 flat angles P-C4'-P energy: -115.225 tors. eta vs tors. theta energy: -201.155 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: 4 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -2317.312116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.312116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.312116 (E_RNA) where: Base-Base interactions energy: -1573.346 where: short stacking energy: -645.764 Base-Backbone interact. energy: -5.836 local terms energy: -738.130872 where: bonds (distance) C4'-P energy: -149.707 bonds (distance) P-C4' energy: -156.346 flat angles C4'-P-C4' energy: -151.802 flat angles P-C4'-P energy: -107.718 tors. eta vs tors. theta energy: -172.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -2170.236307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.236307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.236307 (E_RNA) where: Base-Base interactions energy: -1431.168 where: short stacking energy: -656.643 Base-Backbone interact. energy: -1.083 local terms energy: -737.985405 where: bonds (distance) C4'-P energy: -136.322 bonds (distance) P-C4' energy: -152.158 flat angles C4'-P-C4' energy: -157.473 flat angles P-C4'-P energy: -105.625 tors. eta vs tors. theta energy: -186.408 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: 6, replica: 5 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -2055.924852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.924852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.924852 (E_RNA) where: Base-Base interactions energy: -1368.096 where: short stacking energy: -628.595 Base-Backbone interact. energy: -2.424 local terms energy: -685.405083 where: bonds (distance) C4'-P energy: -126.166 bonds (distance) P-C4' energy: -150.984 flat angles C4'-P-C4' energy: -159.170 flat angles P-C4'-P energy: -98.812 tors. eta vs tors. theta energy: -150.274 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: 7, replica: 3 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1489.991980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.991980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.991980 (E_RNA) where: Base-Base interactions energy: -913.863 where: short stacking energy: -431.914 Base-Backbone interact. energy: 0.647 local terms energy: -576.776398 where: bonds (distance) C4'-P energy: -143.752 bonds (distance) P-C4' energy: -134.233 flat angles C4'-P-C4' energy: -124.388 flat angles P-C4'-P energy: -85.876 tors. eta vs tors. theta energy: -88.528 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: 8, replica: 10 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1342.297033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.297033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.297033 (E_RNA) where: Base-Base interactions energy: -811.052 where: short stacking energy: -380.744 Base-Backbone interact. energy: 1.315 local terms energy: -532.560076 where: bonds (distance) C4'-P energy: -142.831 bonds (distance) P-C4' energy: -140.684 flat angles C4'-P-C4' energy: -124.020 flat angles P-C4'-P energy: -80.702 tors. eta vs tors. theta energy: -44.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -816.214464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.214464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.214464 (E_RNA) where: Base-Base interactions energy: -393.242 where: short stacking energy: -225.656 Base-Backbone interact. energy: -3.469 local terms energy: -419.503169 where: bonds (distance) C4'-P energy: -134.871 bonds (distance) P-C4' energy: -128.847 flat angles C4'-P-C4' energy: -116.332 flat angles P-C4'-P energy: -58.711 tors. eta vs tors. theta energy: 19.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -746.595018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.595018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.595018 (E_RNA) where: Base-Base interactions energy: -317.689 where: short stacking energy: -227.955 Base-Backbone interact. energy: -2.396 local terms energy: -426.510081 where: bonds (distance) C4'-P energy: -113.438 bonds (distance) P-C4' energy: -149.048 flat angles C4'-P-C4' energy: -92.291 flat angles P-C4'-P energy: -82.271 tors. eta vs tors. theta energy: 10.537 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: 1, replica: 2 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -2709.326912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.326912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.326912 (E_RNA) where: Base-Base interactions energy: -1877.990 where: short stacking energy: -797.569 Base-Backbone interact. energy: 0.104 local terms energy: -831.440962 where: bonds (distance) C4'-P energy: -166.697 bonds (distance) P-C4' energy: -155.879 flat angles C4'-P-C4' energy: -173.764 flat angles P-C4'-P energy: -105.686 tors. eta vs tors. theta energy: -229.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -2591.862589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.862589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.862589 (E_RNA) where: Base-Base interactions energy: -1796.985 where: short stacking energy: -763.785 Base-Backbone interact. energy: -5.544 local terms energy: -789.333212 where: bonds (distance) C4'-P energy: -138.540 bonds (distance) P-C4' energy: -148.964 flat angles C4'-P-C4' energy: -185.019 flat angles P-C4'-P energy: -101.257 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: 3, replica: 8 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -2497.004664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.004664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.004664 (E_RNA) where: Base-Base interactions energy: -1677.390 where: short stacking energy: -715.807 Base-Backbone interact. energy: -5.464 local terms energy: -814.150676 where: bonds (distance) C4'-P energy: -151.592 bonds (distance) P-C4' energy: -161.931 flat angles C4'-P-C4' energy: -169.713 flat angles P-C4'-P energy: -118.309 tors. eta vs tors. theta energy: -212.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -2257.965814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.965814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.965814 (E_RNA) where: Base-Base interactions energy: -1522.237 where: short stacking energy: -661.710 Base-Backbone interact. energy: -0.635 local terms energy: -735.093689 where: bonds (distance) C4'-P energy: -133.097 bonds (distance) P-C4' energy: -145.360 flat angles C4'-P-C4' energy: -166.557 flat angles P-C4'-P energy: -101.811 tors. eta vs tors. theta energy: -188.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -2125.019337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.019337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.019337 (E_RNA) where: Base-Base interactions energy: -1420.215 where: short stacking energy: -628.520 Base-Backbone interact. energy: 0.441 local terms energy: -705.245660 where: bonds (distance) C4'-P energy: -133.411 bonds (distance) P-C4' energy: -137.595 flat angles C4'-P-C4' energy: -159.891 flat angles P-C4'-P energy: -105.028 tors. eta vs tors. theta energy: -169.321 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: 326 Temperature: 1.150000 Total energy: -2035.410282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.410282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.410282 (E_RNA) where: Base-Base interactions energy: -1349.978 where: short stacking energy: -609.095 Base-Backbone interact. energy: -0.014 local terms energy: -685.417520 where: bonds (distance) C4'-P energy: -134.656 bonds (distance) P-C4' energy: -134.379 flat angles C4'-P-C4' energy: -155.351 flat angles P-C4'-P energy: -96.049 tors. eta vs tors. theta energy: -164.983 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: 10 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1461.730201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.730201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.730201 (E_RNA) where: Base-Base interactions energy: -872.402 where: short stacking energy: -440.516 Base-Backbone interact. energy: 1.783 local terms energy: -591.111603 where: bonds (distance) C4'-P energy: -122.942 bonds (distance) P-C4' energy: -167.141 flat angles C4'-P-C4' energy: -142.182 flat angles P-C4'-P energy: -75.712 tors. eta vs tors. theta energy: -83.134 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: 8, replica: 3 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1413.844535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.844535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.844535 (E_RNA) where: Base-Base interactions energy: -868.287 where: short stacking energy: -380.577 Base-Backbone interact. energy: -1.666 local terms energy: -543.891914 where: bonds (distance) C4'-P energy: -129.818 bonds (distance) P-C4' energy: -133.310 flat angles C4'-P-C4' energy: -135.968 flat angles P-C4'-P energy: -80.594 tors. eta vs tors. theta energy: -64.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -843.106143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.106143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.106143 (E_RNA) where: Base-Base interactions energy: -371.129 where: short stacking energy: -219.307 Base-Backbone interact. energy: 5.039 local terms energy: -477.016557 where: bonds (distance) C4'-P energy: -128.462 bonds (distance) P-C4' energy: -149.619 flat angles C4'-P-C4' energy: -130.434 flat angles P-C4'-P energy: -82.512 tors. eta vs tors. theta energy: 14.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -730.680454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.680454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.680454 (E_RNA) where: Base-Base interactions energy: -328.578 where: short stacking energy: -207.411 Base-Backbone interact. energy: 2.707 local terms energy: -404.809747 where: bonds (distance) C4'-P energy: -125.600 bonds (distance) P-C4' energy: -124.483 flat angles C4'-P-C4' energy: -107.229 flat angles P-C4'-P energy: -58.872 tors. eta vs tors. theta energy: 11.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -2724.738517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.738517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.738517 (E_RNA) where: Base-Base interactions energy: -1845.648 where: short stacking energy: -810.257 Base-Backbone interact. energy: -1.904 local terms energy: -877.186053 where: bonds (distance) C4'-P energy: -160.193 bonds (distance) P-C4' energy: -167.853 flat angles C4'-P-C4' energy: -199.898 flat angles P-C4'-P energy: -119.106 tors. eta vs tors. theta energy: -230.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -2642.417522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.417522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.417522 (E_RNA) where: Base-Base interactions energy: -1813.097 where: short stacking energy: -750.284 Base-Backbone interact. energy: -4.894 local terms energy: -824.427189 where: bonds (distance) C4'-P energy: -154.503 bonds (distance) P-C4' energy: -157.342 flat angles C4'-P-C4' energy: -190.427 flat angles P-C4'-P energy: -117.345 tors. eta vs tors. theta energy: -204.810 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: 8 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -2477.123395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.123395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.123395 (E_RNA) where: Base-Base interactions energy: -1678.920 where: short stacking energy: -711.953 Base-Backbone interact. energy: -0.916 local terms energy: -797.286895 where: bonds (distance) C4'-P energy: -141.948 bonds (distance) P-C4' energy: -147.378 flat angles C4'-P-C4' energy: -181.394 flat angles P-C4'-P energy: -122.567 tors. eta vs tors. theta energy: -204.000 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: 4 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -2294.316287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.316287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.316287 (E_RNA) where: Base-Base interactions energy: -1537.804 where: short stacking energy: -633.798 Base-Backbone interact. energy: -3.417 local terms energy: -753.095446 where: bonds (distance) C4'-P energy: -129.698 bonds (distance) P-C4' energy: -157.876 flat angles C4'-P-C4' energy: -166.409 flat angles P-C4'-P energy: -117.747 tors. eta vs tors. theta energy: -181.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -2198.276812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.276812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.276812 (E_RNA) where: Base-Base interactions energy: -1433.389 where: short stacking energy: -650.564 Base-Backbone interact. energy: -2.504 local terms energy: -762.383768 where: bonds (distance) C4'-P energy: -146.769 bonds (distance) P-C4' energy: -150.231 flat angles C4'-P-C4' energy: -173.330 flat angles P-C4'-P energy: -100.640 tors. eta vs tors. theta energy: -191.415 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: 6, replica: 5 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -2112.973511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.973511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.973511 (E_RNA) where: Base-Base interactions energy: -1414.423 where: short stacking energy: -625.175 Base-Backbone interact. energy: 3.449 local terms energy: -702.000051 where: bonds (distance) C4'-P energy: -135.275 bonds (distance) P-C4' energy: -123.105 flat angles C4'-P-C4' energy: -174.046 flat angles P-C4'-P energy: -103.125 tors. eta vs tors. theta energy: -166.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1462.082776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.082776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.082776 (E_RNA) where: Base-Base interactions energy: -873.264 where: short stacking energy: -426.464 Base-Backbone interact. energy: -2.389 local terms energy: -586.430210 where: bonds (distance) C4'-P energy: -138.424 bonds (distance) P-C4' energy: -138.335 flat angles C4'-P-C4' energy: -136.858 flat angles P-C4'-P energy: -87.607 tors. eta vs tors. theta energy: -85.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1351.266089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.266089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.266089 (E_RNA) where: Base-Base interactions energy: -834.849 where: short stacking energy: -377.311 Base-Backbone interact. energy: -3.015 local terms energy: -513.401855 where: bonds (distance) C4'-P energy: -115.416 bonds (distance) P-C4' energy: -134.946 flat angles C4'-P-C4' energy: -125.155 flat angles P-C4'-P energy: -88.218 tors. eta vs tors. theta energy: -49.666 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: 9, replica: 9 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -816.843231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.843231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.843231 (E_RNA) where: Base-Base interactions energy: -389.910 where: short stacking energy: -258.134 Base-Backbone interact. energy: 0.431 local terms energy: -427.364840 where: bonds (distance) C4'-P energy: -129.557 bonds (distance) P-C4' energy: -114.721 flat angles C4'-P-C4' energy: -121.556 flat angles P-C4'-P energy: -75.808 tors. eta vs tors. theta energy: 14.277 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: 7 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -738.053162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.053162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.053162 (E_RNA) where: Base-Base interactions energy: -332.214 where: short stacking energy: -216.508 Base-Backbone interact. energy: 1.972 local terms energy: -407.811564 where: bonds (distance) C4'-P energy: -128.135 bonds (distance) P-C4' energy: -114.282 flat angles C4'-P-C4' energy: -115.882 flat angles P-C4'-P energy: -63.735 tors. eta vs tors. theta energy: 14.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -2736.939197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.939197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.939197 (E_RNA) where: Base-Base interactions energy: -1883.453 where: short stacking energy: -798.925 Base-Backbone interact. energy: 0.555 local terms energy: -854.041445 where: bonds (distance) C4'-P energy: -157.142 bonds (distance) P-C4' energy: -159.577 flat angles C4'-P-C4' energy: -174.780 flat angles P-C4'-P energy: -122.186 tors. eta vs tors. theta energy: -240.357 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: 2, replica: 1 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -2579.068546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.068546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.068546 (E_RNA) where: Base-Base interactions energy: -1770.409 where: short stacking energy: -742.135 Base-Backbone interact. energy: -2.486 local terms energy: -806.173593 where: bonds (distance) C4'-P energy: -145.077 bonds (distance) P-C4' energy: -160.693 flat angles C4'-P-C4' energy: -179.191 flat angles P-C4'-P energy: -107.943 tors. eta vs tors. theta energy: -213.270 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: 8 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2471.926128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.926128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.926128 (E_RNA) where: Base-Base interactions energy: -1706.670 where: short stacking energy: -690.125 Base-Backbone interact. energy: -6.044 local terms energy: -759.212076 where: bonds (distance) C4'-P energy: -172.462 bonds (distance) P-C4' energy: -138.214 flat angles C4'-P-C4' energy: -155.781 flat angles P-C4'-P energy: -103.369 tors. eta vs tors. theta energy: -189.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -2355.527779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.527779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.527779 (E_RNA) where: Base-Base interactions energy: -1585.535 where: short stacking energy: -670.001 Base-Backbone interact. energy: 1.994 local terms energy: -771.985872 where: bonds (distance) C4'-P energy: -158.282 bonds (distance) P-C4' energy: -148.870 flat angles C4'-P-C4' energy: -158.113 flat angles P-C4'-P energy: -116.139 tors. eta vs tors. theta energy: -190.581 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: 5, replica: 5 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -2158.476286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.476286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.476286 (E_RNA) where: Base-Base interactions energy: -1398.977 where: short stacking energy: -618.220 Base-Backbone interact. energy: -0.004 local terms energy: -759.495690 where: bonds (distance) C4'-P energy: -145.930 bonds (distance) P-C4' energy: -131.537 flat angles C4'-P-C4' energy: -169.484 flat angles P-C4'-P energy: -132.725 tors. eta vs tors. theta energy: -179.820 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: 328 Temperature: 1.150000 Total energy: -2063.821888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.821888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.821888 (E_RNA) where: Base-Base interactions energy: -1341.333 where: short stacking energy: -615.056 Base-Backbone interact. energy: -0.326 local terms energy: -722.163493 where: bonds (distance) C4'-P energy: -149.749 bonds (distance) P-C4' energy: -143.483 flat angles C4'-P-C4' energy: -153.774 flat angles P-C4'-P energy: -100.335 tors. eta vs tors. theta energy: -174.822 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: 10 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1498.602671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.602671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.602671 (E_RNA) where: Base-Base interactions energy: -888.879 where: short stacking energy: -413.542 Base-Backbone interact. energy: -5.180 local terms energy: -604.543560 where: bonds (distance) C4'-P energy: -127.503 bonds (distance) P-C4' energy: -141.795 flat angles C4'-P-C4' energy: -138.413 flat angles P-C4'-P energy: -93.491 tors. eta vs tors. theta energy: -103.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1382.594208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.594208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.594208 (E_RNA) where: Base-Base interactions energy: -830.519 where: short stacking energy: -397.440 Base-Backbone interact. energy: 0.545 local terms energy: -552.620067 where: bonds (distance) C4'-P energy: -144.766 bonds (distance) P-C4' energy: -146.157 flat angles C4'-P-C4' energy: -132.910 flat angles P-C4'-P energy: -67.244 tors. eta vs tors. theta energy: -61.543 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: 7 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -797.066462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.066462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.066462 (E_RNA) where: Base-Base interactions energy: -384.957 where: short stacking energy: -238.245 Base-Backbone interact. energy: 1.607 local terms energy: -413.716059 where: bonds (distance) C4'-P energy: -144.697 bonds (distance) P-C4' energy: -136.168 flat angles C4'-P-C4' energy: -95.230 flat angles P-C4'-P energy: -56.579 tors. eta vs tors. theta energy: 18.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -728.618829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.618829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.618829 (E_RNA) where: Base-Base interactions energy: -298.458 where: short stacking energy: -193.586 Base-Backbone interact. energy: -1.937 local terms energy: -428.224068 where: bonds (distance) C4'-P energy: -116.625 bonds (distance) P-C4' energy: -124.606 flat angles C4'-P-C4' energy: -113.724 flat angles P-C4'-P energy: -73.937 tors. eta vs tors. theta energy: 0.668 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: 1, replica: 2 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -2743.330365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.330365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.330365 (E_RNA) where: Base-Base interactions energy: -1907.564 where: short stacking energy: -797.808 Base-Backbone interact. energy: -0.585 local terms energy: -835.181461 where: bonds (distance) C4'-P energy: -162.803 bonds (distance) P-C4' energy: -146.521 flat angles C4'-P-C4' energy: -183.054 flat angles P-C4'-P energy: -114.135 tors. eta vs tors. theta energy: -228.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -2634.575267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.575267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.575267 (E_RNA) where: Base-Base interactions energy: -1795.133 where: short stacking energy: -752.473 Base-Backbone interact. energy: 0.898 local terms energy: -840.340595 where: bonds (distance) C4'-P energy: -175.880 bonds (distance) P-C4' energy: -156.252 flat angles C4'-P-C4' energy: -175.644 flat angles P-C4'-P energy: -114.415 tors. eta vs tors. theta energy: -218.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2410.291248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.291248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.291248 (E_RNA) where: Base-Base interactions energy: -1630.565 where: short stacking energy: -687.943 Base-Backbone interact. energy: -3.370 local terms energy: -776.356504 where: bonds (distance) C4'-P energy: -149.381 bonds (distance) P-C4' energy: -151.922 flat angles C4'-P-C4' energy: -170.050 flat angles P-C4'-P energy: -107.985 tors. eta vs tors. theta energy: -197.019 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: 4, replica: 4 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -2379.280789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.280789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.280789 (E_RNA) where: Base-Base interactions energy: -1618.472 where: short stacking energy: -707.560 Base-Backbone interact. energy: -5.026 local terms energy: -755.782301 where: bonds (distance) C4'-P energy: -126.543 bonds (distance) P-C4' energy: -157.769 flat angles C4'-P-C4' energy: -165.818 flat angles P-C4'-P energy: -118.020 tors. eta vs tors. theta energy: -187.632 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: 5, replica: 5 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -2138.692534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.692534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.692534 (E_RNA) where: Base-Base interactions energy: -1402.633 where: short stacking energy: -647.619 Base-Backbone interact. energy: -0.708 local terms energy: -735.352005 where: bonds (distance) C4'-P energy: -149.721 bonds (distance) P-C4' energy: -142.054 flat angles C4'-P-C4' energy: -157.478 flat angles P-C4'-P energy: -102.535 tors. eta vs tors. theta energy: -183.563 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: 6 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -2052.005810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.005810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.005810 (E_RNA) where: Base-Base interactions energy: -1353.401 where: short stacking energy: -596.394 Base-Backbone interact. energy: -1.118 local terms energy: -697.486905 where: bonds (distance) C4'-P energy: -129.151 bonds (distance) P-C4' energy: -167.281 flat angles C4'-P-C4' energy: -143.359 flat angles P-C4'-P energy: -86.700 tors. eta vs tors. theta energy: -170.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1495.488428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.488428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.488428 (E_RNA) where: Base-Base interactions energy: -936.250 where: short stacking energy: -433.560 Base-Backbone interact. energy: -1.671 local terms energy: -557.567907 where: bonds (distance) C4'-P energy: -132.679 bonds (distance) P-C4' energy: -121.971 flat angles C4'-P-C4' energy: -140.138 flat angles P-C4'-P energy: -83.907 tors. eta vs tors. theta energy: -78.872 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: 8, replica: 3 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1366.500661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.500661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.500661 (E_RNA) where: Base-Base interactions energy: -865.374 where: short stacking energy: -400.781 Base-Backbone interact. energy: 8.121 local terms energy: -509.247774 where: bonds (distance) C4'-P energy: -133.531 bonds (distance) P-C4' energy: -119.930 flat angles C4'-P-C4' energy: -127.187 flat angles P-C4'-P energy: -85.987 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: 9, replica: 7 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -865.970682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.970682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.970682 (E_RNA) where: Base-Base interactions energy: -413.495 where: short stacking energy: -218.729 Base-Backbone interact. energy: -0.592 local terms energy: -451.884029 where: bonds (distance) C4'-P energy: -135.280 bonds (distance) P-C4' energy: -109.320 flat angles C4'-P-C4' energy: -124.138 flat angles P-C4'-P energy: -82.407 tors. eta vs tors. theta energy: -0.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -718.726901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.726901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.726901 (E_RNA) where: Base-Base interactions energy: -343.208 where: short stacking energy: -220.901 Base-Backbone interact. energy: -0.634 local terms energy: -374.884348 where: bonds (distance) C4'-P energy: -92.073 bonds (distance) P-C4' energy: -116.954 flat angles C4'-P-C4' energy: -107.192 flat angles P-C4'-P energy: -68.751 tors. eta vs tors. theta energy: 10.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -2751.082911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.082911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.082911 (E_RNA) where: Base-Base interactions energy: -1889.492 where: short stacking energy: -799.537 Base-Backbone interact. energy: -2.248 local terms energy: -859.343062 where: bonds (distance) C4'-P energy: -152.179 bonds (distance) P-C4' energy: -166.453 flat angles C4'-P-C4' energy: -185.564 flat angles P-C4'-P energy: -113.727 tors. eta vs tors. theta energy: -241.419 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: 1 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -2612.669487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.669487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.669487 (E_RNA) where: Base-Base interactions energy: -1785.210 where: short stacking energy: -744.511 Base-Backbone interact. energy: -4.495 local terms energy: -822.964333 where: bonds (distance) C4'-P energy: -173.684 bonds (distance) P-C4' energy: -158.244 flat angles C4'-P-C4' energy: -175.080 flat angles P-C4'-P energy: -97.732 tors. eta vs tors. theta energy: -218.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2450.848319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.848319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.848319 (E_RNA) where: Base-Base interactions energy: -1671.098 where: short stacking energy: -690.274 Base-Backbone interact. energy: -2.966 local terms energy: -776.784457 where: bonds (distance) C4'-P energy: -152.285 bonds (distance) P-C4' energy: -151.703 flat angles C4'-P-C4' energy: -175.215 flat angles P-C4'-P energy: -104.381 tors. eta vs tors. theta energy: -193.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -2408.514560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.514560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.514560 (E_RNA) where: Base-Base interactions energy: -1653.673 where: short stacking energy: -691.277 Base-Backbone interact. energy: -6.275 local terms energy: -748.566603 where: bonds (distance) C4'-P energy: -124.107 bonds (distance) P-C4' energy: -161.258 flat angles C4'-P-C4' energy: -158.174 flat angles P-C4'-P energy: -104.270 tors. eta vs tors. theta energy: -200.758 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: 5, replica: 5 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -2197.116934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.116934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.116934 (E_RNA) where: Base-Base interactions energy: -1452.681 where: short stacking energy: -662.663 Base-Backbone interact. energy: -2.321 local terms energy: -742.115413 where: bonds (distance) C4'-P energy: -134.784 bonds (distance) P-C4' energy: -144.391 flat angles C4'-P-C4' energy: -160.946 flat angles P-C4'-P energy: -121.292 tors. eta vs tors. theta energy: -180.702 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: 6 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -2042.761084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.761084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.761084 (E_RNA) where: Base-Base interactions energy: -1370.678 where: short stacking energy: -610.083 Base-Backbone interact. energy: -1.476 local terms energy: -670.606441 where: bonds (distance) C4'-P energy: -143.143 bonds (distance) P-C4' energy: -122.778 flat angles C4'-P-C4' energy: -160.531 flat angles P-C4'-P energy: -88.502 tors. eta vs tors. theta energy: -155.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1467.005138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.005138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.005138 (E_RNA) where: Base-Base interactions energy: -898.131 where: short stacking energy: -413.081 Base-Backbone interact. energy: 0.186 local terms energy: -569.059694 where: bonds (distance) C4'-P energy: -135.240 bonds (distance) P-C4' energy: -142.031 flat angles C4'-P-C4' energy: -143.501 flat angles P-C4'-P energy: -73.946 tors. eta vs tors. theta energy: -74.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1386.473564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.473564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.473564 (E_RNA) where: Base-Base interactions energy: -858.264 where: short stacking energy: -380.707 Base-Backbone interact. energy: -0.191 local terms energy: -528.017611 where: bonds (distance) C4'-P energy: -127.888 bonds (distance) P-C4' energy: -132.022 flat angles C4'-P-C4' energy: -122.443 flat angles P-C4'-P energy: -87.776 tors. eta vs tors. theta energy: -57.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -898.459948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.459948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.459948 (E_RNA) where: Base-Base interactions energy: -466.835 where: short stacking energy: -255.313 Base-Backbone interact. energy: -0.331 local terms energy: -431.294317 where: bonds (distance) C4'-P energy: -118.323 bonds (distance) P-C4' energy: -126.210 flat angles C4'-P-C4' energy: -133.056 flat angles P-C4'-P energy: -57.949 tors. eta vs tors. theta energy: 4.244 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: 9 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -673.320449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.320449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.320449 (E_RNA) where: Base-Base interactions energy: -263.875 where: short stacking energy: -191.699 Base-Backbone interact. energy: 3.057 local terms energy: -412.502299 where: bonds (distance) C4'-P energy: -133.052 bonds (distance) P-C4' energy: -128.833 flat angles C4'-P-C4' energy: -119.826 flat angles P-C4'-P energy: -56.630 tors. eta vs tors. theta energy: 25.839 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: 2 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -2789.914684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.914684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.914684 (E_RNA) where: Base-Base interactions energy: -1927.976 where: short stacking energy: -815.677 Base-Backbone interact. energy: 0.572 local terms energy: -862.509847 where: bonds (distance) C4'-P energy: -164.389 bonds (distance) P-C4' energy: -161.985 flat angles C4'-P-C4' energy: -173.184 flat angles P-C4'-P energy: -121.985 tors. eta vs tors. theta energy: -240.967 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: 1 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -2571.709047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.709047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.709047 (E_RNA) where: Base-Base interactions energy: -1777.419 where: short stacking energy: -724.290 Base-Backbone interact. energy: -2.271 local terms energy: -792.019029 where: bonds (distance) C4'-P energy: -150.741 bonds (distance) P-C4' energy: -154.647 flat angles C4'-P-C4' energy: -171.634 flat angles P-C4'-P energy: -115.369 tors. eta vs tors. theta energy: -199.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -2448.745296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.745296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.745296 (E_RNA) where: Base-Base interactions energy: -1654.617 where: short stacking energy: -697.498 Base-Backbone interact. energy: -4.807 local terms energy: -789.321582 where: bonds (distance) C4'-P energy: -136.042 bonds (distance) P-C4' energy: -165.482 flat angles C4'-P-C4' energy: -178.032 flat angles P-C4'-P energy: -111.185 tors. eta vs tors. theta energy: -198.580 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: 331 Temperature: 1.050000 Total energy: -2402.606525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.606525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.606525 (E_RNA) where: Base-Base interactions energy: -1631.398 where: short stacking energy: -698.346 Base-Backbone interact. energy: -7.813 local terms energy: -763.395721 where: bonds (distance) C4'-P energy: -131.795 bonds (distance) P-C4' energy: -164.505 flat angles C4'-P-C4' energy: -156.774 flat angles P-C4'-P energy: -109.278 tors. eta vs tors. theta energy: -201.044 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: 331 Temperature: 1.100000 Total energy: -2160.271655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.271655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.271655 (E_RNA) where: Base-Base interactions energy: -1396.205 where: short stacking energy: -631.951 Base-Backbone interact. energy: 2.854 local terms energy: -766.920624 where: bonds (distance) C4'-P energy: -152.545 bonds (distance) P-C4' energy: -169.609 flat angles C4'-P-C4' energy: -163.402 flat angles P-C4'-P energy: -104.400 tors. eta vs tors. theta energy: -176.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -2037.136246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.136246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.136246 (E_RNA) where: Base-Base interactions energy: -1352.838 where: short stacking energy: -594.016 Base-Backbone interact. energy: -3.412 local terms energy: -680.886056 where: bonds (distance) C4'-P energy: -124.096 bonds (distance) P-C4' energy: -148.838 flat angles C4'-P-C4' energy: -165.936 flat angles P-C4'-P energy: -90.584 tors. eta vs tors. theta energy: -151.431 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: 7, replica: 10 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1548.695531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.695531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.695531 (E_RNA) where: Base-Base interactions energy: -960.352 where: short stacking energy: -446.152 Base-Backbone interact. energy: -1.909 local terms energy: -586.434613 where: bonds (distance) C4'-P energy: -134.509 bonds (distance) P-C4' energy: -139.540 flat angles C4'-P-C4' energy: -111.016 flat angles P-C4'-P energy: -98.355 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: 8, replica: 3 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1384.200002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.200002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.200002 (E_RNA) where: Base-Base interactions energy: -813.124 where: short stacking energy: -402.349 Base-Backbone interact. energy: -2.454 local terms energy: -568.622399 where: bonds (distance) C4'-P energy: -137.898 bonds (distance) P-C4' energy: -148.936 flat angles C4'-P-C4' energy: -138.229 flat angles P-C4'-P energy: -69.279 tors. eta vs tors. theta energy: -74.280 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: 7 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -857.810706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.810706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.810706 (E_RNA) where: Base-Base interactions energy: -428.942 where: short stacking energy: -233.697 Base-Backbone interact. energy: -0.467 local terms energy: -428.401538 where: bonds (distance) C4'-P energy: -128.801 bonds (distance) P-C4' energy: -145.632 flat angles C4'-P-C4' energy: -99.853 flat angles P-C4'-P energy: -70.666 tors. eta vs tors. theta energy: 16.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -715.361098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.361098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.361098 (E_RNA) where: Base-Base interactions energy: -315.187 where: short stacking energy: -206.463 Base-Backbone interact. energy: 2.815 local terms energy: -402.989306 where: bonds (distance) C4'-P energy: -129.048 bonds (distance) P-C4' energy: -144.209 flat angles C4'-P-C4' energy: -92.230 flat angles P-C4'-P energy: -71.035 tors. eta vs tors. theta energy: 33.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -2761.464949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.464949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.464949 (E_RNA) where: Base-Base interactions energy: -1917.618 where: short stacking energy: -833.286 Base-Backbone interact. energy: -1.928 local terms energy: -841.918811 where: bonds (distance) C4'-P energy: -162.811 bonds (distance) P-C4' energy: -154.011 flat angles C4'-P-C4' energy: -178.086 flat angles P-C4'-P energy: -119.275 tors. eta vs tors. theta energy: -227.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -2624.443529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.443529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.443529 (E_RNA) where: Base-Base interactions energy: -1768.402 where: short stacking energy: -711.652 Base-Backbone interact. energy: -1.973 local terms energy: -854.068062 where: bonds (distance) C4'-P energy: -167.281 bonds (distance) P-C4' energy: -173.121 flat angles C4'-P-C4' energy: -181.854 flat angles P-C4'-P energy: -117.115 tors. eta vs tors. theta energy: -214.697 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: 8 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -2437.864296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.864296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.864296 (E_RNA) where: Base-Base interactions energy: -1677.392 where: short stacking energy: -663.536 Base-Backbone interact. energy: -4.017 local terms energy: -756.455330 where: bonds (distance) C4'-P energy: -132.302 bonds (distance) P-C4' energy: -162.619 flat angles C4'-P-C4' energy: -169.225 flat angles P-C4'-P energy: -107.970 tors. eta vs tors. theta energy: -184.339 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: 4, replica: 4 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -2396.505820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.505820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.505820 (E_RNA) where: Base-Base interactions energy: -1632.631 where: short stacking energy: -721.364 Base-Backbone interact. energy: -5.138 local terms energy: -758.736817 where: bonds (distance) C4'-P energy: -147.595 bonds (distance) P-C4' energy: -128.276 flat angles C4'-P-C4' energy: -175.712 flat angles P-C4'-P energy: -104.451 tors. eta vs tors. theta energy: -202.703 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: 5 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -2122.864846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.864846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.864846 (E_RNA) where: Base-Base interactions energy: -1426.557 where: short stacking energy: -653.360 Base-Backbone interact. energy: -2.829 local terms energy: -693.479132 where: bonds (distance) C4'-P energy: -113.913 bonds (distance) P-C4' energy: -143.038 flat angles C4'-P-C4' energy: -166.158 flat angles P-C4'-P energy: -101.882 tors. eta vs tors. theta energy: -168.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -1953.607689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.607689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.607689 (E_RNA) where: Base-Base interactions energy: -1306.109 where: short stacking energy: -555.333 Base-Backbone interact. energy: 5.981 local terms energy: -653.479270 where: bonds (distance) C4'-P energy: -137.811 bonds (distance) P-C4' energy: -142.362 flat angles C4'-P-C4' energy: -146.159 flat angles P-C4'-P energy: -92.434 tors. eta vs tors. theta energy: -134.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1506.013769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.013769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.013769 (E_RNA) where: Base-Base interactions energy: -919.217 where: short stacking energy: -432.710 Base-Backbone interact. energy: 0.242 local terms energy: -587.037837 where: bonds (distance) C4'-P energy: -148.558 bonds (distance) P-C4' energy: -136.035 flat angles C4'-P-C4' energy: -131.982 flat angles P-C4'-P energy: -79.884 tors. eta vs tors. theta energy: -90.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1337.082408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.082408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.082408 (E_RNA) where: Base-Base interactions energy: -811.553 where: short stacking energy: -401.426 Base-Backbone interact. energy: -0.020 local terms energy: -525.508827 where: bonds (distance) C4'-P energy: -121.051 bonds (distance) P-C4' energy: -139.322 flat angles C4'-P-C4' energy: -132.852 flat angles P-C4'-P energy: -70.203 tors. eta vs tors. theta energy: -62.080 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: 9, replica: 7 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -930.749586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.749586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.749586 (E_RNA) where: Base-Base interactions energy: -496.402 where: short stacking energy: -272.256 Base-Backbone interact. energy: 0.148 local terms energy: -434.495369 where: bonds (distance) C4'-P energy: -122.251 bonds (distance) P-C4' energy: -144.593 flat angles C4'-P-C4' energy: -112.366 flat angles P-C4'-P energy: -62.084 tors. eta vs tors. theta energy: 6.798 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: 10, replica: 9 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -707.156501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.156501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.156501 (E_RNA) where: Base-Base interactions energy: -294.197 where: short stacking energy: -220.833 Base-Backbone interact. energy: 1.635 local terms energy: -414.594472 where: bonds (distance) C4'-P energy: -136.514 bonds (distance) P-C4' energy: -129.772 flat angles C4'-P-C4' energy: -100.566 flat angles P-C4'-P energy: -54.323 tors. eta vs tors. theta energy: 6.581 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: 2 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -2749.210172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.210172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.210172 (E_RNA) where: Base-Base interactions energy: -1876.327 where: short stacking energy: -793.938 Base-Backbone interact. energy: -2.299 local terms energy: -870.583905 where: bonds (distance) C4'-P energy: -168.427 bonds (distance) P-C4' energy: -160.861 flat angles C4'-P-C4' energy: -179.051 flat angles P-C4'-P energy: -117.373 tors. eta vs tors. theta energy: -244.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -2619.721535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.721535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.721535 (E_RNA) where: Base-Base interactions energy: -1827.468 where: short stacking energy: -752.415 Base-Backbone interact. energy: -1.099 local terms energy: -791.154077 where: bonds (distance) C4'-P energy: -139.822 bonds (distance) P-C4' energy: -156.441 flat angles C4'-P-C4' energy: -183.208 flat angles P-C4'-P energy: -105.234 tors. eta vs tors. theta energy: -206.449 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: 8 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -2413.801064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.801064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.801064 (E_RNA) where: Base-Base interactions energy: -1627.599 where: short stacking energy: -674.439 Base-Backbone interact. energy: -2.393 local terms energy: -783.808230 where: bonds (distance) C4'-P energy: -125.682 bonds (distance) P-C4' energy: -153.285 flat angles C4'-P-C4' energy: -187.110 flat angles P-C4'-P energy: -122.043 tors. eta vs tors. theta energy: -195.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -2346.044783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.044783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.044783 (E_RNA) where: Base-Base interactions energy: -1598.736 where: short stacking energy: -660.054 Base-Backbone interact. energy: 0.778 local terms energy: -748.086531 where: bonds (distance) C4'-P energy: -151.082 bonds (distance) P-C4' energy: -150.726 flat angles C4'-P-C4' energy: -170.985 flat angles P-C4'-P energy: -96.867 tors. eta vs tors. theta energy: -178.426 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: 5 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -2127.331683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.331683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.331683 (E_RNA) where: Base-Base interactions energy: -1432.025 where: short stacking energy: -626.986 Base-Backbone interact. energy: -0.117 local terms energy: -695.189202 where: bonds (distance) C4'-P energy: -126.051 bonds (distance) P-C4' energy: -149.216 flat angles C4'-P-C4' energy: -165.835 flat angles P-C4'-P energy: -84.514 tors. eta vs tors. theta energy: -169.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -2048.689452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.689452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.689452 (E_RNA) where: Base-Base interactions energy: -1369.997 where: short stacking energy: -593.738 Base-Backbone interact. energy: 0.271 local terms energy: -678.963623 where: bonds (distance) C4'-P energy: -139.544 bonds (distance) P-C4' energy: -137.343 flat angles C4'-P-C4' energy: -157.725 flat angles P-C4'-P energy: -94.390 tors. eta vs tors. theta energy: -149.962 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: 7, replica: 10 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1468.084921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.084921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.084921 (E_RNA) where: Base-Base interactions energy: -887.904 where: short stacking energy: -409.737 Base-Backbone interact. energy: -2.003 local terms energy: -578.178383 where: bonds (distance) C4'-P energy: -137.091 bonds (distance) P-C4' energy: -144.194 flat angles C4'-P-C4' energy: -135.549 flat angles P-C4'-P energy: -82.833 tors. eta vs tors. theta energy: -78.512 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: 3 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1253.822769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.822769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.822769 (E_RNA) where: Base-Base interactions energy: -739.343 where: short stacking energy: -346.274 Base-Backbone interact. energy: 0.918 local terms energy: -515.397267 where: bonds (distance) C4'-P energy: -139.273 bonds (distance) P-C4' energy: -135.332 flat angles C4'-P-C4' energy: -124.703 flat angles P-C4'-P energy: -67.699 tors. eta vs tors. theta energy: -48.390 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: 9, replica: 7 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -973.113944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.113944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.113944 (E_RNA) where: Base-Base interactions energy: -542.124 where: short stacking energy: -289.764 Base-Backbone interact. energy: -1.616 local terms energy: -429.374121 where: bonds (distance) C4'-P energy: -134.319 bonds (distance) P-C4' energy: -110.994 flat angles C4'-P-C4' energy: -142.045 flat angles P-C4'-P energy: -59.557 tors. eta vs tors. theta energy: 17.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -704.911148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.911148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.911148 (E_RNA) where: Base-Base interactions energy: -293.559 where: short stacking energy: -207.379 Base-Backbone interact. energy: 1.399 local terms energy: -412.751718 where: bonds (distance) C4'-P energy: -114.141 bonds (distance) P-C4' energy: -122.902 flat angles C4'-P-C4' energy: -122.364 flat angles P-C4'-P energy: -57.999 tors. eta vs tors. theta energy: 4.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -2761.548089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.548089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.548089 (E_RNA) where: Base-Base interactions energy: -1877.463 where: short stacking energy: -845.476 Base-Backbone interact. energy: -1.971 local terms energy: -882.114278 where: bonds (distance) C4'-P energy: -156.243 bonds (distance) P-C4' energy: -168.310 flat angles C4'-P-C4' energy: -182.757 flat angles P-C4'-P energy: -126.331 tors. eta vs tors. theta energy: -248.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -2611.179561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.179561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.179561 (E_RNA) where: Base-Base interactions energy: -1786.989 where: short stacking energy: -726.422 Base-Backbone interact. energy: -1.530 local terms energy: -822.660784 where: bonds (distance) C4'-P energy: -136.207 bonds (distance) P-C4' energy: -156.592 flat angles C4'-P-C4' energy: -189.908 flat angles P-C4'-P energy: -131.107 tors. eta vs tors. theta energy: -208.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2522.680140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.680140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.680140 (E_RNA) where: Base-Base interactions energy: -1749.493 where: short stacking energy: -731.971 Base-Backbone interact. energy: -2.953 local terms energy: -770.234754 where: bonds (distance) C4'-P energy: -133.553 bonds (distance) P-C4' energy: -144.729 flat angles C4'-P-C4' energy: -172.702 flat angles P-C4'-P energy: -110.588 tors. eta vs tors. theta energy: -208.662 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: 4, replica: 4 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -2359.968555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.968555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.968555 (E_RNA) where: Base-Base interactions energy: -1621.274 where: short stacking energy: -667.521 Base-Backbone interact. energy: -6.456 local terms energy: -732.238885 where: bonds (distance) C4'-P energy: -157.677 bonds (distance) P-C4' energy: -156.704 flat angles C4'-P-C4' energy: -152.185 flat angles P-C4'-P energy: -69.613 tors. eta vs tors. theta energy: -196.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -2159.206607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.206607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.206607 (E_RNA) where: Base-Base interactions energy: -1432.826 where: short stacking energy: -660.448 Base-Backbone interact. energy: -0.726 local terms energy: -725.654610 where: bonds (distance) C4'-P energy: -127.014 bonds (distance) P-C4' energy: -135.448 flat angles C4'-P-C4' energy: -174.189 flat angles P-C4'-P energy: -110.954 tors. eta vs tors. theta energy: -178.050 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: 6, replica: 6 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -2051.970478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.970478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.970478 (E_RNA) where: Base-Base interactions energy: -1391.913 where: short stacking energy: -592.623 Base-Backbone interact. energy: 2.122 local terms energy: -662.178948 where: bonds (distance) C4'-P energy: -126.630 bonds (distance) P-C4' energy: -139.873 flat angles C4'-P-C4' energy: -158.631 flat angles P-C4'-P energy: -76.584 tors. eta vs tors. theta energy: -160.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1485.503145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.503145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.503145 (E_RNA) where: Base-Base interactions energy: -925.513 where: short stacking energy: -426.095 Base-Backbone interact. energy: -0.683 local terms energy: -559.307461 where: bonds (distance) C4'-P energy: -126.218 bonds (distance) P-C4' energy: -145.665 flat angles C4'-P-C4' energy: -118.814 flat angles P-C4'-P energy: -85.940 tors. eta vs tors. theta energy: -82.670 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: 3 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1234.149974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.149974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.149974 (E_RNA) where: Base-Base interactions energy: -767.847 where: short stacking energy: -382.887 Base-Backbone interact. energy: 6.967 local terms energy: -473.269231 where: bonds (distance) C4'-P energy: -128.854 bonds (distance) P-C4' energy: -111.479 flat angles C4'-P-C4' energy: -114.902 flat angles P-C4'-P energy: -62.705 tors. eta vs tors. theta energy: -55.329 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: 9, replica: 7 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -972.619111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.619111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.619111 (E_RNA) where: Base-Base interactions energy: -504.727 where: short stacking energy: -251.875 Base-Backbone interact. energy: 1.627 local terms energy: -469.519664 where: bonds (distance) C4'-P energy: -129.136 bonds (distance) P-C4' energy: -112.752 flat angles C4'-P-C4' energy: -112.871 flat angles P-C4'-P energy: -97.650 tors. eta vs tors. theta energy: -17.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -720.275495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.275495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.275495 (E_RNA) where: Base-Base interactions energy: -267.482 where: short stacking energy: -185.477 Base-Backbone interact. energy: 9.344 local terms energy: -462.137905 where: bonds (distance) C4'-P energy: -148.795 bonds (distance) P-C4' energy: -137.778 flat angles C4'-P-C4' energy: -115.451 flat angles P-C4'-P energy: -65.867 tors. eta vs tors. theta energy: 5.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -2749.279168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.279168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.279168 (E_RNA) where: Base-Base interactions energy: -1906.886 where: short stacking energy: -804.033 Base-Backbone interact. energy: -5.130 local terms energy: -837.262938 where: bonds (distance) C4'-P energy: -151.412 bonds (distance) P-C4' energy: -160.376 flat angles C4'-P-C4' energy: -181.853 flat angles P-C4'-P energy: -116.315 tors. eta vs tors. theta energy: -227.307 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: 1 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2637.528742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.528742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.528742 (E_RNA) where: Base-Base interactions energy: -1802.986 where: short stacking energy: -739.014 Base-Backbone interact. energy: -2.421 local terms energy: -832.122517 where: bonds (distance) C4'-P energy: -162.274 bonds (distance) P-C4' energy: -170.921 flat angles C4'-P-C4' energy: -181.196 flat angles P-C4'-P energy: -110.599 tors. eta vs tors. theta energy: -207.133 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: 3, replica: 8 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2485.742431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.742431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.742431 (E_RNA) where: Base-Base interactions energy: -1715.149 where: short stacking energy: -708.431 Base-Backbone interact. energy: -8.855 local terms energy: -761.738663 where: bonds (distance) C4'-P energy: -139.556 bonds (distance) P-C4' energy: -138.260 flat angles C4'-P-C4' energy: -177.380 flat angles P-C4'-P energy: -103.224 tors. eta vs tors. theta energy: -203.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -2406.756502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.756502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.756502 (E_RNA) where: Base-Base interactions energy: -1652.239 where: short stacking energy: -702.896 Base-Backbone interact. energy: 2.464 local terms energy: -756.981790 where: bonds (distance) C4'-P energy: -148.343 bonds (distance) P-C4' energy: -142.504 flat angles C4'-P-C4' energy: -165.583 flat angles P-C4'-P energy: -100.672 tors. eta vs tors. theta energy: -199.880 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: 5, replica: 5 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -2180.822112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.822112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.822112 (E_RNA) where: Base-Base interactions energy: -1431.600 where: short stacking energy: -635.627 Base-Backbone interact. energy: -0.783 local terms energy: -748.439087 where: bonds (distance) C4'-P energy: -147.179 bonds (distance) P-C4' energy: -135.823 flat angles C4'-P-C4' energy: -155.438 flat angles P-C4'-P energy: -133.314 tors. eta vs tors. theta energy: -176.686 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: 6 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1995.715618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.715618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.715618 (E_RNA) where: Base-Base interactions energy: -1349.170 where: short stacking energy: -569.701 Base-Backbone interact. energy: 1.778 local terms energy: -648.323313 where: bonds (distance) C4'-P energy: -146.345 bonds (distance) P-C4' energy: -130.970 flat angles C4'-P-C4' energy: -132.904 flat angles P-C4'-P energy: -96.951 tors. eta vs tors. theta energy: -141.153 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: 10 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1426.632098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.632098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.632098 (E_RNA) where: Base-Base interactions energy: -842.775 where: short stacking energy: -411.184 Base-Backbone interact. energy: 2.702 local terms energy: -586.558516 where: bonds (distance) C4'-P energy: -122.240 bonds (distance) P-C4' energy: -147.445 flat angles C4'-P-C4' energy: -142.733 flat angles P-C4'-P energy: -88.619 tors. eta vs tors. theta energy: -85.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1243.751524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.751524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.751524 (E_RNA) where: Base-Base interactions energy: -708.751 where: short stacking energy: -332.607 Base-Backbone interact. energy: -2.198 local terms energy: -532.802484 where: bonds (distance) C4'-P energy: -122.710 bonds (distance) P-C4' energy: -135.727 flat angles C4'-P-C4' energy: -122.620 flat angles P-C4'-P energy: -97.803 tors. eta vs tors. theta energy: -53.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -943.963821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.963821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.963821 (E_RNA) where: Base-Base interactions energy: -493.741 where: short stacking energy: -256.127 Base-Backbone interact. energy: 0.491 local terms energy: -450.714190 where: bonds (distance) C4'-P energy: -111.201 bonds (distance) P-C4' energy: -140.204 flat angles C4'-P-C4' energy: -123.419 flat angles P-C4'-P energy: -74.988 tors. eta vs tors. theta energy: -0.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -716.509470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.509470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.509470 (E_RNA) where: Base-Base interactions energy: -319.546 where: short stacking energy: -222.160 Base-Backbone interact. energy: -0.468 local terms energy: -396.495747 where: bonds (distance) C4'-P energy: -135.625 bonds (distance) P-C4' energy: -115.901 flat angles C4'-P-C4' energy: -105.450 flat angles P-C4'-P energy: -38.922 tors. eta vs tors. theta energy: -0.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -2743.623831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.623831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.623831 (E_RNA) where: Base-Base interactions energy: -1863.622 where: short stacking energy: -816.646 Base-Backbone interact. energy: 0.175 local terms energy: -880.176150 where: bonds (distance) C4'-P energy: -159.534 bonds (distance) P-C4' energy: -169.194 flat angles C4'-P-C4' energy: -195.388 flat angles P-C4'-P energy: -121.024 tors. eta vs tors. theta energy: -235.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -2598.360812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.360812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.360812 (E_RNA) where: Base-Base interactions energy: -1783.948 where: short stacking energy: -742.543 Base-Backbone interact. energy: 1.619 local terms energy: -816.032445 where: bonds (distance) C4'-P energy: -155.880 bonds (distance) P-C4' energy: -168.293 flat angles C4'-P-C4' energy: -178.430 flat angles P-C4'-P energy: -107.235 tors. eta vs tors. theta energy: -206.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2452.748880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.748880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.748880 (E_RNA) where: Base-Base interactions energy: -1643.667 where: short stacking energy: -689.228 Base-Backbone interact. energy: -7.836 local terms energy: -801.245914 where: bonds (distance) C4'-P energy: -145.928 bonds (distance) P-C4' energy: -162.107 flat angles C4'-P-C4' energy: -178.012 flat angles P-C4'-P energy: -122.006 tors. eta vs tors. theta energy: -193.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -2391.384214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.384214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.384214 (E_RNA) where: Base-Base interactions energy: -1638.137 where: short stacking energy: -748.385 Base-Backbone interact. energy: -1.068 local terms energy: -752.179029 where: bonds (distance) C4'-P energy: -127.874 bonds (distance) P-C4' energy: -161.545 flat angles C4'-P-C4' energy: -159.322 flat angles P-C4'-P energy: -97.352 tors. eta vs tors. theta energy: -206.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -2139.688152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.688152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.688152 (E_RNA) where: Base-Base interactions energy: -1423.056 where: short stacking energy: -634.021 Base-Backbone interact. energy: -3.293 local terms energy: -713.339045 where: bonds (distance) C4'-P energy: -143.003 bonds (distance) P-C4' energy: -151.104 flat angles C4'-P-C4' energy: -146.582 flat angles P-C4'-P energy: -96.034 tors. eta vs tors. theta energy: -176.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -2033.246227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.246227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.246227 (E_RNA) where: Base-Base interactions energy: -1351.167 where: short stacking energy: -582.255 Base-Backbone interact. energy: -3.051 local terms energy: -679.028167 where: bonds (distance) C4'-P energy: -128.036 bonds (distance) P-C4' energy: -145.120 flat angles C4'-P-C4' energy: -169.098 flat angles P-C4'-P energy: -89.526 tors. eta vs tors. theta energy: -147.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1467.449500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.449500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.449500 (E_RNA) where: Base-Base interactions energy: -916.221 where: short stacking energy: -427.887 Base-Backbone interact. energy: 0.548 local terms energy: -551.776935 where: bonds (distance) C4'-P energy: -125.160 bonds (distance) P-C4' energy: -136.287 flat angles C4'-P-C4' energy: -112.185 flat angles P-C4'-P energy: -105.421 tors. eta vs tors. theta energy: -72.724 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: 8, replica: 3 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1232.803029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.803029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.803029 (E_RNA) where: Base-Base interactions energy: -731.140 where: short stacking energy: -360.717 Base-Backbone interact. energy: -3.156 local terms energy: -498.507191 where: bonds (distance) C4'-P energy: -124.677 bonds (distance) P-C4' energy: -120.632 flat angles C4'-P-C4' energy: -118.275 flat angles P-C4'-P energy: -63.992 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: 9, replica: 7 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -966.117246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.117246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.117246 (E_RNA) where: Base-Base interactions energy: -526.966 where: short stacking energy: -278.024 Base-Backbone interact. energy: -4.850 local terms energy: -434.301431 where: bonds (distance) C4'-P energy: -123.346 bonds (distance) P-C4' energy: -118.486 flat angles C4'-P-C4' energy: -113.559 flat angles P-C4'-P energy: -64.867 tors. eta vs tors. theta energy: -14.044 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: 10, replica: 9 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -719.565719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.565719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.565719 (E_RNA) where: Base-Base interactions energy: -332.423 where: short stacking energy: -193.397 Base-Backbone interact. energy: -5.513 local terms energy: -381.629822 where: bonds (distance) C4'-P energy: -135.467 bonds (distance) P-C4' energy: -98.601 flat angles C4'-P-C4' energy: -89.422 flat angles P-C4'-P energy: -76.339 tors. eta vs tors. theta energy: 18.199 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: 1, replica: 2 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -2772.726885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.726885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.726885 (E_RNA) where: Base-Base interactions energy: -1926.480 where: short stacking energy: -819.059 Base-Backbone interact. energy: 1.301 local terms energy: -847.548264 where: bonds (distance) C4'-P energy: -156.124 bonds (distance) P-C4' energy: -157.548 flat angles C4'-P-C4' energy: -173.002 flat angles P-C4'-P energy: -123.140 tors. eta vs tors. theta energy: -237.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -2599.524422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.524422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.524422 (E_RNA) where: Base-Base interactions energy: -1788.009 where: short stacking energy: -723.074 Base-Backbone interact. energy: -2.883 local terms energy: -808.632523 where: bonds (distance) C4'-P energy: -153.732 bonds (distance) P-C4' energy: -164.654 flat angles C4'-P-C4' energy: -177.418 flat angles P-C4'-P energy: -119.352 tors. eta vs tors. theta energy: -193.475 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: 8 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2493.270211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.270211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.270211 (E_RNA) where: Base-Base interactions energy: -1732.976 where: short stacking energy: -707.066 Base-Backbone interact. energy: -1.923 local terms energy: -758.371555 where: bonds (distance) C4'-P energy: -142.371 bonds (distance) P-C4' energy: -140.407 flat angles C4'-P-C4' energy: -169.659 flat angles P-C4'-P energy: -104.534 tors. eta vs tors. theta energy: -201.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -2352.718004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.718004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.718004 (E_RNA) where: Base-Base interactions energy: -1594.729 where: short stacking energy: -680.658 Base-Backbone interact. energy: -3.035 local terms energy: -754.954802 where: bonds (distance) C4'-P energy: -140.505 bonds (distance) P-C4' energy: -150.139 flat angles C4'-P-C4' energy: -161.776 flat angles P-C4'-P energy: -112.343 tors. eta vs tors. theta energy: -190.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -2153.359921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.359921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.359921 (E_RNA) where: Base-Base interactions energy: -1427.829 where: short stacking energy: -638.190 Base-Backbone interact. energy: -3.395 local terms energy: -722.135771 where: bonds (distance) C4'-P energy: -134.079 bonds (distance) P-C4' energy: -143.498 flat angles C4'-P-C4' energy: -162.908 flat angles P-C4'-P energy: -111.972 tors. eta vs tors. theta energy: -169.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -2041.647108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.647108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.647108 (E_RNA) where: Base-Base interactions energy: -1351.997 where: short stacking energy: -577.663 Base-Backbone interact. energy: 4.083 local terms energy: -693.732728 where: bonds (distance) C4'-P energy: -149.872 bonds (distance) P-C4' energy: -146.669 flat angles C4'-P-C4' energy: -161.089 flat angles P-C4'-P energy: -88.865 tors. eta vs tors. theta energy: -147.239 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: 10 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1464.300963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.300963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.300963 (E_RNA) where: Base-Base interactions energy: -903.036 where: short stacking energy: -444.630 Base-Backbone interact. energy: -0.051 local terms energy: -561.213987 where: bonds (distance) C4'-P energy: -132.628 bonds (distance) P-C4' energy: -115.964 flat angles C4'-P-C4' energy: -124.828 flat angles P-C4'-P energy: -98.498 tors. eta vs tors. theta energy: -89.296 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: 3 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1233.920197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.920197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.920197 (E_RNA) where: Base-Base interactions energy: -712.853 where: short stacking energy: -359.925 Base-Backbone interact. energy: 1.162 local terms energy: -522.228371 where: bonds (distance) C4'-P energy: -121.746 bonds (distance) P-C4' energy: -141.627 flat angles C4'-P-C4' energy: -124.808 flat angles P-C4'-P energy: -76.423 tors. eta vs tors. theta energy: -57.624 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: 9, replica: 7 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -952.985603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.985603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.985603 (E_RNA) where: Base-Base interactions energy: -478.055 where: short stacking energy: -232.276 Base-Backbone interact. energy: -1.551 local terms energy: -473.379657 where: bonds (distance) C4'-P energy: -132.938 bonds (distance) P-C4' energy: -141.278 flat angles C4'-P-C4' energy: -117.387 flat angles P-C4'-P energy: -85.657 tors. eta vs tors. theta energy: 3.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -665.206312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.206312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.206312 (E_RNA) where: Base-Base interactions energy: -267.259 where: short stacking energy: -188.526 Base-Backbone interact. energy: 1.046 local terms energy: -398.992994 where: bonds (distance) C4'-P energy: -128.944 bonds (distance) P-C4' energy: -137.014 flat angles C4'-P-C4' energy: -104.696 flat angles P-C4'-P energy: -66.624 tors. eta vs tors. theta energy: 38.285 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: 2 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -2740.302869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.302869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.302869 (E_RNA) where: Base-Base interactions energy: -1889.600 where: short stacking energy: -785.598 Base-Backbone interact. energy: -1.227 local terms energy: -849.475476 where: bonds (distance) C4'-P energy: -163.518 bonds (distance) P-C4' energy: -171.051 flat angles C4'-P-C4' energy: -171.317 flat angles P-C4'-P energy: -118.165 tors. eta vs tors. theta energy: -225.424 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: 1 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -2602.608993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.608993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.608993 (E_RNA) where: Base-Base interactions energy: -1800.723 where: short stacking energy: -751.715 Base-Backbone interact. energy: -2.822 local terms energy: -799.063915 where: bonds (distance) C4'-P energy: -136.907 bonds (distance) P-C4' energy: -159.824 flat angles C4'-P-C4' energy: -183.767 flat angles P-C4'-P energy: -112.139 tors. eta vs tors. theta energy: -206.427 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: 3, replica: 8 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -2488.685377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.685377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.685377 (E_RNA) where: Base-Base interactions energy: -1692.456 where: short stacking energy: -700.786 Base-Backbone interact. energy: -0.232 local terms energy: -795.996976 where: bonds (distance) C4'-P energy: -144.339 bonds (distance) P-C4' energy: -146.755 flat angles C4'-P-C4' energy: -175.885 flat angles P-C4'-P energy: -125.509 tors. eta vs tors. theta energy: -203.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -2367.055963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.055963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.055963 (E_RNA) where: Base-Base interactions energy: -1611.748 where: short stacking energy: -679.369 Base-Backbone interact. energy: -5.501 local terms energy: -749.807017 where: bonds (distance) C4'-P energy: -140.682 bonds (distance) P-C4' energy: -145.567 flat angles C4'-P-C4' energy: -167.853 flat angles P-C4'-P energy: -99.505 tors. eta vs tors. theta energy: -196.199 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: 5, replica: 5 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -2145.522878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.522878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.522878 (E_RNA) where: Base-Base interactions energy: -1423.760 where: short stacking energy: -658.825 Base-Backbone interact. energy: 2.328 local terms energy: -724.090629 where: bonds (distance) C4'-P energy: -141.251 bonds (distance) P-C4' energy: -143.489 flat angles C4'-P-C4' energy: -149.391 flat angles P-C4'-P energy: -112.691 tors. eta vs tors. theta energy: -177.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -2021.414944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.414944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.414944 (E_RNA) where: Base-Base interactions energy: -1338.860 where: short stacking energy: -564.647 Base-Backbone interact. energy: -1.925 local terms energy: -680.629284 where: bonds (distance) C4'-P energy: -142.450 bonds (distance) P-C4' energy: -137.833 flat angles C4'-P-C4' energy: -158.420 flat angles P-C4'-P energy: -110.834 tors. eta vs tors. theta energy: -131.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1428.380275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.380275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.380275 (E_RNA) where: Base-Base interactions energy: -852.570 where: short stacking energy: -379.306 Base-Backbone interact. energy: 0.639 local terms energy: -576.449475 where: bonds (distance) C4'-P energy: -139.028 bonds (distance) P-C4' energy: -150.152 flat angles C4'-P-C4' energy: -132.858 flat angles P-C4'-P energy: -85.807 tors. eta vs tors. theta energy: -68.605 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: 3 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1267.031645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.031645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.031645 (E_RNA) where: Base-Base interactions energy: -782.821 where: short stacking energy: -364.099 Base-Backbone interact. energy: 1.914 local terms energy: -486.125270 where: bonds (distance) C4'-P energy: -126.378 bonds (distance) P-C4' energy: -133.062 flat angles C4'-P-C4' energy: -119.891 flat angles P-C4'-P energy: -65.871 tors. eta vs tors. theta energy: -40.923 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: 7 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -1007.785476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.785476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.785476 (E_RNA) where: Base-Base interactions energy: -537.648 where: short stacking energy: -289.125 Base-Backbone interact. energy: -2.730 local terms energy: -467.408042 where: bonds (distance) C4'-P energy: -126.892 bonds (distance) P-C4' energy: -133.035 flat angles C4'-P-C4' energy: -122.284 flat angles P-C4'-P energy: -75.560 tors. eta vs tors. theta energy: -9.638 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: 9 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -658.696552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.696552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.696552 (E_RNA) where: Base-Base interactions energy: -253.992 where: short stacking energy: -196.704 Base-Backbone interact. energy: 5.399 local terms energy: -410.104077 where: bonds (distance) C4'-P energy: -144.119 bonds (distance) P-C4' energy: -149.313 flat angles C4'-P-C4' energy: -93.689 flat angles P-C4'-P energy: -52.770 tors. eta vs tors. theta energy: 29.787 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: 2 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -2783.206916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.206916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.206916 (E_RNA) where: Base-Base interactions energy: -1919.378 where: short stacking energy: -817.785 Base-Backbone interact. energy: -4.234 local terms energy: -859.595207 where: bonds (distance) C4'-P energy: -153.531 bonds (distance) P-C4' energy: -168.811 flat angles C4'-P-C4' energy: -191.066 flat angles P-C4'-P energy: -114.875 tors. eta vs tors. theta energy: -231.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -2639.711599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.711599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.711599 (E_RNA) where: Base-Base interactions energy: -1807.589 where: short stacking energy: -766.923 Base-Backbone interact. energy: -5.528 local terms energy: -826.595158 where: bonds (distance) C4'-P energy: -159.339 bonds (distance) P-C4' energy: -152.345 flat angles C4'-P-C4' energy: -184.723 flat angles P-C4'-P energy: -96.959 tors. eta vs tors. theta energy: -233.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2495.852038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.852038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.852038 (E_RNA) where: Base-Base interactions energy: -1695.294 where: short stacking energy: -728.057 Base-Backbone interact. energy: -3.515 local terms energy: -797.043013 where: bonds (distance) C4'-P energy: -147.278 bonds (distance) P-C4' energy: -169.602 flat angles C4'-P-C4' energy: -181.494 flat angles P-C4'-P energy: -107.415 tors. eta vs tors. theta energy: -191.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -2392.351449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.351449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.351449 (E_RNA) where: Base-Base interactions energy: -1629.334 where: short stacking energy: -676.663 Base-Backbone interact. energy: -7.743 local terms energy: -755.274165 where: bonds (distance) C4'-P energy: -148.584 bonds (distance) P-C4' energy: -142.760 flat angles C4'-P-C4' energy: -162.491 flat angles P-C4'-P energy: -107.727 tors. eta vs tors. theta energy: -193.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -2164.873544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.873544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.873544 (E_RNA) where: Base-Base interactions energy: -1432.527 where: short stacking energy: -636.774 Base-Backbone interact. energy: -3.463 local terms energy: -728.883233 where: bonds (distance) C4'-P energy: -138.656 bonds (distance) P-C4' energy: -156.314 flat angles C4'-P-C4' energy: -154.138 flat angles P-C4'-P energy: -96.878 tors. eta vs tors. theta energy: -182.896 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: 6, replica: 6 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -2059.347955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.347955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.347955 (E_RNA) where: Base-Base interactions energy: -1378.168 where: short stacking energy: -589.463 Base-Backbone interact. energy: -3.720 local terms energy: -677.460639 where: bonds (distance) C4'-P energy: -147.392 bonds (distance) P-C4' energy: -135.961 flat angles C4'-P-C4' energy: -153.730 flat angles P-C4'-P energy: -103.128 tors. eta vs tors. theta energy: -137.250 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: 10 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1535.730785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.730785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.730785 (E_RNA) where: Base-Base interactions energy: -1004.991 where: short stacking energy: -447.023 Base-Backbone interact. energy: -2.709 local terms energy: -528.030814 where: bonds (distance) C4'-P energy: -113.350 bonds (distance) P-C4' energy: -113.822 flat angles C4'-P-C4' energy: -128.631 flat angles P-C4'-P energy: -81.796 tors. eta vs tors. theta energy: -90.431 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: 339 Temperature: 1.250000 Total energy: -1265.041659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.041659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.041659 (E_RNA) where: Base-Base interactions energy: -759.000 where: short stacking energy: -350.488 Base-Backbone interact. energy: -2.103 local terms energy: -503.938216 where: bonds (distance) C4'-P energy: -118.744 bonds (distance) P-C4' energy: -136.809 flat angles C4'-P-C4' energy: -129.931 flat angles P-C4'-P energy: -79.680 tors. eta vs tors. theta energy: -38.774 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: 9, replica: 7 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -1041.129998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.129998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.129998 (E_RNA) where: Base-Base interactions energy: -567.663 where: short stacking energy: -303.475 Base-Backbone interact. energy: -3.363 local terms energy: -470.103809 where: bonds (distance) C4'-P energy: -146.331 bonds (distance) P-C4' energy: -129.699 flat angles C4'-P-C4' energy: -125.949 flat angles P-C4'-P energy: -58.879 tors. eta vs tors. theta energy: -9.246 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: 10, replica: 9 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -706.736856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.736856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.736856 (E_RNA) where: Base-Base interactions energy: -300.791 where: short stacking energy: -182.585 Base-Backbone interact. energy: -0.935 local terms energy: -405.011046 where: bonds (distance) C4'-P energy: -116.579 bonds (distance) P-C4' energy: -126.476 flat angles C4'-P-C4' energy: -112.573 flat angles P-C4'-P energy: -74.003 tors. eta vs tors. theta energy: 24.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -2755.133505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.133505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.133505 (E_RNA) where: Base-Base interactions energy: -1890.781 where: short stacking energy: -810.018 Base-Backbone interact. energy: -6.361 local terms energy: -857.991714 where: bonds (distance) C4'-P energy: -162.203 bonds (distance) P-C4' energy: -150.391 flat angles C4'-P-C4' energy: -182.977 flat angles P-C4'-P energy: -120.659 tors. eta vs tors. theta energy: -241.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -2672.490345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.490345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.490345 (E_RNA) where: Base-Base interactions energy: -1859.510 where: short stacking energy: -765.496 Base-Backbone interact. energy: -7.023 local terms energy: -805.956831 where: bonds (distance) C4'-P energy: -158.344 bonds (distance) P-C4' energy: -159.057 flat angles C4'-P-C4' energy: -175.785 flat angles P-C4'-P energy: -105.640 tors. eta vs tors. theta energy: -207.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2466.053230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.053230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.053230 (E_RNA) where: Base-Base interactions energy: -1682.439 where: short stacking energy: -691.431 Base-Backbone interact. energy: -5.807 local terms energy: -777.807393 where: bonds (distance) C4'-P energy: -154.097 bonds (distance) P-C4' energy: -155.077 flat angles C4'-P-C4' energy: -167.137 flat angles P-C4'-P energy: -92.891 tors. eta vs tors. theta energy: -208.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -2340.186983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.186983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.186983 (E_RNA) where: Base-Base interactions energy: -1607.591 where: short stacking energy: -689.023 Base-Backbone interact. energy: -2.292 local terms energy: -730.304311 where: bonds (distance) C4'-P energy: -135.584 bonds (distance) P-C4' energy: -142.025 flat angles C4'-P-C4' energy: -161.804 flat angles P-C4'-P energy: -102.199 tors. eta vs tors. theta energy: -188.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -2195.092130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.092130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.092130 (E_RNA) where: Base-Base interactions energy: -1458.410 where: short stacking energy: -619.138 Base-Backbone interact. energy: -1.759 local terms energy: -734.922787 where: bonds (distance) C4'-P energy: -157.582 bonds (distance) P-C4' energy: -145.774 flat angles C4'-P-C4' energy: -164.683 flat angles P-C4'-P energy: -87.666 tors. eta vs tors. theta energy: -179.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -2059.784555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.784555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.784555 (E_RNA) where: Base-Base interactions energy: -1387.507 where: short stacking energy: -580.055 Base-Backbone interact. energy: -3.718 local terms energy: -668.559297 where: bonds (distance) C4'-P energy: -142.343 bonds (distance) P-C4' energy: -148.858 flat angles C4'-P-C4' energy: -154.325 flat angles P-C4'-P energy: -85.410 tors. eta vs tors. theta energy: -137.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1559.703420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.703420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.703420 (E_RNA) where: Base-Base interactions energy: -988.924 where: short stacking energy: -466.990 Base-Backbone interact. energy: -3.154 local terms energy: -567.625402 where: bonds (distance) C4'-P energy: -110.945 bonds (distance) P-C4' energy: -142.760 flat angles C4'-P-C4' energy: -135.571 flat angles P-C4'-P energy: -92.598 tors. eta vs tors. theta energy: -85.751 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: 8, replica: 3 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1287.960412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.960412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.960412 (E_RNA) where: Base-Base interactions energy: -756.969 where: short stacking energy: -351.172 Base-Backbone interact. energy: 7.517 local terms energy: -538.509148 where: bonds (distance) C4'-P energy: -125.391 bonds (distance) P-C4' energy: -133.331 flat angles C4'-P-C4' energy: -147.861 flat angles P-C4'-P energy: -82.488 tors. eta vs tors. theta energy: -49.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -1062.699979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.699979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.699979 (E_RNA) where: Base-Base interactions energy: -629.563 where: short stacking energy: -294.511 Base-Backbone interact. energy: 0.655 local terms energy: -433.791731 where: bonds (distance) C4'-P energy: -115.011 bonds (distance) P-C4' energy: -113.676 flat angles C4'-P-C4' energy: -112.656 flat angles P-C4'-P energy: -71.241 tors. eta vs tors. theta energy: -21.208 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: 9 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -701.366238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.366238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.366238 (E_RNA) where: Base-Base interactions energy: -327.054 where: short stacking energy: -235.247 Base-Backbone interact. energy: -1.120 local terms energy: -373.192499 where: bonds (distance) C4'-P energy: -121.500 bonds (distance) P-C4' energy: -108.068 flat angles C4'-P-C4' energy: -98.783 flat angles P-C4'-P energy: -54.854 tors. eta vs tors. theta energy: 10.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -2773.387796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.387796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.387796 (E_RNA) where: Base-Base interactions energy: -1908.352 where: short stacking energy: -846.714 Base-Backbone interact. energy: -0.580 local terms energy: -864.455335 where: bonds (distance) C4'-P energy: -155.761 bonds (distance) P-C4' energy: -164.599 flat angles C4'-P-C4' energy: -188.044 flat angles P-C4'-P energy: -115.507 tors. eta vs tors. theta energy: -240.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -2618.899840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.899840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.899840 (E_RNA) where: Base-Base interactions energy: -1774.439 where: short stacking energy: -755.562 Base-Backbone interact. energy: 1.591 local terms energy: -846.051721 where: bonds (distance) C4'-P energy: -152.955 bonds (distance) P-C4' energy: -155.481 flat angles C4'-P-C4' energy: -192.993 flat angles P-C4'-P energy: -108.598 tors. eta vs tors. theta energy: -236.025 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: 3, replica: 8 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2465.694708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.694708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.694708 (E_RNA) where: Base-Base interactions energy: -1670.132 where: short stacking energy: -694.228 Base-Backbone interact. energy: -8.282 local terms energy: -787.280512 where: bonds (distance) C4'-P energy: -141.759 bonds (distance) P-C4' energy: -168.157 flat angles C4'-P-C4' energy: -169.175 flat angles P-C4'-P energy: -106.261 tors. eta vs tors. theta energy: -201.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -2322.290842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.290842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.290842 (E_RNA) where: Base-Base interactions energy: -1564.734 where: short stacking energy: -678.984 Base-Backbone interact. energy: -5.531 local terms energy: -752.026004 where: bonds (distance) C4'-P energy: -154.546 bonds (distance) P-C4' energy: -144.457 flat angles C4'-P-C4' energy: -171.443 flat angles P-C4'-P energy: -109.177 tors. eta vs tors. theta energy: -172.403 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: 341 Temperature: 1.100000 Total energy: -2178.474371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.474371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.474371 (E_RNA) where: Base-Base interactions energy: -1447.899 where: short stacking energy: -644.374 Base-Backbone interact. energy: 0.377 local terms energy: -730.952069 where: bonds (distance) C4'-P energy: -156.003 bonds (distance) P-C4' energy: -142.954 flat angles C4'-P-C4' energy: -152.087 flat angles P-C4'-P energy: -103.214 tors. eta vs tors. theta energy: -176.693 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: 6 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -2092.270909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.270909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.270909 (E_RNA) where: Base-Base interactions energy: -1389.052 where: short stacking energy: -616.931 Base-Backbone interact. energy: -3.274 local terms energy: -699.944374 where: bonds (distance) C4'-P energy: -120.142 bonds (distance) P-C4' energy: -146.832 flat angles C4'-P-C4' energy: -165.983 flat angles P-C4'-P energy: -115.296 tors. eta vs tors. theta energy: -151.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1569.384080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.384080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.384080 (E_RNA) where: Base-Base interactions energy: -1002.186 where: short stacking energy: -446.821 Base-Backbone interact. energy: -0.091 local terms energy: -567.107338 where: bonds (distance) C4'-P energy: -139.248 bonds (distance) P-C4' energy: -127.785 flat angles C4'-P-C4' energy: -136.341 flat angles P-C4'-P energy: -75.843 tors. eta vs tors. theta energy: -87.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1326.948862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.948862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.948862 (E_RNA) where: Base-Base interactions energy: -763.650 where: short stacking energy: -373.725 Base-Backbone interact. energy: 0.616 local terms energy: -563.914319 where: bonds (distance) C4'-P energy: -142.093 bonds (distance) P-C4' energy: -158.779 flat angles C4'-P-C4' energy: -123.314 flat angles P-C4'-P energy: -98.217 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: 9, replica: 7 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -1048.586557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.586557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.586557 (E_RNA) where: Base-Base interactions energy: -610.586 where: short stacking energy: -302.733 Base-Backbone interact. energy: -0.594 local terms energy: -437.407324 where: bonds (distance) C4'-P energy: -119.317 bonds (distance) P-C4' energy: -140.024 flat angles C4'-P-C4' energy: -107.285 flat angles P-C4'-P energy: -48.620 tors. eta vs tors. theta energy: -22.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -681.750502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.750502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.750502 (E_RNA) where: Base-Base interactions energy: -289.609 where: short stacking energy: -188.257 Base-Backbone interact. energy: 3.423 local terms energy: -395.564629 where: bonds (distance) C4'-P energy: -119.534 bonds (distance) P-C4' energy: -120.578 flat angles C4'-P-C4' energy: -107.843 flat angles P-C4'-P energy: -70.639 tors. eta vs tors. theta energy: 23.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -2765.166189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.166189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.166189 (E_RNA) where: Base-Base interactions energy: -1907.984 where: short stacking energy: -786.804 Base-Backbone interact. energy: -7.221 local terms energy: -849.960737 where: bonds (distance) C4'-P energy: -170.386 bonds (distance) P-C4' energy: -172.723 flat angles C4'-P-C4' energy: -178.813 flat angles P-C4'-P energy: -112.110 tors. eta vs tors. theta energy: -215.929 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: 1 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -2641.388515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.388515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.388515 (E_RNA) where: Base-Base interactions energy: -1810.597 where: short stacking energy: -762.756 Base-Backbone interact. energy: -2.956 local terms energy: -827.834662 where: bonds (distance) C4'-P energy: -158.798 bonds (distance) P-C4' energy: -163.131 flat angles C4'-P-C4' energy: -177.432 flat angles P-C4'-P energy: -112.538 tors. eta vs tors. theta energy: -215.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2465.458165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.458165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.458165 (E_RNA) where: Base-Base interactions energy: -1697.299 where: short stacking energy: -735.770 Base-Backbone interact. energy: -3.169 local terms energy: -764.990814 where: bonds (distance) C4'-P energy: -140.946 bonds (distance) P-C4' energy: -149.801 flat angles C4'-P-C4' energy: -173.265 flat angles P-C4'-P energy: -88.518 tors. eta vs tors. theta energy: -212.462 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: 8 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -2321.761276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.761276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.761276 (E_RNA) where: Base-Base interactions energy: -1646.967 where: short stacking energy: -675.580 Base-Backbone interact. energy: -2.945 local terms energy: -671.849147 where: bonds (distance) C4'-P energy: -128.149 bonds (distance) P-C4' energy: -144.527 flat angles C4'-P-C4' energy: -144.531 flat angles P-C4'-P energy: -90.714 tors. eta vs tors. theta energy: -163.928 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: 5, replica: 5 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -2141.868838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.868838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.868838 (E_RNA) where: Base-Base interactions energy: -1412.409 where: short stacking energy: -652.816 Base-Backbone interact. energy: 0.299 local terms energy: -729.758231 where: bonds (distance) C4'-P energy: -141.166 bonds (distance) P-C4' energy: -148.230 flat angles C4'-P-C4' energy: -165.645 flat angles P-C4'-P energy: -107.311 tors. eta vs tors. theta energy: -167.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -2041.234533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.234533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.234533 (E_RNA) where: Base-Base interactions energy: -1331.208 where: short stacking energy: -576.615 Base-Backbone interact. energy: 1.122 local terms energy: -711.148471 where: bonds (distance) C4'-P energy: -142.934 bonds (distance) P-C4' energy: -150.437 flat angles C4'-P-C4' energy: -169.944 flat angles P-C4'-P energy: -95.923 tors. eta vs tors. theta energy: -151.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1490.221184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.221184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.221184 (E_RNA) where: Base-Base interactions energy: -921.144 where: short stacking energy: -413.374 Base-Backbone interact. energy: 0.804 local terms energy: -569.880741 where: bonds (distance) C4'-P energy: -126.482 bonds (distance) P-C4' energy: -132.503 flat angles C4'-P-C4' energy: -148.587 flat angles P-C4'-P energy: -74.975 tors. eta vs tors. theta energy: -87.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1331.672484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.672484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.672484 (E_RNA) where: Base-Base interactions energy: -796.080 where: short stacking energy: -391.815 Base-Backbone interact. energy: -1.772 local terms energy: -533.820577 where: bonds (distance) C4'-P energy: -139.313 bonds (distance) P-C4' energy: -134.252 flat angles C4'-P-C4' energy: -130.820 flat angles P-C4'-P energy: -73.605 tors. eta vs tors. theta energy: -55.830 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: 9, replica: 7 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -1001.623825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.623825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.623825 (E_RNA) where: Base-Base interactions energy: -527.016 where: short stacking energy: -290.771 Base-Backbone interact. energy: -3.686 local terms energy: -470.921724 where: bonds (distance) C4'-P energy: -126.654 bonds (distance) P-C4' energy: -135.492 flat angles C4'-P-C4' energy: -112.862 flat angles P-C4'-P energy: -57.392 tors. eta vs tors. theta energy: -38.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -688.671685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.671685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.671685 (E_RNA) where: Base-Base interactions energy: -283.309 where: short stacking energy: -208.389 Base-Backbone interact. energy: 0.366 local terms energy: -405.729163 where: bonds (distance) C4'-P energy: -114.602 bonds (distance) P-C4' energy: -152.131 flat angles C4'-P-C4' energy: -94.670 flat angles P-C4'-P energy: -58.606 tors. eta vs tors. theta energy: 14.279 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: 1, replica: 2 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -2764.179722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.179722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.179722 (E_RNA) where: Base-Base interactions energy: -1907.407 where: short stacking energy: -816.223 Base-Backbone interact. energy: -3.410 local terms energy: -853.362754 where: bonds (distance) C4'-P energy: -153.684 bonds (distance) P-C4' energy: -156.269 flat angles C4'-P-C4' energy: -195.079 flat angles P-C4'-P energy: -113.940 tors. eta vs tors. theta energy: -234.391 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: 2, replica: 1 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -2681.676166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.676166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.676166 (E_RNA) where: Base-Base interactions energy: -1832.088 where: short stacking energy: -773.571 Base-Backbone interact. energy: 0.313 local terms energy: -849.901590 where: bonds (distance) C4'-P energy: -158.030 bonds (distance) P-C4' energy: -136.219 flat angles C4'-P-C4' energy: -189.574 flat angles P-C4'-P energy: -129.856 tors. eta vs tors. theta energy: -236.224 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: 4 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -2486.736884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.736884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.736884 (E_RNA) where: Base-Base interactions energy: -1704.289 where: short stacking energy: -713.863 Base-Backbone interact. energy: -4.182 local terms energy: -778.265916 where: bonds (distance) C4'-P energy: -144.550 bonds (distance) P-C4' energy: -147.459 flat angles C4'-P-C4' energy: -169.683 flat angles P-C4'-P energy: -112.645 tors. eta vs tors. theta energy: -203.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -2305.995544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.995544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.995544 (E_RNA) where: Base-Base interactions energy: -1558.537 where: short stacking energy: -651.627 Base-Backbone interact. energy: -3.274 local terms energy: -744.184518 where: bonds (distance) C4'-P energy: -143.530 bonds (distance) P-C4' energy: -151.352 flat angles C4'-P-C4' energy: -182.143 flat angles P-C4'-P energy: -96.613 tors. eta vs tors. theta energy: -170.547 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: 5, replica: 5 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -2174.223028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.223028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.223028 (E_RNA) where: Base-Base interactions energy: -1458.918 where: short stacking energy: -644.245 Base-Backbone interact. energy: -2.119 local terms energy: -713.186474 where: bonds (distance) C4'-P energy: -138.016 bonds (distance) P-C4' energy: -132.300 flat angles C4'-P-C4' energy: -168.503 flat angles P-C4'-P energy: -101.541 tors. eta vs tors. theta energy: -172.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -2141.334325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.334325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.334325 (E_RNA) where: Base-Base interactions energy: -1450.977 where: short stacking energy: -621.754 Base-Backbone interact. energy: 3.110 local terms energy: -693.467317 where: bonds (distance) C4'-P energy: -122.931 bonds (distance) P-C4' energy: -140.469 flat angles C4'-P-C4' energy: -154.843 flat angles P-C4'-P energy: -99.311 tors. eta vs tors. theta energy: -175.913 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: 7, replica: 10 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1478.064899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.064899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.064899 (E_RNA) where: Base-Base interactions energy: -932.201 where: short stacking energy: -434.668 Base-Backbone interact. energy: 1.307 local terms energy: -547.170264 where: bonds (distance) C4'-P energy: -122.139 bonds (distance) P-C4' energy: -148.038 flat angles C4'-P-C4' energy: -135.322 flat angles P-C4'-P energy: -70.194 tors. eta vs tors. theta energy: -71.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1330.088241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.088241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.088241 (E_RNA) where: Base-Base interactions energy: -823.635 where: short stacking energy: -386.394 Base-Backbone interact. energy: 0.761 local terms energy: -507.214656 where: bonds (distance) C4'-P energy: -125.012 bonds (distance) P-C4' energy: -146.661 flat angles C4'-P-C4' energy: -123.337 flat angles P-C4'-P energy: -56.556 tors. eta vs tors. theta energy: -55.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -982.468762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.468762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.468762 (E_RNA) where: Base-Base interactions energy: -533.548 where: short stacking energy: -283.908 Base-Backbone interact. energy: 3.397 local terms energy: -452.317804 where: bonds (distance) C4'-P energy: -122.664 bonds (distance) P-C4' energy: -128.888 flat angles C4'-P-C4' energy: -139.763 flat angles P-C4'-P energy: -57.784 tors. eta vs tors. theta energy: -3.218 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: 10, replica: 9 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -686.543674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.543674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.543674 (E_RNA) where: Base-Base interactions energy: -273.433 where: short stacking energy: -188.346 Base-Backbone interact. energy: -0.684 local terms energy: -412.426241 where: bonds (distance) C4'-P energy: -117.786 bonds (distance) P-C4' energy: -160.075 flat angles C4'-P-C4' energy: -94.780 flat angles P-C4'-P energy: -63.272 tors. eta vs tors. theta energy: 23.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -2779.493040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.493040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.493040 (E_RNA) where: Base-Base interactions energy: -1930.584 where: short stacking energy: -801.600 Base-Backbone interact. energy: -6.516 local terms energy: -842.393551 where: bonds (distance) C4'-P energy: -144.486 bonds (distance) P-C4' energy: -144.788 flat angles C4'-P-C4' energy: -188.057 flat angles P-C4'-P energy: -129.279 tors. eta vs tors. theta energy: -235.784 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: 1 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -2628.276351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.276351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.276351 (E_RNA) where: Base-Base interactions energy: -1820.700 where: short stacking energy: -753.818 Base-Backbone interact. energy: -0.140 local terms energy: -807.435667 where: bonds (distance) C4'-P energy: -156.451 bonds (distance) P-C4' energy: -152.397 flat angles C4'-P-C4' energy: -167.655 flat angles P-C4'-P energy: -117.008 tors. eta vs tors. theta energy: -213.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -2525.973901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.973901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.973901 (E_RNA) where: Base-Base interactions energy: -1767.656 where: short stacking energy: -740.182 Base-Backbone interact. energy: 0.237 local terms energy: -758.554949 where: bonds (distance) C4'-P energy: -146.571 bonds (distance) P-C4' energy: -149.528 flat angles C4'-P-C4' energy: -153.240 flat angles P-C4'-P energy: -108.059 tors. eta vs tors. theta energy: -201.157 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: 4, replica: 8 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -2323.253839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.253839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.253839 (E_RNA) where: Base-Base interactions energy: -1588.455 where: short stacking energy: -684.753 Base-Backbone interact. energy: -5.408 local terms energy: -729.390146 where: bonds (distance) C4'-P energy: -127.141 bonds (distance) P-C4' energy: -144.602 flat angles C4'-P-C4' energy: -157.806 flat angles P-C4'-P energy: -110.742 tors. eta vs tors. theta energy: -189.100 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: 5 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -2275.781295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.781295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.781295 (E_RNA) where: Base-Base interactions energy: -1517.503 where: short stacking energy: -694.940 Base-Backbone interact. energy: -2.464 local terms energy: -755.814034 where: bonds (distance) C4'-P energy: -154.575 bonds (distance) P-C4' energy: -137.390 flat angles C4'-P-C4' energy: -164.576 flat angles P-C4'-P energy: -108.587 tors. eta vs tors. theta energy: -190.686 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: 6 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -2109.995522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.995522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.995522 (E_RNA) where: Base-Base interactions energy: -1383.040 where: short stacking energy: -606.088 Base-Backbone interact. energy: 0.335 local terms energy: -727.290068 where: bonds (distance) C4'-P energy: -149.526 bonds (distance) P-C4' energy: -149.113 flat angles C4'-P-C4' energy: -150.603 flat angles P-C4'-P energy: -106.093 tors. eta vs tors. theta energy: -171.955 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: 10 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1445.778499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.778499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.778499 (E_RNA) where: Base-Base interactions energy: -868.590 where: short stacking energy: -426.335 Base-Backbone interact. energy: 3.173 local terms energy: -580.361715 where: bonds (distance) C4'-P energy: -127.199 bonds (distance) P-C4' energy: -150.739 flat angles C4'-P-C4' energy: -141.110 flat angles P-C4'-P energy: -88.215 tors. eta vs tors. theta energy: -73.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1345.996345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.996345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.996345 (E_RNA) where: Base-Base interactions energy: -810.179 where: short stacking energy: -380.156 Base-Backbone interact. energy: 3.907 local terms energy: -539.724980 where: bonds (distance) C4'-P energy: -130.594 bonds (distance) P-C4' energy: -146.769 flat angles C4'-P-C4' energy: -131.851 flat angles P-C4'-P energy: -79.401 tors. eta vs tors. theta energy: -51.109 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: 9, replica: 7 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -944.952131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.952131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.952131 (E_RNA) where: Base-Base interactions energy: -526.847 where: short stacking energy: -254.473 Base-Backbone interact. energy: -3.257 local terms energy: -414.847903 where: bonds (distance) C4'-P energy: -119.356 bonds (distance) P-C4' energy: -111.212 flat angles C4'-P-C4' energy: -111.626 flat angles P-C4'-P energy: -90.636 tors. eta vs tors. theta energy: 17.981 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: 9 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -716.196645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.196645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.196645 (E_RNA) where: Base-Base interactions energy: -298.179 where: short stacking energy: -217.301 Base-Backbone interact. energy: 5.781 local terms energy: -423.799246 where: bonds (distance) C4'-P energy: -137.837 bonds (distance) P-C4' energy: -135.527 flat angles C4'-P-C4' energy: -98.375 flat angles P-C4'-P energy: -64.627 tors. eta vs tors. theta energy: 12.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -2782.811724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.811724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.811724 (E_RNA) where: Base-Base interactions energy: -1928.717 where: short stacking energy: -841.613 Base-Backbone interact. energy: -2.118 local terms energy: -851.976326 where: bonds (distance) C4'-P energy: -153.912 bonds (distance) P-C4' energy: -159.030 flat angles C4'-P-C4' energy: -183.652 flat angles P-C4'-P energy: -120.756 tors. eta vs tors. theta energy: -234.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -2608.407658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.407658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.407658 (E_RNA) where: Base-Base interactions energy: -1789.150 where: short stacking energy: -745.996 Base-Backbone interact. energy: -2.442 local terms energy: -816.815535 where: bonds (distance) C4'-P energy: -144.358 bonds (distance) P-C4' energy: -147.117 flat angles C4'-P-C4' energy: -180.042 flat angles P-C4'-P energy: -134.867 tors. eta vs tors. theta energy: -210.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -2502.160477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.160477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.160477 (E_RNA) where: Base-Base interactions energy: -1690.590 where: short stacking energy: -735.503 Base-Backbone interact. energy: -6.309 local terms energy: -805.261121 where: bonds (distance) C4'-P energy: -159.775 bonds (distance) P-C4' energy: -151.877 flat angles C4'-P-C4' energy: -171.584 flat angles P-C4'-P energy: -117.757 tors. eta vs tors. theta energy: -204.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -2337.825847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.825847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.825847 (E_RNA) where: Base-Base interactions energy: -1599.129 where: short stacking energy: -639.895 Base-Backbone interact. energy: 2.564 local terms energy: -741.260641 where: bonds (distance) C4'-P energy: -132.685 bonds (distance) P-C4' energy: -151.855 flat angles C4'-P-C4' energy: -175.910 flat angles P-C4'-P energy: -94.226 tors. eta vs tors. theta energy: -186.585 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: 345 Temperature: 1.100000 Total energy: -2157.171695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.171695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.171695 (E_RNA) where: Base-Base interactions energy: -1433.823 where: short stacking energy: -646.412 Base-Backbone interact. energy: -3.282 local terms energy: -720.066452 where: bonds (distance) C4'-P energy: -141.158 bonds (distance) P-C4' energy: -137.552 flat angles C4'-P-C4' energy: -149.220 flat angles P-C4'-P energy: -110.274 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: 6, replica: 6 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -2122.477881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.477881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.477881 (E_RNA) where: Base-Base interactions energy: -1367.628 where: short stacking energy: -623.005 Base-Backbone interact. energy: 1.757 local terms energy: -756.606551 where: bonds (distance) C4'-P energy: -147.199 bonds (distance) P-C4' energy: -162.728 flat angles C4'-P-C4' energy: -172.069 flat angles P-C4'-P energy: -105.693 tors. eta vs tors. theta energy: -168.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1403.036794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.036794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.036794 (E_RNA) where: Base-Base interactions energy: -848.731 where: short stacking energy: -404.410 Base-Backbone interact. energy: -4.352 local terms energy: -549.954083 where: bonds (distance) C4'-P energy: -133.386 bonds (distance) P-C4' energy: -133.604 flat angles C4'-P-C4' energy: -145.492 flat angles P-C4'-P energy: -71.960 tors. eta vs tors. theta energy: -65.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1275.653625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.653625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.653625 (E_RNA) where: Base-Base interactions energy: -754.971 where: short stacking energy: -349.099 Base-Backbone interact. energy: 1.053 local terms energy: -521.735087 where: bonds (distance) C4'-P energy: -135.752 bonds (distance) P-C4' energy: -121.507 flat angles C4'-P-C4' energy: -141.919 flat angles P-C4'-P energy: -77.035 tors. eta vs tors. theta energy: -45.522 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: 7 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -963.227993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.227993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.227993 (E_RNA) where: Base-Base interactions energy: -522.239 where: short stacking energy: -233.268 Base-Backbone interact. energy: -2.848 local terms energy: -438.140892 where: bonds (distance) C4'-P energy: -124.979 bonds (distance) P-C4' energy: -142.890 flat angles C4'-P-C4' energy: -109.833 flat angles P-C4'-P energy: -80.526 tors. eta vs tors. theta energy: 20.088 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: 9 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -752.703908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.703908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.703908 (E_RNA) where: Base-Base interactions energy: -326.482 where: short stacking energy: -214.236 Base-Backbone interact. energy: 6.469 local terms energy: -432.690196 where: bonds (distance) C4'-P energy: -115.434 bonds (distance) P-C4' energy: -139.747 flat angles C4'-P-C4' energy: -109.934 flat angles P-C4'-P energy: -75.937 tors. eta vs tors. theta energy: 8.362 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: 2 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -2787.028065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.028065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.028065 (E_RNA) where: Base-Base interactions energy: -1921.887 where: short stacking energy: -820.515 Base-Backbone interact. energy: -2.874 local terms energy: -862.266753 where: bonds (distance) C4'-P energy: -166.190 bonds (distance) P-C4' energy: -162.771 flat angles C4'-P-C4' energy: -159.205 flat angles P-C4'-P energy: -126.777 tors. eta vs tors. theta energy: -247.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -2616.186922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.186922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.186922 (E_RNA) where: Base-Base interactions energy: -1783.032 where: short stacking energy: -732.872 Base-Backbone interact. energy: -2.407 local terms energy: -830.747595 where: bonds (distance) C4'-P energy: -162.496 bonds (distance) P-C4' energy: -150.976 flat angles C4'-P-C4' energy: -174.445 flat angles P-C4'-P energy: -127.204 tors. eta vs tors. theta energy: -215.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -2473.862180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.862180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.862180 (E_RNA) where: Base-Base interactions energy: -1673.538 where: short stacking energy: -709.850 Base-Backbone interact. energy: 1.886 local terms energy: -802.210397 where: bonds (distance) C4'-P energy: -144.863 bonds (distance) P-C4' energy: -166.064 flat angles C4'-P-C4' energy: -177.538 flat angles P-C4'-P energy: -114.119 tors. eta vs tors. theta energy: -199.626 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: 8 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -2366.355913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.355913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.355913 (E_RNA) where: Base-Base interactions energy: -1595.223 where: short stacking energy: -632.227 Base-Backbone interact. energy: -4.440 local terms energy: -766.692880 where: bonds (distance) C4'-P energy: -151.676 bonds (distance) P-C4' energy: -151.056 flat angles C4'-P-C4' energy: -166.668 flat angles P-C4'-P energy: -114.290 tors. eta vs tors. theta energy: -183.003 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: 6 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -2111.247020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.247020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.247020 (E_RNA) where: Base-Base interactions energy: -1393.900 where: short stacking energy: -625.688 Base-Backbone interact. energy: -2.381 local terms energy: -714.966205 where: bonds (distance) C4'-P energy: -123.835 bonds (distance) P-C4' energy: -147.466 flat angles C4'-P-C4' energy: -160.368 flat angles P-C4'-P energy: -121.440 tors. eta vs tors. theta energy: -161.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -2090.622623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.622623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.622623 (E_RNA) where: Base-Base interactions energy: -1393.316 where: short stacking energy: -622.339 Base-Backbone interact. energy: -3.459 local terms energy: -693.848114 where: bonds (distance) C4'-P energy: -140.271 bonds (distance) P-C4' energy: -140.873 flat angles C4'-P-C4' energy: -141.332 flat angles P-C4'-P energy: -98.569 tors. eta vs tors. theta energy: -172.802 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: 7, replica: 10 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1440.600273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.600273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.600273 (E_RNA) where: Base-Base interactions energy: -877.898 where: short stacking energy: -438.330 Base-Backbone interact. energy: 3.198 local terms energy: -565.900308 where: bonds (distance) C4'-P energy: -130.448 bonds (distance) P-C4' energy: -144.892 flat angles C4'-P-C4' energy: -117.884 flat angles P-C4'-P energy: -77.499 tors. eta vs tors. theta energy: -95.177 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: 8, replica: 3 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1296.866014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.866014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.866014 (E_RNA) where: Base-Base interactions energy: -740.054 where: short stacking energy: -368.611 Base-Backbone interact. energy: -4.638 local terms energy: -552.174242 where: bonds (distance) C4'-P energy: -141.221 bonds (distance) P-C4' energy: -158.059 flat angles C4'-P-C4' energy: -119.175 flat angles P-C4'-P energy: -75.048 tors. eta vs tors. theta energy: -58.671 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: 9, replica: 7 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -929.316838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.316838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.316838 (E_RNA) where: Base-Base interactions energy: -483.113 where: short stacking energy: -285.879 Base-Backbone interact. energy: 4.187 local terms energy: -450.390506 where: bonds (distance) C4'-P energy: -132.594 bonds (distance) P-C4' energy: -147.786 flat angles C4'-P-C4' energy: -107.686 flat angles P-C4'-P energy: -60.768 tors. eta vs tors. theta energy: -1.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -746.720350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.720350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.720350 (E_RNA) where: Base-Base interactions energy: -334.507 where: short stacking energy: -219.820 Base-Backbone interact. energy: -2.196 local terms energy: -410.017295 where: bonds (distance) C4'-P energy: -111.817 bonds (distance) P-C4' energy: -124.423 flat angles C4'-P-C4' energy: -119.003 flat angles P-C4'-P energy: -57.829 tors. eta vs tors. theta energy: 3.056 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: 2 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -2790.355306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.355306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.355306 (E_RNA) where: Base-Base interactions energy: -1897.287 where: short stacking energy: -793.132 Base-Backbone interact. energy: -5.927 local terms energy: -887.141217 where: bonds (distance) C4'-P energy: -166.273 bonds (distance) P-C4' energy: -163.429 flat angles C4'-P-C4' energy: -187.349 flat angles P-C4'-P energy: -128.237 tors. eta vs tors. theta energy: -241.853 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: 1 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -2601.220285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.220285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.220285 (E_RNA) where: Base-Base interactions energy: -1770.287 where: short stacking energy: -736.892 Base-Backbone interact. energy: -2.359 local terms energy: -828.574314 where: bonds (distance) C4'-P energy: -144.255 bonds (distance) P-C4' energy: -164.803 flat angles C4'-P-C4' energy: -179.424 flat angles P-C4'-P energy: -112.481 tors. eta vs tors. theta energy: -227.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -2520.996115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.996115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.996115 (E_RNA) where: Base-Base interactions energy: -1709.083 where: short stacking energy: -722.595 Base-Backbone interact. energy: -4.158 local terms energy: -807.754583 where: bonds (distance) C4'-P energy: -158.668 bonds (distance) P-C4' energy: -174.799 flat angles C4'-P-C4' energy: -163.540 flat angles P-C4'-P energy: -104.526 tors. eta vs tors. theta energy: -206.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -2316.949942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.949942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.949942 (E_RNA) where: Base-Base interactions energy: -1574.507 where: short stacking energy: -672.072 Base-Backbone interact. energy: -3.688 local terms energy: -738.754519 where: bonds (distance) C4'-P energy: -136.174 bonds (distance) P-C4' energy: -147.468 flat angles C4'-P-C4' energy: -160.579 flat angles P-C4'-P energy: -103.927 tors. eta vs tors. theta energy: -190.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -2160.018695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.018695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.018695 (E_RNA) where: Base-Base interactions energy: -1426.491 where: short stacking energy: -644.709 Base-Backbone interact. energy: -0.544 local terms energy: -732.983835 where: bonds (distance) C4'-P energy: -145.004 bonds (distance) P-C4' energy: -132.236 flat angles C4'-P-C4' energy: -150.202 flat angles P-C4'-P energy: -113.787 tors. eta vs tors. theta energy: -191.754 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: 6, replica: 5 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -2006.867809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.867809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.867809 (E_RNA) where: Base-Base interactions energy: -1312.898 where: short stacking energy: -590.482 Base-Backbone interact. energy: -2.921 local terms energy: -691.048885 where: bonds (distance) C4'-P energy: -125.754 bonds (distance) P-C4' energy: -158.883 flat angles C4'-P-C4' energy: -157.077 flat angles P-C4'-P energy: -87.415 tors. eta vs tors. theta energy: -161.920 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: 10 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1495.759069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.759069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.759069 (E_RNA) where: Base-Base interactions energy: -920.838 where: short stacking energy: -432.265 Base-Backbone interact. energy: -0.279 local terms energy: -574.641906 where: bonds (distance) C4'-P energy: -151.713 bonds (distance) P-C4' energy: -130.515 flat angles C4'-P-C4' energy: -141.055 flat angles P-C4'-P energy: -84.077 tors. eta vs tors. theta energy: -67.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1254.545043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.545043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.545043 (E_RNA) where: Base-Base interactions energy: -723.329 where: short stacking energy: -354.135 Base-Backbone interact. energy: 0.376 local terms energy: -531.592679 where: bonds (distance) C4'-P energy: -129.126 bonds (distance) P-C4' energy: -126.706 flat angles C4'-P-C4' energy: -128.388 flat angles P-C4'-P energy: -89.162 tors. eta vs tors. theta energy: -58.211 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: 7 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -990.899808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.899808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.899808 (E_RNA) where: Base-Base interactions energy: -511.193 where: short stacking energy: -317.435 Base-Backbone interact. energy: 2.083 local terms energy: -481.790663 where: bonds (distance) C4'-P energy: -133.386 bonds (distance) P-C4' energy: -144.969 flat angles C4'-P-C4' energy: -119.934 flat angles P-C4'-P energy: -61.058 tors. eta vs tors. theta energy: -22.444 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: 9 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -691.508385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.508385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.508385 (E_RNA) where: Base-Base interactions energy: -283.171 where: short stacking energy: -206.512 Base-Backbone interact. energy: 3.410 local terms energy: -411.747653 where: bonds (distance) C4'-P energy: -123.216 bonds (distance) P-C4' energy: -120.640 flat angles C4'-P-C4' energy: -128.717 flat angles P-C4'-P energy: -52.558 tors. eta vs tors. theta energy: 13.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -2770.285050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.285050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.285050 (E_RNA) where: Base-Base interactions energy: -1907.878 where: short stacking energy: -815.638 Base-Backbone interact. energy: -1.543 local terms energy: -860.864638 where: bonds (distance) C4'-P energy: -155.067 bonds (distance) P-C4' energy: -165.214 flat angles C4'-P-C4' energy: -180.524 flat angles P-C4'-P energy: -113.876 tors. eta vs tors. theta energy: -246.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2626.695531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.695531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.695531 (E_RNA) where: Base-Base interactions energy: -1819.262 where: short stacking energy: -753.539 Base-Backbone interact. energy: -0.137 local terms energy: -807.296967 where: bonds (distance) C4'-P energy: -148.718 bonds (distance) P-C4' energy: -160.358 flat angles C4'-P-C4' energy: -171.700 flat angles P-C4'-P energy: -110.744 tors. eta vs tors. theta energy: -215.777 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: 4 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2493.620394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.620394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.620394 (E_RNA) where: Base-Base interactions energy: -1676.213 where: short stacking energy: -741.655 Base-Backbone interact. energy: -8.093 local terms energy: -809.314749 where: bonds (distance) C4'-P energy: -157.026 bonds (distance) P-C4' energy: -160.335 flat angles C4'-P-C4' energy: -166.312 flat angles P-C4'-P energy: -113.934 tors. eta vs tors. theta energy: -211.708 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: 8 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -2281.182397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.182397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.182397 (E_RNA) where: Base-Base interactions energy: -1536.440 where: short stacking energy: -662.340 Base-Backbone interact. energy: -4.053 local terms energy: -740.689242 where: bonds (distance) C4'-P energy: -137.359 bonds (distance) P-C4' energy: -147.940 flat angles C4'-P-C4' energy: -153.667 flat angles P-C4'-P energy: -117.132 tors. eta vs tors. theta energy: -184.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -2128.550834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.550834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.550834 (E_RNA) where: Base-Base interactions energy: -1389.244 where: short stacking energy: -601.208 Base-Backbone interact. energy: 0.288 local terms energy: -739.595520 where: bonds (distance) C4'-P energy: -135.293 bonds (distance) P-C4' energy: -160.146 flat angles C4'-P-C4' energy: -173.170 flat angles P-C4'-P energy: -106.815 tors. eta vs tors. theta energy: -164.172 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: 6, replica: 5 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -1917.976117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.976117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.976117 (E_RNA) where: Base-Base interactions energy: -1247.354 where: short stacking energy: -557.776 Base-Backbone interact. energy: -4.277 local terms energy: -666.345384 where: bonds (distance) C4'-P energy: -155.895 bonds (distance) P-C4' energy: -148.365 flat angles C4'-P-C4' energy: -147.573 flat angles P-C4'-P energy: -76.702 tors. eta vs tors. theta energy: -137.810 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: 10 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1507.483992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.483992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.483992 (E_RNA) where: Base-Base interactions energy: -903.224 where: short stacking energy: -412.764 Base-Backbone interact. energy: -2.364 local terms energy: -601.896203 where: bonds (distance) C4'-P energy: -142.218 bonds (distance) P-C4' energy: -154.456 flat angles C4'-P-C4' energy: -127.041 flat angles P-C4'-P energy: -86.043 tors. eta vs tors. theta energy: -92.139 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: 8, replica: 3 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1253.467034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.467034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.467034 (E_RNA) where: Base-Base interactions energy: -737.958 where: short stacking energy: -362.235 Base-Backbone interact. energy: -0.667 local terms energy: -514.842101 where: bonds (distance) C4'-P energy: -129.076 bonds (distance) P-C4' energy: -142.256 flat angles C4'-P-C4' energy: -137.092 flat angles P-C4'-P energy: -67.952 tors. eta vs tors. theta energy: -38.467 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: 9, replica: 7 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -946.705602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.705602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.705602 (E_RNA) where: Base-Base interactions energy: -479.383 where: short stacking energy: -259.878 Base-Backbone interact. energy: -1.893 local terms energy: -465.429442 where: bonds (distance) C4'-P energy: -113.748 bonds (distance) P-C4' energy: -154.845 flat angles C4'-P-C4' energy: -121.143 flat angles P-C4'-P energy: -68.109 tors. eta vs tors. theta energy: -7.584 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: 10, replica: 9 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -704.170252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.170252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.170252 (E_RNA) where: Base-Base interactions energy: -298.010 where: short stacking energy: -222.396 Base-Backbone interact. energy: 6.491 local terms energy: -412.651472 where: bonds (distance) C4'-P energy: -123.014 bonds (distance) P-C4' energy: -148.709 flat angles C4'-P-C4' energy: -101.491 flat angles P-C4'-P energy: -53.289 tors. eta vs tors. theta energy: 13.851 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: 2 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -2793.690612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.690612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.690612 (E_RNA) where: Base-Base interactions energy: -1950.483 where: short stacking energy: -809.256 Base-Backbone interact. energy: 3.765 local terms energy: -846.972513 where: bonds (distance) C4'-P energy: -163.027 bonds (distance) P-C4' energy: -147.202 flat angles C4'-P-C4' energy: -181.946 flat angles P-C4'-P energy: -113.187 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: 2, replica: 1 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -2612.613509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.613509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.613509 (E_RNA) where: Base-Base interactions energy: -1812.651 where: short stacking energy: -748.197 Base-Backbone interact. energy: 2.443 local terms energy: -802.406302 where: bonds (distance) C4'-P energy: -153.865 bonds (distance) P-C4' energy: -157.247 flat angles C4'-P-C4' energy: -157.314 flat angles P-C4'-P energy: -119.339 tors. eta vs tors. theta energy: -214.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -2452.244725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.244725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.244725 (E_RNA) where: Base-Base interactions energy: -1645.028 where: short stacking energy: -718.588 Base-Backbone interact. energy: -8.184 local terms energy: -799.033345 where: bonds (distance) C4'-P energy: -139.863 bonds (distance) P-C4' energy: -164.524 flat angles C4'-P-C4' energy: -180.327 flat angles P-C4'-P energy: -112.275 tors. eta vs tors. theta energy: -202.044 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: 8 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -2387.838940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.838940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.838940 (E_RNA) where: Base-Base interactions energy: -1598.506 where: short stacking energy: -648.591 Base-Backbone interact. energy: -2.446 local terms energy: -786.887461 where: bonds (distance) C4'-P energy: -149.999 bonds (distance) P-C4' energy: -158.225 flat angles C4'-P-C4' energy: -171.010 flat angles P-C4'-P energy: -116.986 tors. eta vs tors. theta energy: -190.667 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: 5, replica: 6 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -2153.167900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.167900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.167900 (E_RNA) where: Base-Base interactions energy: -1419.213 where: short stacking energy: -608.382 Base-Backbone interact. energy: 1.090 local terms energy: -735.044985 where: bonds (distance) C4'-P energy: -152.286 bonds (distance) P-C4' energy: -158.704 flat angles C4'-P-C4' energy: -146.604 flat angles P-C4'-P energy: -100.873 tors. eta vs tors. theta energy: -176.577 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: 6, replica: 5 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -1970.296858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.296858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.296858 (E_RNA) where: Base-Base interactions energy: -1274.052 where: short stacking energy: -573.111 Base-Backbone interact. energy: -3.453 local terms energy: -692.792011 where: bonds (distance) C4'-P energy: -137.446 bonds (distance) P-C4' energy: -159.632 flat angles C4'-P-C4' energy: -145.023 flat angles P-C4'-P energy: -105.748 tors. eta vs tors. theta energy: -144.944 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: 7, replica: 10 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1490.706022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.706022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.706022 (E_RNA) where: Base-Base interactions energy: -920.425 where: short stacking energy: -410.042 Base-Backbone interact. energy: 1.894 local terms energy: -572.174883 where: bonds (distance) C4'-P energy: -147.582 bonds (distance) P-C4' energy: -150.804 flat angles C4'-P-C4' energy: -127.864 flat angles P-C4'-P energy: -79.517 tors. eta vs tors. theta energy: -66.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1157.812854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.812854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.812854 (E_RNA) where: Base-Base interactions energy: -655.642 where: short stacking energy: -326.162 Base-Backbone interact. energy: -6.082 local terms energy: -496.089414 where: bonds (distance) C4'-P energy: -125.795 bonds (distance) P-C4' energy: -139.104 flat angles C4'-P-C4' energy: -124.812 flat angles P-C4'-P energy: -80.117 tors. eta vs tors. theta energy: -26.262 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: 7 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -989.558759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.558759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.558759 (E_RNA) where: Base-Base interactions energy: -508.164 where: short stacking energy: -292.680 Base-Backbone interact. energy: 4.886 local terms energy: -486.280907 where: bonds (distance) C4'-P energy: -129.944 bonds (distance) P-C4' energy: -130.565 flat angles C4'-P-C4' energy: -131.430 flat angles P-C4'-P energy: -65.498 tors. eta vs tors. theta energy: -28.845 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: 10, replica: 9 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -676.909795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.909795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.909795 (E_RNA) where: Base-Base interactions energy: -294.552 where: short stacking energy: -210.027 Base-Backbone interact. energy: 2.802 local terms energy: -385.160295 where: bonds (distance) C4'-P energy: -116.396 bonds (distance) P-C4' energy: -122.275 flat angles C4'-P-C4' energy: -104.882 flat angles P-C4'-P energy: -55.676 tors. eta vs tors. theta energy: 14.070 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: 2 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -2786.618454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.618454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.618454 (E_RNA) where: Base-Base interactions energy: -1911.240 where: short stacking energy: -805.485 Base-Backbone interact. energy: -2.278 local terms energy: -873.100331 where: bonds (distance) C4'-P energy: -170.572 bonds (distance) P-C4' energy: -149.395 flat angles C4'-P-C4' energy: -187.171 flat angles P-C4'-P energy: -125.112 tors. eta vs tors. theta energy: -240.852 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: 1 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -2613.947776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.947776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.947776 (E_RNA) where: Base-Base interactions energy: -1809.990 where: short stacking energy: -765.635 Base-Backbone interact. energy: 2.290 local terms energy: -806.247759 where: bonds (distance) C4'-P energy: -138.298 bonds (distance) P-C4' energy: -151.586 flat angles C4'-P-C4' energy: -183.956 flat angles P-C4'-P energy: -124.596 tors. eta vs tors. theta energy: -207.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2494.580692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.580692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.580692 (E_RNA) where: Base-Base interactions energy: -1695.654 where: short stacking energy: -751.347 Base-Backbone interact. energy: -0.666 local terms energy: -798.260701 where: bonds (distance) C4'-P energy: -158.142 bonds (distance) P-C4' energy: -157.826 flat angles C4'-P-C4' energy: -163.782 flat angles P-C4'-P energy: -108.555 tors. eta vs tors. theta energy: -209.957 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: 8 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -2395.226679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.226679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.226679 (E_RNA) where: Base-Base interactions energy: -1638.766 where: short stacking energy: -655.352 Base-Backbone interact. energy: -1.984 local terms energy: -754.477017 where: bonds (distance) C4'-P energy: -139.080 bonds (distance) P-C4' energy: -155.316 flat angles C4'-P-C4' energy: -171.267 flat angles P-C4'-P energy: -108.208 tors. eta vs tors. theta energy: -180.606 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: 5, replica: 6 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -2133.926792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.926792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.926792 (E_RNA) where: Base-Base interactions energy: -1424.155 where: short stacking energy: -652.930 Base-Backbone interact. energy: -2.394 local terms energy: -707.377617 where: bonds (distance) C4'-P energy: -143.868 bonds (distance) P-C4' energy: -124.623 flat angles C4'-P-C4' energy: -160.532 flat angles P-C4'-P energy: -104.219 tors. eta vs tors. theta energy: -174.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -2004.148322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.148322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.148322 (E_RNA) where: Base-Base interactions energy: -1312.720 where: short stacking energy: -608.184 Base-Backbone interact. energy: -0.460 local terms energy: -690.968574 where: bonds (distance) C4'-P energy: -117.167 bonds (distance) P-C4' energy: -121.388 flat angles C4'-P-C4' energy: -171.255 flat angles P-C4'-P energy: -105.421 tors. eta vs tors. theta energy: -175.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1492.485112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.485112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.485112 (E_RNA) where: Base-Base interactions energy: -927.832 where: short stacking energy: -469.503 Base-Backbone interact. energy: -4.621 local terms energy: -560.032604 where: bonds (distance) C4'-P energy: -129.419 bonds (distance) P-C4' energy: -130.203 flat angles C4'-P-C4' energy: -141.274 flat angles P-C4'-P energy: -56.873 tors. eta vs tors. theta energy: -102.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1182.245258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.245258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.245258 (E_RNA) where: Base-Base interactions energy: -688.822 where: short stacking energy: -323.105 Base-Backbone interact. energy: 2.635 local terms energy: -496.058146 where: bonds (distance) C4'-P energy: -128.580 bonds (distance) P-C4' energy: -141.690 flat angles C4'-P-C4' energy: -141.320 flat angles P-C4'-P energy: -64.990 tors. eta vs tors. theta energy: -19.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -878.335346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.335346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.335346 (E_RNA) where: Base-Base interactions energy: -436.006 where: short stacking energy: -249.819 Base-Backbone interact. energy: 3.408 local terms energy: -445.737236 where: bonds (distance) C4'-P energy: -117.918 bonds (distance) P-C4' energy: -145.522 flat angles C4'-P-C4' energy: -130.361 flat angles P-C4'-P energy: -50.737 tors. eta vs tors. theta energy: -1.199 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: 10, replica: 9 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -677.738454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.738454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.738454 (E_RNA) where: Base-Base interactions energy: -291.474 where: short stacking energy: -208.266 Base-Backbone interact. energy: 0.755 local terms energy: -387.019556 where: bonds (distance) C4'-P energy: -118.866 bonds (distance) P-C4' energy: -151.662 flat angles C4'-P-C4' energy: -90.151 flat angles P-C4'-P energy: -49.853 tors. eta vs tors. theta energy: 23.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -2753.350340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.350340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.350340 (E_RNA) where: Base-Base interactions energy: -1905.075 where: short stacking energy: -785.146 Base-Backbone interact. energy: -2.904 local terms energy: -845.371585 where: bonds (distance) C4'-P energy: -151.298 bonds (distance) P-C4' energy: -154.311 flat angles C4'-P-C4' energy: -181.835 flat angles P-C4'-P energy: -124.433 tors. eta vs tors. theta energy: -233.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -2603.187246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.187246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.187246 (E_RNA) where: Base-Base interactions energy: -1809.096 where: short stacking energy: -759.812 Base-Backbone interact. energy: 1.863 local terms energy: -795.954194 where: bonds (distance) C4'-P energy: -144.484 bonds (distance) P-C4' energy: -148.987 flat angles C4'-P-C4' energy: -169.446 flat angles P-C4'-P energy: -119.551 tors. eta vs tors. theta energy: -213.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2499.597194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.597194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.597194 (E_RNA) where: Base-Base interactions energy: -1703.296 where: short stacking energy: -763.799 Base-Backbone interact. energy: -5.290 local terms energy: -791.010926 where: bonds (distance) C4'-P energy: -140.808 bonds (distance) P-C4' energy: -154.206 flat angles C4'-P-C4' energy: -175.469 flat angles P-C4'-P energy: -107.582 tors. eta vs tors. theta energy: -212.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -2432.177270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.177270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.177270 (E_RNA) where: Base-Base interactions energy: -1688.627 where: short stacking energy: -716.537 Base-Backbone interact. energy: -4.817 local terms energy: -738.733774 where: bonds (distance) C4'-P energy: -136.385 bonds (distance) P-C4' energy: -135.270 flat angles C4'-P-C4' energy: -170.965 flat angles P-C4'-P energy: -107.099 tors. eta vs tors. theta energy: -189.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -2155.804835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.804835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.804835 (E_RNA) where: Base-Base interactions energy: -1456.955 where: short stacking energy: -621.238 Base-Backbone interact. energy: -1.785 local terms energy: -697.064978 where: bonds (distance) C4'-P energy: -142.581 bonds (distance) P-C4' energy: -147.920 flat angles C4'-P-C4' energy: -159.902 flat angles P-C4'-P energy: -88.856 tors. eta vs tors. theta energy: -157.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -1995.115603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.115603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.115603 (E_RNA) where: Base-Base interactions energy: -1309.576 where: short stacking energy: -579.352 Base-Backbone interact. energy: 0.627 local terms energy: -686.167072 where: bonds (distance) C4'-P energy: -132.891 bonds (distance) P-C4' energy: -139.533 flat angles C4'-P-C4' energy: -152.237 flat angles P-C4'-P energy: -104.681 tors. eta vs tors. theta energy: -156.825 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: 7, replica: 10 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1516.439742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.439742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.439742 (E_RNA) where: Base-Base interactions energy: -928.032 where: short stacking energy: -427.561 Base-Backbone interact. energy: -0.607 local terms energy: -587.801219 where: bonds (distance) C4'-P energy: -150.589 bonds (distance) P-C4' energy: -138.275 flat angles C4'-P-C4' energy: -127.406 flat angles P-C4'-P energy: -93.098 tors. eta vs tors. theta energy: -78.434 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: 3 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1173.503028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.503028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.503028 (E_RNA) where: Base-Base interactions energy: -661.861 where: short stacking energy: -334.177 Base-Backbone interact. energy: -2.873 local terms energy: -508.768810 where: bonds (distance) C4'-P energy: -117.815 bonds (distance) P-C4' energy: -142.389 flat angles C4'-P-C4' energy: -129.587 flat angles P-C4'-P energy: -91.773 tors. eta vs tors. theta energy: -27.205 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: 7 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -924.323329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.323329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.323329 (E_RNA) where: Base-Base interactions energy: -442.065 where: short stacking energy: -255.015 Base-Backbone interact. energy: -1.657 local terms energy: -480.601432 where: bonds (distance) C4'-P energy: -121.106 bonds (distance) P-C4' energy: -135.859 flat angles C4'-P-C4' energy: -145.368 flat angles P-C4'-P energy: -62.336 tors. eta vs tors. theta energy: -15.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -728.466722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.466722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.466722 (E_RNA) where: Base-Base interactions energy: -294.472 where: short stacking energy: -186.562 Base-Backbone interact. energy: -2.185 local terms energy: -431.809749 where: bonds (distance) C4'-P energy: -142.103 bonds (distance) P-C4' energy: -136.214 flat angles C4'-P-C4' energy: -113.342 flat angles P-C4'-P energy: -66.943 tors. eta vs tors. theta energy: 26.792 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: 2 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -2762.343615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.343615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.343615 (E_RNA) where: Base-Base interactions energy: -1875.421 where: short stacking energy: -795.701 Base-Backbone interact. energy: -5.663 local terms energy: -881.260104 where: bonds (distance) C4'-P energy: -151.294 bonds (distance) P-C4' energy: -179.866 flat angles C4'-P-C4' energy: -184.569 flat angles P-C4'-P energy: -127.990 tors. eta vs tors. theta energy: -237.541 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: 2, replica: 1 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -2600.505778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.505778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.505778 (E_RNA) where: Base-Base interactions energy: -1765.617 where: short stacking energy: -769.439 Base-Backbone interact. energy: -0.998 local terms energy: -833.891020 where: bonds (distance) C4'-P energy: -158.799 bonds (distance) P-C4' energy: -160.752 flat angles C4'-P-C4' energy: -179.587 flat angles P-C4'-P energy: -118.363 tors. eta vs tors. theta energy: -216.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2501.948249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.948249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.948249 (E_RNA) where: Base-Base interactions energy: -1684.811 where: short stacking energy: -752.784 Base-Backbone interact. energy: -1.834 local terms energy: -815.302796 where: bonds (distance) C4'-P energy: -153.657 bonds (distance) P-C4' energy: -153.405 flat angles C4'-P-C4' energy: -175.742 flat angles P-C4'-P energy: -112.224 tors. eta vs tors. theta energy: -220.275 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: 8 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -2333.722806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.722806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.722806 (E_RNA) where: Base-Base interactions energy: -1577.039 where: short stacking energy: -682.028 Base-Backbone interact. energy: -4.450 local terms energy: -752.234197 where: bonds (distance) C4'-P energy: -144.509 bonds (distance) P-C4' energy: -145.219 flat angles C4'-P-C4' energy: -167.487 flat angles P-C4'-P energy: -107.326 tors. eta vs tors. theta energy: -187.693 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: 5, replica: 5 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -2125.781816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.781816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.781816 (E_RNA) where: Base-Base interactions energy: -1378.550 where: short stacking energy: -622.819 Base-Backbone interact. energy: -2.249 local terms energy: -744.982950 where: bonds (distance) C4'-P energy: -143.504 bonds (distance) P-C4' energy: -166.864 flat angles C4'-P-C4' energy: -162.288 flat angles P-C4'-P energy: -110.859 tors. eta vs tors. theta energy: -161.468 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: 6, replica: 6 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -2107.414009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.414009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.414009 (E_RNA) where: Base-Base interactions energy: -1424.816 where: short stacking energy: -629.470 Base-Backbone interact. energy: -1.141 local terms energy: -681.456479 where: bonds (distance) C4'-P energy: -124.859 bonds (distance) P-C4' energy: -147.495 flat angles C4'-P-C4' energy: -161.948 flat angles P-C4'-P energy: -78.502 tors. eta vs tors. theta energy: -168.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1485.085168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.085168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.085168 (E_RNA) where: Base-Base interactions energy: -923.765 where: short stacking energy: -418.733 Base-Backbone interact. energy: 2.571 local terms energy: -563.890676 where: bonds (distance) C4'-P energy: -126.095 bonds (distance) P-C4' energy: -135.302 flat angles C4'-P-C4' energy: -133.010 flat angles P-C4'-P energy: -100.844 tors. eta vs tors. theta energy: -68.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1221.665391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.665391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.665391 (E_RNA) where: Base-Base interactions energy: -698.086 where: short stacking energy: -351.850 Base-Backbone interact. energy: -1.941 local terms energy: -521.638541 where: bonds (distance) C4'-P energy: -133.972 bonds (distance) P-C4' energy: -134.940 flat angles C4'-P-C4' energy: -120.447 flat angles P-C4'-P energy: -95.972 tors. eta vs tors. theta energy: -36.307 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: 9, replica: 7 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -926.701859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.701859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.701859 (E_RNA) where: Base-Base interactions energy: -502.952 where: short stacking energy: -308.383 Base-Backbone interact. energy: 4.285 local terms energy: -428.034877 where: bonds (distance) C4'-P energy: -131.511 bonds (distance) P-C4' energy: -117.260 flat angles C4'-P-C4' energy: -103.918 flat angles P-C4'-P energy: -67.165 tors. eta vs tors. theta energy: -8.182 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: 10, replica: 9 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -634.924557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.924557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.924557 (E_RNA) where: Base-Base interactions energy: -251.767 where: short stacking energy: -169.216 Base-Backbone interact. energy: -0.212 local terms energy: -382.945598 where: bonds (distance) C4'-P energy: -126.747 bonds (distance) P-C4' energy: -122.956 flat angles C4'-P-C4' energy: -123.787 flat angles P-C4'-P energy: -48.152 tors. eta vs tors. theta energy: 38.697 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: 2 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -2769.863879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.863879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.863879 (E_RNA) where: Base-Base interactions energy: -1909.041 where: short stacking energy: -809.846 Base-Backbone interact. energy: 3.138 local terms energy: -863.960649 where: bonds (distance) C4'-P energy: -166.446 bonds (distance) P-C4' energy: -164.030 flat angles C4'-P-C4' energy: -183.484 flat angles P-C4'-P energy: -116.207 tors. eta vs tors. theta energy: -233.793 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: 2, replica: 1 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -2593.614624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.614624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.614624 (E_RNA) where: Base-Base interactions energy: -1809.459 where: short stacking energy: -768.344 Base-Backbone interact. energy: -1.798 local terms energy: -782.357613 where: bonds (distance) C4'-P energy: -143.971 bonds (distance) P-C4' energy: -156.726 flat angles C4'-P-C4' energy: -175.419 flat angles P-C4'-P energy: -98.375 tors. eta vs tors. theta energy: -207.866 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: 353 Temperature: 1.000000 Total energy: -2537.916128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.916128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.916128 (E_RNA) where: Base-Base interactions energy: -1724.838 where: short stacking energy: -740.153 Base-Backbone interact. energy: 2.958 local terms energy: -816.035738 where: bonds (distance) C4'-P energy: -165.303 bonds (distance) P-C4' energy: -142.691 flat angles C4'-P-C4' energy: -175.240 flat angles P-C4'-P energy: -112.329 tors. eta vs tors. theta energy: -220.473 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: 8 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -2375.495353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.495353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.495353 (E_RNA) where: Base-Base interactions energy: -1640.113 where: short stacking energy: -669.795 Base-Backbone interact. energy: -2.854 local terms energy: -732.527874 where: bonds (distance) C4'-P energy: -144.239 bonds (distance) P-C4' energy: -147.190 flat angles C4'-P-C4' energy: -169.712 flat angles P-C4'-P energy: -75.073 tors. eta vs tors. theta energy: -196.313 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: 5, replica: 5 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -2121.975508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.975508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.975508 (E_RNA) where: Base-Base interactions energy: -1426.154 where: short stacking energy: -631.781 Base-Backbone interact. energy: -3.044 local terms energy: -692.777773 where: bonds (distance) C4'-P energy: -123.757 bonds (distance) P-C4' energy: -137.084 flat angles C4'-P-C4' energy: -148.080 flat angles P-C4'-P energy: -109.732 tors. eta vs tors. theta energy: -174.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -2072.000966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.000966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.000966 (E_RNA) where: Base-Base interactions energy: -1399.328 where: short stacking energy: -604.506 Base-Backbone interact. energy: -0.112 local terms energy: -672.560640 where: bonds (distance) C4'-P energy: -111.347 bonds (distance) P-C4' energy: -148.613 flat angles C4'-P-C4' energy: -152.762 flat angles P-C4'-P energy: -101.427 tors. eta vs tors. theta energy: -158.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1493.889512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.889512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.889512 (E_RNA) where: Base-Base interactions energy: -914.653 where: short stacking energy: -407.195 Base-Backbone interact. energy: 1.688 local terms energy: -580.924473 where: bonds (distance) C4'-P energy: -139.188 bonds (distance) P-C4' energy: -150.557 flat angles C4'-P-C4' energy: -132.905 flat angles P-C4'-P energy: -90.827 tors. eta vs tors. theta energy: -67.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1273.928078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.928078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.928078 (E_RNA) where: Base-Base interactions energy: -750.215 where: short stacking energy: -345.452 Base-Backbone interact. energy: 2.977 local terms energy: -526.690220 where: bonds (distance) C4'-P energy: -135.198 bonds (distance) P-C4' energy: -134.319 flat angles C4'-P-C4' energy: -136.298 flat angles P-C4'-P energy: -80.460 tors. eta vs tors. theta energy: -40.414 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: 7 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -894.139321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.139321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.139321 (E_RNA) where: Base-Base interactions energy: -432.332 where: short stacking energy: -246.993 Base-Backbone interact. energy: 2.986 local terms energy: -464.793555 where: bonds (distance) C4'-P energy: -131.965 bonds (distance) P-C4' energy: -136.964 flat angles C4'-P-C4' energy: -113.590 flat angles P-C4'-P energy: -75.519 tors. eta vs tors. theta energy: -6.756 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: 9 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -590.666251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.666251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.666251 (E_RNA) where: Base-Base interactions energy: -204.946 where: short stacking energy: -181.380 Base-Backbone interact. energy: 15.776 local terms energy: -401.496952 where: bonds (distance) C4'-P energy: -141.942 bonds (distance) P-C4' energy: -117.854 flat angles C4'-P-C4' energy: -107.841 flat angles P-C4'-P energy: -56.669 tors. eta vs tors. theta energy: 22.809 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: 1, replica: 2 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -2773.178031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.178031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.178031 (E_RNA) where: Base-Base interactions energy: -1947.720 where: short stacking energy: -811.412 Base-Backbone interact. energy: -2.572 local terms energy: -822.885480 where: bonds (distance) C4'-P energy: -149.194 bonds (distance) P-C4' energy: -170.235 flat angles C4'-P-C4' energy: -175.148 flat angles P-C4'-P energy: -107.111 tors. eta vs tors. theta energy: -221.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -2609.171999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.171999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.171999 (E_RNA) where: Base-Base interactions energy: -1788.466 where: short stacking energy: -771.074 Base-Backbone interact. energy: -5.525 local terms energy: -815.181418 where: bonds (distance) C4'-P energy: -163.939 bonds (distance) P-C4' energy: -162.898 flat angles C4'-P-C4' energy: -173.682 flat angles P-C4'-P energy: -92.458 tors. eta vs tors. theta energy: -222.204 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: 4 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2474.651366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.651366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.651366 (E_RNA) where: Base-Base interactions energy: -1692.977 where: short stacking energy: -710.915 Base-Backbone interact. energy: -5.101 local terms energy: -776.573264 where: bonds (distance) C4'-P energy: -163.082 bonds (distance) P-C4' energy: -144.663 flat angles C4'-P-C4' energy: -164.262 flat angles P-C4'-P energy: -102.598 tors. eta vs tors. theta energy: -201.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -2409.216634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.216634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.216634 (E_RNA) where: Base-Base interactions energy: -1635.558 where: short stacking energy: -680.261 Base-Backbone interact. energy: -3.174 local terms energy: -770.484287 where: bonds (distance) C4'-P energy: -140.337 bonds (distance) P-C4' energy: -135.004 flat angles C4'-P-C4' energy: -186.326 flat angles P-C4'-P energy: -116.787 tors. eta vs tors. theta energy: -192.029 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: 5, replica: 5 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -2128.280467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.280467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.280467 (E_RNA) where: Base-Base interactions energy: -1442.157 where: short stacking energy: -637.128 Base-Backbone interact. energy: -0.612 local terms energy: -685.511328 where: bonds (distance) C4'-P energy: -144.593 bonds (distance) P-C4' energy: -137.563 flat angles C4'-P-C4' energy: -147.993 flat angles P-C4'-P energy: -90.267 tors. eta vs tors. theta energy: -165.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -2039.890510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.890510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.890510 (E_RNA) where: Base-Base interactions energy: -1361.876 where: short stacking energy: -613.669 Base-Backbone interact. energy: 0.927 local terms energy: -678.941151 where: bonds (distance) C4'-P energy: -126.265 bonds (distance) P-C4' energy: -128.498 flat angles C4'-P-C4' energy: -146.705 flat angles P-C4'-P energy: -107.526 tors. eta vs tors. theta energy: -169.946 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: 7, replica: 10 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1574.349197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.349197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.349197 (E_RNA) where: Base-Base interactions energy: -995.054 where: short stacking energy: -452.752 Base-Backbone interact. energy: -1.014 local terms energy: -578.280998 where: bonds (distance) C4'-P energy: -125.103 bonds (distance) P-C4' energy: -129.369 flat angles C4'-P-C4' energy: -143.823 flat angles P-C4'-P energy: -75.713 tors. eta vs tors. theta energy: -104.273 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: 8, replica: 3 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1306.865213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.865213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.865213 (E_RNA) where: Base-Base interactions energy: -758.841 where: short stacking energy: -386.273 Base-Backbone interact. energy: 5.002 local terms energy: -553.025885 where: bonds (distance) C4'-P energy: -132.909 bonds (distance) P-C4' energy: -150.219 flat angles C4'-P-C4' energy: -135.628 flat angles P-C4'-P energy: -75.792 tors. eta vs tors. theta energy: -58.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -847.369631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.369631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.369631 (E_RNA) where: Base-Base interactions energy: -407.234 where: short stacking energy: -240.756 Base-Backbone interact. energy: 4.627 local terms energy: -444.761854 where: bonds (distance) C4'-P energy: -137.009 bonds (distance) P-C4' energy: -150.510 flat angles C4'-P-C4' energy: -112.226 flat angles P-C4'-P energy: -48.016 tors. eta vs tors. theta energy: 3.000 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: 10, replica: 9 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -595.961296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.961296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.961296 (E_RNA) where: Base-Base interactions energy: -208.119 where: short stacking energy: -161.472 Base-Backbone interact. energy: 6.797 local terms energy: -394.638713 where: bonds (distance) C4'-P energy: -130.243 bonds (distance) P-C4' energy: -130.016 flat angles C4'-P-C4' energy: -103.311 flat angles P-C4'-P energy: -65.856 tors. eta vs tors. theta energy: 34.787 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: 2 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -2787.359506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.359506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.359506 (E_RNA) where: Base-Base interactions energy: -1919.124 where: short stacking energy: -804.730 Base-Backbone interact. energy: 3.192 local terms energy: -871.427409 where: bonds (distance) C4'-P energy: -169.508 bonds (distance) P-C4' energy: -169.489 flat angles C4'-P-C4' energy: -190.817 flat angles P-C4'-P energy: -104.790 tors. eta vs tors. theta energy: -236.824 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: 2, replica: 1 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -2631.110850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.110850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.110850 (E_RNA) where: Base-Base interactions energy: -1809.386 where: short stacking energy: -753.324 Base-Backbone interact. energy: -5.464 local terms energy: -816.260426 where: bonds (distance) C4'-P energy: -165.214 bonds (distance) P-C4' energy: -151.242 flat angles C4'-P-C4' energy: -180.140 flat angles P-C4'-P energy: -109.472 tors. eta vs tors. theta energy: -210.193 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: 355 Temperature: 1.000000 Total energy: -2509.915511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.915511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.915511 (E_RNA) where: Base-Base interactions energy: -1684.254 where: short stacking energy: -705.636 Base-Backbone interact. energy: -3.454 local terms energy: -822.207514 where: bonds (distance) C4'-P energy: -145.997 bonds (distance) P-C4' energy: -163.353 flat angles C4'-P-C4' energy: -176.893 flat angles P-C4'-P energy: -107.929 tors. eta vs tors. theta energy: -228.036 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: 8 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -2439.920865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.920865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.920865 (E_RNA) where: Base-Base interactions energy: -1668.138 where: short stacking energy: -696.113 Base-Backbone interact. energy: -8.291 local terms energy: -763.491753 where: bonds (distance) C4'-P energy: -144.547 bonds (distance) P-C4' energy: -159.726 flat angles C4'-P-C4' energy: -168.255 flat angles P-C4'-P energy: -99.988 tors. eta vs tors. theta energy: -190.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -2133.750573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.750573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.750573 (E_RNA) where: Base-Base interactions energy: -1392.692 where: short stacking energy: -601.016 Base-Backbone interact. energy: -2.393 local terms energy: -738.665322 where: bonds (distance) C4'-P energy: -150.037 bonds (distance) P-C4' energy: -168.778 flat angles C4'-P-C4' energy: -162.910 flat angles P-C4'-P energy: -83.890 tors. eta vs tors. theta energy: -173.050 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: 6, replica: 6 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -2057.106985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.106985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.106985 (E_RNA) where: Base-Base interactions energy: -1352.278 where: short stacking energy: -631.120 Base-Backbone interact. energy: 0.291 local terms energy: -705.120067 where: bonds (distance) C4'-P energy: -148.331 bonds (distance) P-C4' energy: -137.098 flat angles C4'-P-C4' energy: -159.620 flat angles P-C4'-P energy: -98.699 tors. eta vs tors. theta energy: -161.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1584.821835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.821835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.821835 (E_RNA) where: Base-Base interactions energy: -985.755 where: short stacking energy: -450.398 Base-Backbone interact. energy: -3.050 local terms energy: -596.016081 where: bonds (distance) C4'-P energy: -108.495 bonds (distance) P-C4' energy: -155.933 flat angles C4'-P-C4' energy: -152.473 flat angles P-C4'-P energy: -86.122 tors. eta vs tors. theta energy: -92.994 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: 3 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1263.043229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.043229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.043229 (E_RNA) where: Base-Base interactions energy: -709.644 where: short stacking energy: -353.731 Base-Backbone interact. energy: 2.431 local terms energy: -555.830206 where: bonds (distance) C4'-P energy: -137.892 bonds (distance) P-C4' energy: -138.447 flat angles C4'-P-C4' energy: -124.808 flat angles P-C4'-P energy: -105.723 tors. eta vs tors. theta energy: -48.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -875.351094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.351094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.351094 (E_RNA) where: Base-Base interactions energy: -442.536 where: short stacking energy: -256.694 Base-Backbone interact. energy: -0.235 local terms energy: -432.579277 where: bonds (distance) C4'-P energy: -132.068 bonds (distance) P-C4' energy: -120.126 flat angles C4'-P-C4' energy: -102.341 flat angles P-C4'-P energy: -69.618 tors. eta vs tors. theta energy: -8.426 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: 9 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -612.763694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.763694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.763694 (E_RNA) where: Base-Base interactions energy: -242.158 where: short stacking energy: -201.885 Base-Backbone interact. energy: -0.678 local terms energy: -369.927861 where: bonds (distance) C4'-P energy: -104.151 bonds (distance) P-C4' energy: -139.305 flat angles C4'-P-C4' energy: -95.200 flat angles P-C4'-P energy: -61.801 tors. eta vs tors. theta energy: 30.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -2784.181914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.181914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.181914 (E_RNA) where: Base-Base interactions energy: -1924.291 where: short stacking energy: -782.861 Base-Backbone interact. energy: -5.214 local terms energy: -854.677026 where: bonds (distance) C4'-P energy: -150.572 bonds (distance) P-C4' energy: -155.752 flat angles C4'-P-C4' energy: -187.901 flat angles P-C4'-P energy: -126.773 tors. eta vs tors. theta energy: -233.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -2608.570123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.570123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.570123 (E_RNA) where: Base-Base interactions energy: -1774.512 where: short stacking energy: -733.274 Base-Backbone interact. energy: -4.731 local terms energy: -829.327495 where: bonds (distance) C4'-P energy: -156.030 bonds (distance) P-C4' energy: -164.512 flat angles C4'-P-C4' energy: -174.656 flat angles P-C4'-P energy: -119.334 tors. eta vs tors. theta energy: -214.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -2477.998222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.998222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.998222 (E_RNA) where: Base-Base interactions energy: -1689.817 where: short stacking energy: -745.802 Base-Backbone interact. energy: -0.897 local terms energy: -787.283902 where: bonds (distance) C4'-P energy: -146.507 bonds (distance) P-C4' energy: -148.948 flat angles C4'-P-C4' energy: -175.949 flat angles P-C4'-P energy: -108.012 tors. eta vs tors. theta energy: -207.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -2365.365557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.365557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.365557 (E_RNA) where: Base-Base interactions energy: -1619.973 where: short stacking energy: -669.872 Base-Backbone interact. energy: -3.997 local terms energy: -741.395486 where: bonds (distance) C4'-P energy: -127.032 bonds (distance) P-C4' energy: -144.077 flat angles C4'-P-C4' energy: -162.872 flat angles P-C4'-P energy: -116.535 tors. eta vs tors. theta energy: -190.880 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: 5, replica: 5 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -2102.473582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.473582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.473582 (E_RNA) where: Base-Base interactions energy: -1395.128 where: short stacking energy: -619.606 Base-Backbone interact. energy: -3.681 local terms energy: -703.664398 where: bonds (distance) C4'-P energy: -138.296 bonds (distance) P-C4' energy: -140.791 flat angles C4'-P-C4' energy: -162.500 flat angles P-C4'-P energy: -99.171 tors. eta vs tors. theta energy: -162.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -2047.945865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.945865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.945865 (E_RNA) where: Base-Base interactions energy: -1361.888 where: short stacking energy: -611.974 Base-Backbone interact. energy: -4.441 local terms energy: -681.616871 where: bonds (distance) C4'-P energy: -141.860 bonds (distance) P-C4' energy: -144.665 flat angles C4'-P-C4' energy: -145.062 flat angles P-C4'-P energy: -103.416 tors. eta vs tors. theta energy: -146.613 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: 7, replica: 10 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1582.977656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.977656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.977656 (E_RNA) where: Base-Base interactions energy: -985.564 where: short stacking energy: -450.353 Base-Backbone interact. energy: -4.742 local terms energy: -592.671775 where: bonds (distance) C4'-P energy: -125.328 bonds (distance) P-C4' energy: -156.280 flat angles C4'-P-C4' energy: -151.021 flat angles P-C4'-P energy: -60.632 tors. eta vs tors. theta energy: -99.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1307.362178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.362178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.362178 (E_RNA) where: Base-Base interactions energy: -799.221 where: short stacking energy: -381.987 Base-Backbone interact. energy: -0.441 local terms energy: -507.699972 where: bonds (distance) C4'-P energy: -117.098 bonds (distance) P-C4' energy: -139.699 flat angles C4'-P-C4' energy: -127.227 flat angles P-C4'-P energy: -78.701 tors. eta vs tors. theta energy: -44.974 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: 7 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -875.694853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.694853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.694853 (E_RNA) where: Base-Base interactions energy: -430.042 where: short stacking energy: -228.510 Base-Backbone interact. energy: 1.754 local terms energy: -447.407215 where: bonds (distance) C4'-P energy: -138.148 bonds (distance) P-C4' energy: -140.121 flat angles C4'-P-C4' energy: -102.382 flat angles P-C4'-P energy: -77.402 tors. eta vs tors. theta energy: 10.646 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: 9 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -606.121211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.121211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.121211 (E_RNA) where: Base-Base interactions energy: -243.346 where: short stacking energy: -145.380 Base-Backbone interact. energy: 1.234 local terms energy: -364.009466 where: bonds (distance) C4'-P energy: -113.281 bonds (distance) P-C4' energy: -150.736 flat angles C4'-P-C4' energy: -93.413 flat angles P-C4'-P energy: -45.104 tors. eta vs tors. theta energy: 38.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -2781.368515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.368515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.368515 (E_RNA) where: Base-Base interactions energy: -1911.484 where: short stacking energy: -806.186 Base-Backbone interact. energy: -6.426 local terms energy: -863.458276 where: bonds (distance) C4'-P energy: -157.599 bonds (distance) P-C4' energy: -167.918 flat angles C4'-P-C4' energy: -185.764 flat angles P-C4'-P energy: -122.804 tors. eta vs tors. theta energy: -229.374 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: 2, replica: 1 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -2602.808242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.808242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.808242 (E_RNA) where: Base-Base interactions energy: -1823.235 where: short stacking energy: -766.208 Base-Backbone interact. energy: 0.900 local terms energy: -780.473404 where: bonds (distance) C4'-P energy: -142.961 bonds (distance) P-C4' energy: -152.684 flat angles C4'-P-C4' energy: -172.023 flat angles P-C4'-P energy: -100.400 tors. eta vs tors. theta energy: -212.406 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: 4 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2515.627183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.627183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.627183 (E_RNA) where: Base-Base interactions energy: -1708.713 where: short stacking energy: -736.671 Base-Backbone interact. energy: -0.974 local terms energy: -805.940199 where: bonds (distance) C4'-P energy: -154.928 bonds (distance) P-C4' energy: -159.572 flat angles C4'-P-C4' energy: -173.724 flat angles P-C4'-P energy: -102.039 tors. eta vs tors. theta energy: -215.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -2354.827373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.827373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.827373 (E_RNA) where: Base-Base interactions energy: -1628.256 where: short stacking energy: -656.291 Base-Backbone interact. energy: -1.860 local terms energy: -724.711385 where: bonds (distance) C4'-P energy: -147.005 bonds (distance) P-C4' energy: -140.269 flat angles C4'-P-C4' energy: -161.587 flat angles P-C4'-P energy: -94.153 tors. eta vs tors. theta energy: -181.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -2050.804341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.804341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.804341 (E_RNA) where: Base-Base interactions energy: -1340.291 where: short stacking energy: -626.305 Base-Backbone interact. energy: -4.013 local terms energy: -706.500266 where: bonds (distance) C4'-P energy: -134.845 bonds (distance) P-C4' energy: -140.543 flat angles C4'-P-C4' energy: -156.651 flat angles P-C4'-P energy: -105.371 tors. eta vs tors. theta energy: -169.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -2070.074298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.074298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.074298 (E_RNA) where: Base-Base interactions energy: -1381.432 where: short stacking energy: -601.009 Base-Backbone interact. energy: 2.420 local terms energy: -691.062481 where: bonds (distance) C4'-P energy: -143.972 bonds (distance) P-C4' energy: -143.680 flat angles C4'-P-C4' energy: -150.041 flat angles P-C4'-P energy: -93.404 tors. eta vs tors. theta energy: -159.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1582.296311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.296311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.296311 (E_RNA) where: Base-Base interactions energy: -968.115 where: short stacking energy: -434.160 Base-Backbone interact. energy: -1.794 local terms energy: -612.388037 where: bonds (distance) C4'-P energy: -143.179 bonds (distance) P-C4' energy: -151.206 flat angles C4'-P-C4' energy: -133.364 flat angles P-C4'-P energy: -84.091 tors. eta vs tors. theta energy: -100.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1338.945934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.945934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.945934 (E_RNA) where: Base-Base interactions energy: -829.129 where: short stacking energy: -384.198 Base-Backbone interact. energy: -4.617 local terms energy: -505.199969 where: bonds (distance) C4'-P energy: -132.881 bonds (distance) P-C4' energy: -120.243 flat angles C4'-P-C4' energy: -139.905 flat angles P-C4'-P energy: -57.799 tors. eta vs tors. theta energy: -54.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -856.949481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.949481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.949481 (E_RNA) where: Base-Base interactions energy: -456.650 where: short stacking energy: -247.142 Base-Backbone interact. energy: -3.530 local terms energy: -396.769522 where: bonds (distance) C4'-P energy: -119.620 bonds (distance) P-C4' energy: -137.163 flat angles C4'-P-C4' energy: -88.228 flat angles P-C4'-P energy: -55.143 tors. eta vs tors. theta energy: 3.384 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: 10, replica: 9 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -607.635432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.635432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.635432 (E_RNA) where: Base-Base interactions energy: -209.155 where: short stacking energy: -163.966 Base-Backbone interact. energy: 2.278 local terms energy: -400.759168 where: bonds (distance) C4'-P energy: -128.635 bonds (distance) P-C4' energy: -129.373 flat angles C4'-P-C4' energy: -109.696 flat angles P-C4'-P energy: -53.853 tors. eta vs tors. theta energy: 20.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -2811.559283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.559283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.559283 (E_RNA) where: Base-Base interactions energy: -1936.710 where: short stacking energy: -825.746 Base-Backbone interact. energy: -2.510 local terms energy: -872.339008 where: bonds (distance) C4'-P energy: -163.807 bonds (distance) P-C4' energy: -155.948 flat angles C4'-P-C4' energy: -191.241 flat angles P-C4'-P energy: -119.420 tors. eta vs tors. theta energy: -241.923 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: 2, replica: 1 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -2589.828585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.828585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.828585 (E_RNA) where: Base-Base interactions energy: -1778.201 where: short stacking energy: -741.591 Base-Backbone interact. energy: 0.534 local terms energy: -812.161325 where: bonds (distance) C4'-P energy: -154.795 bonds (distance) P-C4' energy: -160.120 flat angles C4'-P-C4' energy: -173.066 flat angles P-C4'-P energy: -113.504 tors. eta vs tors. theta energy: -210.676 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: 4 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2481.164557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.164557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.164557 (E_RNA) where: Base-Base interactions energy: -1655.868 where: short stacking energy: -727.331 Base-Backbone interact. energy: -5.139 local terms energy: -820.157577 where: bonds (distance) C4'-P energy: -172.126 bonds (distance) P-C4' energy: -163.500 flat angles C4'-P-C4' energy: -171.576 flat angles P-C4'-P energy: -108.026 tors. eta vs tors. theta energy: -204.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -2348.085974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.085974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.085974 (E_RNA) where: Base-Base interactions energy: -1590.741 where: short stacking energy: -642.785 Base-Backbone interact. energy: 0.288 local terms energy: -757.633070 where: bonds (distance) C4'-P energy: -144.644 bonds (distance) P-C4' energy: -161.891 flat angles C4'-P-C4' energy: -155.147 flat angles P-C4'-P energy: -107.525 tors. eta vs tors. theta energy: -188.426 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: 5 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -2074.041263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.041263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.041263 (E_RNA) where: Base-Base interactions energy: -1401.500 where: short stacking energy: -585.933 Base-Backbone interact. energy: 4.257 local terms energy: -676.798708 where: bonds (distance) C4'-P energy: -134.862 bonds (distance) P-C4' energy: -141.521 flat angles C4'-P-C4' energy: -151.545 flat angles P-C4'-P energy: -99.031 tors. eta vs tors. theta energy: -149.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -2057.962689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.962689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.962689 (E_RNA) where: Base-Base interactions energy: -1360.487 where: short stacking energy: -601.059 Base-Backbone interact. energy: -1.686 local terms energy: -695.789595 where: bonds (distance) C4'-P energy: -131.797 bonds (distance) P-C4' energy: -148.073 flat angles C4'-P-C4' energy: -157.952 flat angles P-C4'-P energy: -95.252 tors. eta vs tors. theta energy: -162.715 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: 10 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1562.039534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.039534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.039534 (E_RNA) where: Base-Base interactions energy: -962.404 where: short stacking energy: -435.886 Base-Backbone interact. energy: -3.386 local terms energy: -596.249337 where: bonds (distance) C4'-P energy: -139.608 bonds (distance) P-C4' energy: -140.033 flat angles C4'-P-C4' energy: -151.207 flat angles P-C4'-P energy: -66.636 tors. eta vs tors. theta energy: -98.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1293.606678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.606678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.606678 (E_RNA) where: Base-Base interactions energy: -768.263 where: short stacking energy: -345.824 Base-Backbone interact. energy: 4.595 local terms energy: -529.938681 where: bonds (distance) C4'-P energy: -114.903 bonds (distance) P-C4' energy: -151.328 flat angles C4'-P-C4' energy: -131.872 flat angles P-C4'-P energy: -83.919 tors. eta vs tors. theta energy: -47.918 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: 7 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -864.982222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.982222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.982222 (E_RNA) where: Base-Base interactions energy: -402.438 where: short stacking energy: -238.593 Base-Backbone interact. energy: 6.330 local terms energy: -468.874205 where: bonds (distance) C4'-P energy: -146.171 bonds (distance) P-C4' energy: -120.431 flat angles C4'-P-C4' energy: -102.598 flat angles P-C4'-P energy: -88.874 tors. eta vs tors. theta energy: -10.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -605.624123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.624123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.624123 (E_RNA) where: Base-Base interactions energy: -235.238 where: short stacking energy: -187.734 Base-Backbone interact. energy: -0.318 local terms energy: -370.067478 where: bonds (distance) C4'-P energy: -108.741 bonds (distance) P-C4' energy: -145.883 flat angles C4'-P-C4' energy: -107.786 flat angles P-C4'-P energy: -40.838 tors. eta vs tors. theta energy: 33.181 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: 1, replica: 2 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -2793.349130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.349130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.349130 (E_RNA) where: Base-Base interactions energy: -1911.319 where: short stacking energy: -799.002 Base-Backbone interact. energy: -0.462 local terms energy: -881.568573 where: bonds (distance) C4'-P energy: -160.077 bonds (distance) P-C4' energy: -165.579 flat angles C4'-P-C4' energy: -189.640 flat angles P-C4'-P energy: -134.203 tors. eta vs tors. theta energy: -232.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -2618.185125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.185125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.185125 (E_RNA) where: Base-Base interactions energy: -1813.311 where: short stacking energy: -719.285 Base-Backbone interact. energy: -4.742 local terms energy: -800.132299 where: bonds (distance) C4'-P energy: -164.576 bonds (distance) P-C4' energy: -144.644 flat angles C4'-P-C4' energy: -171.858 flat angles P-C4'-P energy: -110.811 tors. eta vs tors. theta energy: -208.244 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: 4 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2470.545845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.545845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.545845 (E_RNA) where: Base-Base interactions energy: -1689.386 where: short stacking energy: -678.694 Base-Backbone interact. energy: -5.022 local terms energy: -776.137304 where: bonds (distance) C4'-P energy: -144.648 bonds (distance) P-C4' energy: -141.454 flat angles C4'-P-C4' energy: -165.206 flat angles P-C4'-P energy: -119.837 tors. eta vs tors. theta energy: -204.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -2399.223598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.223598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.223598 (E_RNA) where: Base-Base interactions energy: -1643.251 where: short stacking energy: -674.598 Base-Backbone interact. energy: -6.622 local terms energy: -749.350244 where: bonds (distance) C4'-P energy: -136.695 bonds (distance) P-C4' energy: -148.626 flat angles C4'-P-C4' energy: -175.126 flat angles P-C4'-P energy: -89.172 tors. eta vs tors. theta energy: -199.730 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: 5 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -2132.045712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.045712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.045712 (E_RNA) where: Base-Base interactions energy: -1419.673 where: short stacking energy: -636.703 Base-Backbone interact. energy: -1.085 local terms energy: -711.287693 where: bonds (distance) C4'-P energy: -136.113 bonds (distance) P-C4' energy: -137.907 flat angles C4'-P-C4' energy: -158.250 flat angles P-C4'-P energy: -107.511 tors. eta vs tors. theta energy: -171.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1999.351105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.351105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.351105 (E_RNA) where: Base-Base interactions energy: -1333.076 where: short stacking energy: -601.810 Base-Backbone interact. energy: -2.261 local terms energy: -664.014214 where: bonds (distance) C4'-P energy: -120.153 bonds (distance) P-C4' energy: -142.508 flat angles C4'-P-C4' energy: -157.075 flat angles P-C4'-P energy: -90.611 tors. eta vs tors. theta energy: -153.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1528.404687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.404687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.404687 (E_RNA) where: Base-Base interactions energy: -971.056 where: short stacking energy: -447.880 Base-Backbone interact. energy: 11.233 local terms energy: -568.581122 where: bonds (distance) C4'-P energy: -142.108 bonds (distance) P-C4' energy: -134.091 flat angles C4'-P-C4' energy: -123.282 flat angles P-C4'-P energy: -84.846 tors. eta vs tors. theta energy: -84.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1295.479262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.479262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.479262 (E_RNA) where: Base-Base interactions energy: -746.530 where: short stacking energy: -367.703 Base-Backbone interact. energy: 2.224 local terms energy: -551.172750 where: bonds (distance) C4'-P energy: -119.670 bonds (distance) P-C4' energy: -142.973 flat angles C4'-P-C4' energy: -143.475 flat angles P-C4'-P energy: -97.759 tors. eta vs tors. theta energy: -47.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -805.037242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.037242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.037242 (E_RNA) where: Base-Base interactions energy: -354.718 where: short stacking energy: -218.958 Base-Backbone interact. energy: -1.966 local terms energy: -448.352823 where: bonds (distance) C4'-P energy: -138.488 bonds (distance) P-C4' energy: -137.969 flat angles C4'-P-C4' energy: -100.941 flat angles P-C4'-P energy: -80.751 tors. eta vs tors. theta energy: 9.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -591.581136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.581136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.581136 (E_RNA) where: Base-Base interactions energy: -208.447 where: short stacking energy: -159.491 Base-Backbone interact. energy: 0.822 local terms energy: -383.956231 where: bonds (distance) C4'-P energy: -115.743 bonds (distance) P-C4' energy: -114.946 flat angles C4'-P-C4' energy: -108.859 flat angles P-C4'-P energy: -72.770 tors. eta vs tors. theta energy: 28.362 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: 2 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -2798.585000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.585000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.585000 (E_RNA) where: Base-Base interactions energy: -1926.040 where: short stacking energy: -826.664 Base-Backbone interact. energy: -3.435 local terms energy: -869.110735 where: bonds (distance) C4'-P energy: -161.459 bonds (distance) P-C4' energy: -160.710 flat angles C4'-P-C4' energy: -190.227 flat angles P-C4'-P energy: -122.427 tors. eta vs tors. theta energy: -234.287 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: 1 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -2617.663213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.663213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.663213 (E_RNA) where: Base-Base interactions energy: -1832.521 where: short stacking energy: -761.775 Base-Backbone interact. energy: -4.532 local terms energy: -780.610413 where: bonds (distance) C4'-P energy: -137.912 bonds (distance) P-C4' energy: -156.935 flat angles C4'-P-C4' energy: -180.112 flat angles P-C4'-P energy: -95.478 tors. eta vs tors. theta energy: -210.173 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: 3, replica: 4 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -2502.257825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.257825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.257825 (E_RNA) where: Base-Base interactions energy: -1722.519 where: short stacking energy: -730.541 Base-Backbone interact. energy: -4.161 local terms energy: -775.577787 where: bonds (distance) C4'-P energy: -114.905 bonds (distance) P-C4' energy: -166.916 flat angles C4'-P-C4' energy: -174.334 flat angles P-C4'-P energy: -114.922 tors. eta vs tors. theta energy: -204.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -2421.451985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.451985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.451985 (E_RNA) where: Base-Base interactions energy: -1655.118 where: short stacking energy: -683.788 Base-Backbone interact. energy: -4.829 local terms energy: -761.505488 where: bonds (distance) C4'-P energy: -146.802 bonds (distance) P-C4' energy: -163.823 flat angles C4'-P-C4' energy: -179.606 flat angles P-C4'-P energy: -96.162 tors. eta vs tors. theta energy: -175.113 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: 360 Temperature: 1.100000 Total energy: -2137.412569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.412569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.412569 (E_RNA) where: Base-Base interactions energy: -1448.669 where: short stacking energy: -629.377 Base-Backbone interact. energy: -3.144 local terms energy: -685.599842 where: bonds (distance) C4'-P energy: -143.802 bonds (distance) P-C4' energy: -131.409 flat angles C4'-P-C4' energy: -137.401 flat angles P-C4'-P energy: -108.591 tors. eta vs tors. theta energy: -164.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -2068.650956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.650956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.650956 (E_RNA) where: Base-Base interactions energy: -1352.965 where: short stacking energy: -595.604 Base-Backbone interact. energy: 2.205 local terms energy: -717.891468 where: bonds (distance) C4'-P energy: -148.538 bonds (distance) P-C4' energy: -146.482 flat angles C4'-P-C4' energy: -146.788 flat angles P-C4'-P energy: -107.860 tors. eta vs tors. theta energy: -168.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1574.498793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.498793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.498793 (E_RNA) where: Base-Base interactions energy: -978.166 where: short stacking energy: -421.298 Base-Backbone interact. energy: -1.276 local terms energy: -595.056674 where: bonds (distance) C4'-P energy: -133.656 bonds (distance) P-C4' energy: -148.037 flat angles C4'-P-C4' energy: -136.771 flat angles P-C4'-P energy: -81.510 tors. eta vs tors. theta energy: -95.083 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: 360 Temperature: 1.250000 Total energy: -1239.967492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.967492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.967492 (E_RNA) where: Base-Base interactions energy: -732.565 where: short stacking energy: -351.653 Base-Backbone interact. energy: -2.675 local terms energy: -504.727267 where: bonds (distance) C4'-P energy: -130.220 bonds (distance) P-C4' energy: -150.431 flat angles C4'-P-C4' energy: -128.291 flat angles P-C4'-P energy: -67.851 tors. eta vs tors. theta energy: -27.934 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: 9, replica: 7 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -849.126777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.126777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.126777 (E_RNA) where: Base-Base interactions energy: -404.611 where: short stacking energy: -253.873 Base-Backbone interact. energy: 1.743 local terms energy: -446.258566 where: bonds (distance) C4'-P energy: -127.594 bonds (distance) P-C4' energy: -134.864 flat angles C4'-P-C4' energy: -133.950 flat angles P-C4'-P energy: -54.068 tors. eta vs tors. theta energy: 4.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -613.955324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.955324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.955324 (E_RNA) where: Base-Base interactions energy: -223.750 where: short stacking energy: -176.321 Base-Backbone interact. energy: -2.578 local terms energy: -387.627199 where: bonds (distance) C4'-P energy: -99.113 bonds (distance) P-C4' energy: -136.533 flat angles C4'-P-C4' energy: -131.320 flat angles P-C4'-P energy: -45.566 tors. eta vs tors. theta energy: 24.904 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: 1, replica: 2 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -2817.838956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.838956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.838956 (E_RNA) where: Base-Base interactions energy: -1944.329 where: short stacking energy: -820.716 Base-Backbone interact. energy: -3.322 local terms energy: -870.187657 where: bonds (distance) C4'-P energy: -162.981 bonds (distance) P-C4' energy: -160.311 flat angles C4'-P-C4' energy: -177.712 flat angles P-C4'-P energy: -137.516 tors. eta vs tors. theta energy: -231.668 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: 2, replica: 1 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -2631.702000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.702000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.702000 (E_RNA) where: Base-Base interactions energy: -1826.945 where: short stacking energy: -770.948 Base-Backbone interact. energy: 0.495 local terms energy: -805.251641 where: bonds (distance) C4'-P energy: -145.061 bonds (distance) P-C4' energy: -154.705 flat angles C4'-P-C4' energy: -173.465 flat angles P-C4'-P energy: -116.475 tors. eta vs tors. theta energy: -215.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2480.579027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.579027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.579027 (E_RNA) where: Base-Base interactions energy: -1690.311 where: short stacking energy: -718.497 Base-Backbone interact. energy: -2.708 local terms energy: -787.560726 where: bonds (distance) C4'-P energy: -150.154 bonds (distance) P-C4' energy: -147.568 flat angles C4'-P-C4' energy: -167.604 flat angles P-C4'-P energy: -114.609 tors. eta vs tors. theta energy: -207.626 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: 8 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -2430.427515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.427515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.427515 (E_RNA) where: Base-Base interactions energy: -1685.011 where: short stacking energy: -702.065 Base-Backbone interact. energy: 1.669 local terms energy: -747.086235 where: bonds (distance) C4'-P energy: -158.763 bonds (distance) P-C4' energy: -126.380 flat angles C4'-P-C4' energy: -165.089 flat angles P-C4'-P energy: -99.281 tors. eta vs tors. theta energy: -197.573 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: 361 Temperature: 1.100000 Total energy: -2139.476666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.476666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.476666 (E_RNA) where: Base-Base interactions energy: -1388.697 where: short stacking energy: -616.191 Base-Backbone interact. energy: -3.338 local terms energy: -747.441492 where: bonds (distance) C4'-P energy: -152.959 bonds (distance) P-C4' energy: -142.385 flat angles C4'-P-C4' energy: -177.805 flat angles P-C4'-P energy: -105.990 tors. eta vs tors. theta energy: -168.303 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: 6 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -2068.490515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.490515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.490515 (E_RNA) where: Base-Base interactions energy: -1354.451 where: short stacking energy: -589.798 Base-Backbone interact. energy: -4.348 local terms energy: -709.691078 where: bonds (distance) C4'-P energy: -144.378 bonds (distance) P-C4' energy: -154.002 flat angles C4'-P-C4' energy: -163.047 flat angles P-C4'-P energy: -87.367 tors. eta vs tors. theta energy: -160.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1590.506136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.506136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.506136 (E_RNA) where: Base-Base interactions energy: -998.779 where: short stacking energy: -467.826 Base-Backbone interact. energy: 4.415 local terms energy: -596.142235 where: bonds (distance) C4'-P energy: -149.668 bonds (distance) P-C4' energy: -150.477 flat angles C4'-P-C4' energy: -141.530 flat angles P-C4'-P energy: -53.741 tors. eta vs tors. theta energy: -100.726 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: 8, replica: 3 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1238.616409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.616409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.616409 (E_RNA) where: Base-Base interactions energy: -728.045 where: short stacking energy: -364.298 Base-Backbone interact. energy: -0.132 local terms energy: -510.438621 where: bonds (distance) C4'-P energy: -122.499 bonds (distance) P-C4' energy: -129.188 flat angles C4'-P-C4' energy: -136.599 flat angles P-C4'-P energy: -73.875 tors. eta vs tors. theta energy: -48.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -736.934744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.934744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.934744 (E_RNA) where: Base-Base interactions energy: -285.313 where: short stacking energy: -189.210 Base-Backbone interact. energy: 0.152 local terms energy: -451.774072 where: bonds (distance) C4'-P energy: -125.712 bonds (distance) P-C4' energy: -140.318 flat angles C4'-P-C4' energy: -126.312 flat angles P-C4'-P energy: -77.185 tors. eta vs tors. theta energy: 17.754 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: 9 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -589.598551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.598551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.598551 (E_RNA) where: Base-Base interactions energy: -216.606 where: short stacking energy: -161.682 Base-Backbone interact. energy: 2.619 local terms energy: -375.611425 where: bonds (distance) C4'-P energy: -136.440 bonds (distance) P-C4' energy: -127.162 flat angles C4'-P-C4' energy: -103.740 flat angles P-C4'-P energy: -48.095 tors. eta vs tors. theta energy: 39.825 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: 2 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -2813.054602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.054602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.054602 (E_RNA) where: Base-Base interactions energy: -1933.298 where: short stacking energy: -825.478 Base-Backbone interact. energy: -3.078 local terms energy: -876.679266 where: bonds (distance) C4'-P energy: -158.562 bonds (distance) P-C4' energy: -174.046 flat angles C4'-P-C4' energy: -192.288 flat angles P-C4'-P energy: -112.216 tors. eta vs tors. theta energy: -239.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -2628.096446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.096446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.096446 (E_RNA) where: Base-Base interactions energy: -1820.247 where: short stacking energy: -742.842 Base-Backbone interact. energy: -5.721 local terms energy: -802.128319 where: bonds (distance) C4'-P energy: -166.590 bonds (distance) P-C4' energy: -147.689 flat angles C4'-P-C4' energy: -176.183 flat angles P-C4'-P energy: -107.676 tors. eta vs tors. theta energy: -203.991 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: 4 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -2512.377661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.377661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.377661 (E_RNA) where: Base-Base interactions energy: -1707.106 where: short stacking energy: -743.243 Base-Backbone interact. energy: -5.383 local terms energy: -799.888873 where: bonds (distance) C4'-P energy: -151.364 bonds (distance) P-C4' energy: -136.332 flat angles C4'-P-C4' energy: -169.762 flat angles P-C4'-P energy: -114.160 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: 4, replica: 8 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -2462.493407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.493407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.493407 (E_RNA) where: Base-Base interactions energy: -1701.763 where: short stacking energy: -699.057 Base-Backbone interact. energy: -3.110 local terms energy: -757.620689 where: bonds (distance) C4'-P energy: -145.637 bonds (distance) P-C4' energy: -147.468 flat angles C4'-P-C4' energy: -160.326 flat angles P-C4'-P energy: -107.270 tors. eta vs tors. theta energy: -196.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -2185.339080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.339080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.339080 (E_RNA) where: Base-Base interactions energy: -1457.596 where: short stacking energy: -668.280 Base-Backbone interact. energy: -4.861 local terms energy: -722.882579 where: bonds (distance) C4'-P energy: -133.078 bonds (distance) P-C4' energy: -123.384 flat angles C4'-P-C4' energy: -162.461 flat angles P-C4'-P energy: -112.646 tors. eta vs tors. theta energy: -191.314 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: 6, replica: 6 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -2014.754126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.754126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.754126 (E_RNA) where: Base-Base interactions energy: -1358.419 where: short stacking energy: -587.767 Base-Backbone interact. energy: 1.362 local terms energy: -657.697523 where: bonds (distance) C4'-P energy: -136.839 bonds (distance) P-C4' energy: -112.168 flat angles C4'-P-C4' energy: -162.106 flat angles P-C4'-P energy: -79.819 tors. eta vs tors. theta energy: -166.766 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: 10 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1585.640978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.640978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.640978 (E_RNA) where: Base-Base interactions energy: -1017.005 where: short stacking energy: -486.743 Base-Backbone interact. energy: 4.644 local terms energy: -573.280889 where: bonds (distance) C4'-P energy: -119.697 bonds (distance) P-C4' energy: -122.930 flat angles C4'-P-C4' energy: -151.167 flat angles P-C4'-P energy: -72.929 tors. eta vs tors. theta energy: -106.557 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: 3 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1285.693117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.693117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.693117 (E_RNA) where: Base-Base interactions energy: -732.198 where: short stacking energy: -407.791 Base-Backbone interact. energy: -3.577 local terms energy: -549.918438 where: bonds (distance) C4'-P energy: -121.842 bonds (distance) P-C4' energy: -152.563 flat angles C4'-P-C4' energy: -123.448 flat angles P-C4'-P energy: -89.454 tors. eta vs tors. theta energy: -62.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -725.941251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.941251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.941251 (E_RNA) where: Base-Base interactions energy: -288.451 where: short stacking energy: -207.434 Base-Backbone interact. energy: 1.197 local terms energy: -438.687731 where: bonds (distance) C4'-P energy: -112.953 bonds (distance) P-C4' energy: -137.129 flat angles C4'-P-C4' energy: -127.512 flat angles P-C4'-P energy: -74.894 tors. eta vs tors. theta energy: 13.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -620.378177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.378177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.378177 (E_RNA) where: Base-Base interactions energy: -222.762 where: short stacking energy: -181.049 Base-Backbone interact. energy: 3.888 local terms energy: -401.504542 where: bonds (distance) C4'-P energy: -122.721 bonds (distance) P-C4' energy: -135.378 flat angles C4'-P-C4' energy: -106.828 flat angles P-C4'-P energy: -66.501 tors. eta vs tors. theta energy: 29.924 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: 1, replica: 2 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -2806.278369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.278369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.278369 (E_RNA) where: Base-Base interactions energy: -1932.296 where: short stacking energy: -819.698 Base-Backbone interact. energy: -4.161 local terms energy: -869.821070 where: bonds (distance) C4'-P energy: -163.850 bonds (distance) P-C4' energy: -148.980 flat angles C4'-P-C4' energy: -176.878 flat angles P-C4'-P energy: -134.731 tors. eta vs tors. theta energy: -245.382 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: 2, replica: 1 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -2586.397221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.397221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.397221 (E_RNA) where: Base-Base interactions energy: -1805.504 where: short stacking energy: -752.519 Base-Backbone interact. energy: -2.658 local terms energy: -778.234491 where: bonds (distance) C4'-P energy: -164.917 bonds (distance) P-C4' energy: -146.033 flat angles C4'-P-C4' energy: -167.904 flat angles P-C4'-P energy: -87.913 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: 3, replica: 4 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2537.410317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.410317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.410317 (E_RNA) where: Base-Base interactions energy: -1752.218 where: short stacking energy: -721.421 Base-Backbone interact. energy: -3.726 local terms energy: -781.466172 where: bonds (distance) C4'-P energy: -156.737 bonds (distance) P-C4' energy: -152.255 flat angles C4'-P-C4' energy: -165.530 flat angles P-C4'-P energy: -116.288 tors. eta vs tors. theta energy: -190.656 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: 8 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -2480.644353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.644353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.644353 (E_RNA) where: Base-Base interactions energy: -1700.670 where: short stacking energy: -723.415 Base-Backbone interact. energy: -4.968 local terms energy: -775.007082 where: bonds (distance) C4'-P energy: -146.250 bonds (distance) P-C4' energy: -157.743 flat angles C4'-P-C4' energy: -171.642 flat angles P-C4'-P energy: -101.121 tors. eta vs tors. theta energy: -198.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -2241.972673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.972673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.972673 (E_RNA) where: Base-Base interactions energy: -1483.765 where: short stacking energy: -690.439 Base-Backbone interact. energy: -1.808 local terms energy: -756.399444 where: bonds (distance) C4'-P energy: -139.237 bonds (distance) P-C4' energy: -156.743 flat angles C4'-P-C4' energy: -156.460 flat angles P-C4'-P energy: -104.173 tors. eta vs tors. theta energy: -199.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -2091.163461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.163461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.163461 (E_RNA) where: Base-Base interactions energy: -1428.538 where: short stacking energy: -617.722 Base-Backbone interact. energy: -2.762 local terms energy: -659.863438 where: bonds (distance) C4'-P energy: -131.686 bonds (distance) P-C4' energy: -128.062 flat angles C4'-P-C4' energy: -158.606 flat angles P-C4'-P energy: -75.325 tors. eta vs tors. theta energy: -166.185 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: 10 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1660.682315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.682315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.682315 (E_RNA) where: Base-Base interactions energy: -1051.683 where: short stacking energy: -456.409 Base-Backbone interact. energy: 3.803 local terms energy: -612.802068 where: bonds (distance) C4'-P energy: -138.187 bonds (distance) P-C4' energy: -136.094 flat angles C4'-P-C4' energy: -143.027 flat angles P-C4'-P energy: -102.309 tors. eta vs tors. theta energy: -93.185 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: 8, replica: 3 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1294.270635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.270635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.270635 (E_RNA) where: Base-Base interactions energy: -770.106 where: short stacking energy: -369.138 Base-Backbone interact. energy: 0.834 local terms energy: -524.998414 where: bonds (distance) C4'-P energy: -127.775 bonds (distance) P-C4' energy: -138.426 flat angles C4'-P-C4' energy: -118.251 flat angles P-C4'-P energy: -79.017 tors. eta vs tors. theta energy: -61.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -847.614965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.614965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.614965 (E_RNA) where: Base-Base interactions energy: -400.533 where: short stacking energy: -246.838 Base-Backbone interact. energy: 1.146 local terms energy: -448.228061 where: bonds (distance) C4'-P energy: -98.698 bonds (distance) P-C4' energy: -133.392 flat angles C4'-P-C4' energy: -138.416 flat angles P-C4'-P energy: -70.698 tors. eta vs tors. theta energy: -7.023 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: 9 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -593.177909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.177909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.177909 (E_RNA) where: Base-Base interactions energy: -227.504 where: short stacking energy: -177.419 Base-Backbone interact. energy: 1.001 local terms energy: -366.675274 where: bonds (distance) C4'-P energy: -106.695 bonds (distance) P-C4' energy: -135.233 flat angles C4'-P-C4' energy: -111.056 flat angles P-C4'-P energy: -56.170 tors. eta vs tors. theta energy: 42.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -2798.674542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.674542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.674542 (E_RNA) where: Base-Base interactions energy: -1945.469 where: short stacking energy: -808.887 Base-Backbone interact. energy: 2.712 local terms energy: -855.917570 where: bonds (distance) C4'-P energy: -161.002 bonds (distance) P-C4' energy: -145.986 flat angles C4'-P-C4' energy: -191.016 flat angles P-C4'-P energy: -119.510 tors. eta vs tors. theta energy: -238.405 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: 2, replica: 1 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -2591.227940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.227940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.227940 (E_RNA) where: Base-Base interactions energy: -1805.858 where: short stacking energy: -739.407 Base-Backbone interact. energy: -5.764 local terms energy: -779.606203 where: bonds (distance) C4'-P energy: -136.847 bonds (distance) P-C4' energy: -148.540 flat angles C4'-P-C4' energy: -177.722 flat angles P-C4'-P energy: -113.288 tors. eta vs tors. theta energy: -203.211 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: 3, replica: 4 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2553.383193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.383193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.383193 (E_RNA) where: Base-Base interactions energy: -1784.341 where: short stacking energy: -728.476 Base-Backbone interact. energy: 2.700 local terms energy: -771.742829 where: bonds (distance) C4'-P energy: -147.189 bonds (distance) P-C4' energy: -142.128 flat angles C4'-P-C4' energy: -166.147 flat angles P-C4'-P energy: -117.882 tors. eta vs tors. theta energy: -198.396 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: 8 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -2440.220703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.220703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.220703 (E_RNA) where: Base-Base interactions energy: -1671.191 where: short stacking energy: -715.674 Base-Backbone interact. energy: 3.505 local terms energy: -772.534574 where: bonds (distance) C4'-P energy: -141.043 bonds (distance) P-C4' energy: -143.333 flat angles C4'-P-C4' energy: -156.599 flat angles P-C4'-P energy: -110.172 tors. eta vs tors. theta energy: -221.388 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: 5, replica: 5 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -2173.310396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.310396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.310396 (E_RNA) where: Base-Base interactions energy: -1455.838 where: short stacking energy: -633.828 Base-Backbone interact. energy: 4.662 local terms energy: -722.134194 where: bonds (distance) C4'-P energy: -131.045 bonds (distance) P-C4' energy: -144.773 flat angles C4'-P-C4' energy: -161.169 flat angles P-C4'-P energy: -100.180 tors. eta vs tors. theta energy: -184.967 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: 6, replica: 6 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -2035.768379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.768379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.768379 (E_RNA) where: Base-Base interactions energy: -1375.811 where: short stacking energy: -616.818 Base-Backbone interact. energy: 0.730 local terms energy: -660.687491 where: bonds (distance) C4'-P energy: -135.046 bonds (distance) P-C4' energy: -145.665 flat angles C4'-P-C4' energy: -150.096 flat angles P-C4'-P energy: -89.071 tors. eta vs tors. theta energy: -140.810 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: 10 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1616.359145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.359145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.359145 (E_RNA) where: Base-Base interactions energy: -1023.749 where: short stacking energy: -480.251 Base-Backbone interact. energy: -1.062 local terms energy: -591.548313 where: bonds (distance) C4'-P energy: -106.824 bonds (distance) P-C4' energy: -149.519 flat angles C4'-P-C4' energy: -143.336 flat angles P-C4'-P energy: -80.402 tors. eta vs tors. theta energy: -111.469 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: 8, replica: 3 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1211.006888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.006888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.006888 (E_RNA) where: Base-Base interactions energy: -699.762 where: short stacking energy: -332.999 Base-Backbone interact. energy: 0.322 local terms energy: -511.566437 where: bonds (distance) C4'-P energy: -121.292 bonds (distance) P-C4' energy: -142.372 flat angles C4'-P-C4' energy: -122.722 flat angles P-C4'-P energy: -84.278 tors. eta vs tors. theta energy: -40.902 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: 9, replica: 7 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -848.465274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.465274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.465274 (E_RNA) where: Base-Base interactions energy: -406.697 where: short stacking energy: -237.154 Base-Backbone interact. energy: 5.801 local terms energy: -447.569258 where: bonds (distance) C4'-P energy: -131.917 bonds (distance) P-C4' energy: -137.692 flat angles C4'-P-C4' energy: -101.186 flat angles P-C4'-P energy: -79.549 tors. eta vs tors. theta energy: 2.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -713.071636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.071636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.071636 (E_RNA) where: Base-Base interactions energy: -308.210 where: short stacking energy: -180.113 Base-Backbone interact. energy: -0.360 local terms energy: -404.501094 where: bonds (distance) C4'-P energy: -141.004 bonds (distance) P-C4' energy: -142.966 flat angles C4'-P-C4' energy: -89.013 flat angles P-C4'-P energy: -56.804 tors. eta vs tors. theta energy: 25.285 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: 2 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -2818.380503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.380503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.380503 (E_RNA) where: Base-Base interactions energy: -1948.024 where: short stacking energy: -817.031 Base-Backbone interact. energy: -1.239 local terms energy: -869.117050 where: bonds (distance) C4'-P energy: -142.673 bonds (distance) P-C4' energy: -169.984 flat angles C4'-P-C4' energy: -188.363 flat angles P-C4'-P energy: -121.218 tors. eta vs tors. theta energy: -246.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -2553.321712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.321712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.321712 (E_RNA) where: Base-Base interactions energy: -1735.104 where: short stacking energy: -749.000 Base-Backbone interact. energy: 0.978 local terms energy: -819.195090 where: bonds (distance) C4'-P energy: -150.405 bonds (distance) P-C4' energy: -163.550 flat angles C4'-P-C4' energy: -184.388 flat angles P-C4'-P energy: -118.288 tors. eta vs tors. theta energy: -202.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2477.325685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.325685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.325685 (E_RNA) where: Base-Base interactions energy: -1711.203 where: short stacking energy: -713.673 Base-Backbone interact. energy: -2.033 local terms energy: -764.089263 where: bonds (distance) C4'-P energy: -129.749 bonds (distance) P-C4' energy: -148.136 flat angles C4'-P-C4' energy: -168.974 flat angles P-C4'-P energy: -121.328 tors. eta vs tors. theta energy: -195.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -2390.692350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.692350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.692350 (E_RNA) where: Base-Base interactions energy: -1657.009 where: short stacking energy: -716.390 Base-Backbone interact. energy: -3.099 local terms energy: -730.584232 where: bonds (distance) C4'-P energy: -112.316 bonds (distance) P-C4' energy: -143.424 flat angles C4'-P-C4' energy: -163.420 flat angles P-C4'-P energy: -109.650 tors. eta vs tors. theta energy: -201.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -2203.155697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.155697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.155697 (E_RNA) where: Base-Base interactions energy: -1463.550 where: short stacking energy: -627.581 Base-Backbone interact. energy: 0.626 local terms energy: -740.231309 where: bonds (distance) C4'-P energy: -150.605 bonds (distance) P-C4' energy: -143.995 flat angles C4'-P-C4' energy: -167.887 flat angles P-C4'-P energy: -99.949 tors. eta vs tors. theta energy: -177.795 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: 6 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -2048.982149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.982149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.982149 (E_RNA) where: Base-Base interactions energy: -1377.937 where: short stacking energy: -577.376 Base-Backbone interact. energy: -1.279 local terms energy: -669.766072 where: bonds (distance) C4'-P energy: -132.418 bonds (distance) P-C4' energy: -121.438 flat angles C4'-P-C4' energy: -170.452 flat angles P-C4'-P energy: -99.011 tors. eta vs tors. theta energy: -146.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1571.614009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.614009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.614009 (E_RNA) where: Base-Base interactions energy: -981.088 where: short stacking energy: -440.390 Base-Backbone interact. energy: -1.187 local terms energy: -589.339015 where: bonds (distance) C4'-P energy: -141.018 bonds (distance) P-C4' energy: -134.318 flat angles C4'-P-C4' energy: -120.302 flat angles P-C4'-P energy: -87.958 tors. eta vs tors. theta energy: -105.743 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: 365 Temperature: 1.250000 Total energy: -1243.849479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.849479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.849479 (E_RNA) where: Base-Base interactions energy: -774.210 where: short stacking energy: -354.976 Base-Backbone interact. energy: -0.539 local terms energy: -469.100046 where: bonds (distance) C4'-P energy: -117.006 bonds (distance) P-C4' energy: -120.505 flat angles C4'-P-C4' energy: -118.343 flat angles P-C4'-P energy: -75.902 tors. eta vs tors. theta energy: -37.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -852.585596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.585596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.585596 (E_RNA) where: Base-Base interactions energy: -407.506 where: short stacking energy: -236.752 Base-Backbone interact. energy: 7.938 local terms energy: -453.017755 where: bonds (distance) C4'-P energy: -141.581 bonds (distance) P-C4' energy: -148.598 flat angles C4'-P-C4' energy: -111.915 flat angles P-C4'-P energy: -60.791 tors. eta vs tors. theta energy: 9.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -747.572056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.572056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.572056 (E_RNA) where: Base-Base interactions energy: -323.587 where: short stacking energy: -216.504 Base-Backbone interact. energy: 5.342 local terms energy: -429.326854 where: bonds (distance) C4'-P energy: -125.079 bonds (distance) P-C4' energy: -137.788 flat angles C4'-P-C4' energy: -127.740 flat angles P-C4'-P energy: -51.680 tors. eta vs tors. theta energy: 12.961 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: 2 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -2813.573928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.573928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.573928 (E_RNA) where: Base-Base interactions energy: -1937.881 where: short stacking energy: -840.208 Base-Backbone interact. energy: -0.913 local terms energy: -874.780072 where: bonds (distance) C4'-P energy: -158.142 bonds (distance) P-C4' energy: -160.817 flat angles C4'-P-C4' energy: -192.504 flat angles P-C4'-P energy: -116.914 tors. eta vs tors. theta energy: -246.403 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: 366 Temperature: 0.950000 Total energy: -2625.540389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.540389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.540389 (E_RNA) where: Base-Base interactions energy: -1778.209 where: short stacking energy: -777.701 Base-Backbone interact. energy: 3.505 local terms energy: -850.836308 where: bonds (distance) C4'-P energy: -160.249 bonds (distance) P-C4' energy: -154.902 flat angles C4'-P-C4' energy: -192.141 flat angles P-C4'-P energy: -120.001 tors. eta vs tors. theta energy: -223.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2527.265535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.265535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.265535 (E_RNA) where: Base-Base interactions energy: -1744.514 where: short stacking energy: -717.125 Base-Backbone interact. energy: -0.920 local terms energy: -781.831542 where: bonds (distance) C4'-P energy: -143.653 bonds (distance) P-C4' energy: -144.455 flat angles C4'-P-C4' energy: -181.203 flat angles P-C4'-P energy: -102.724 tors. eta vs tors. theta energy: -209.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -2375.657491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.657491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.657491 (E_RNA) where: Base-Base interactions energy: -1600.328 where: short stacking energy: -669.320 Base-Backbone interact. energy: 3.329 local terms energy: -778.658332 where: bonds (distance) C4'-P energy: -142.947 bonds (distance) P-C4' energy: -147.358 flat angles C4'-P-C4' energy: -168.110 flat angles P-C4'-P energy: -117.317 tors. eta vs tors. theta energy: -202.926 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: 5, replica: 5 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -2160.896759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.896759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.896759 (E_RNA) where: Base-Base interactions energy: -1423.506 where: short stacking energy: -629.264 Base-Backbone interact. energy: 7.599 local terms energy: -744.989874 where: bonds (distance) C4'-P energy: -146.310 bonds (distance) P-C4' energy: -152.854 flat angles C4'-P-C4' energy: -167.147 flat angles P-C4'-P energy: -109.156 tors. eta vs tors. theta energy: -169.523 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: 6 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -2065.968419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.968419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.968419 (E_RNA) where: Base-Base interactions energy: -1362.373 where: short stacking energy: -606.138 Base-Backbone interact. energy: -2.576 local terms energy: -701.019462 where: bonds (distance) C4'-P energy: -127.870 bonds (distance) P-C4' energy: -150.883 flat angles C4'-P-C4' energy: -161.697 flat angles P-C4'-P energy: -89.925 tors. eta vs tors. theta energy: -170.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1654.794779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.794779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.794779 (E_RNA) where: Base-Base interactions energy: -1054.366 where: short stacking energy: -477.497 Base-Backbone interact. energy: -2.502 local terms energy: -597.927255 where: bonds (distance) C4'-P energy: -138.882 bonds (distance) P-C4' energy: -123.957 flat angles C4'-P-C4' energy: -150.224 flat angles P-C4'-P energy: -88.138 tors. eta vs tors. theta energy: -96.726 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: 8, replica: 3 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1234.326516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.326516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.326516 (E_RNA) where: Base-Base interactions energy: -725.017 where: short stacking energy: -361.836 Base-Backbone interact. energy: -1.645 local terms energy: -507.664554 where: bonds (distance) C4'-P energy: -128.912 bonds (distance) P-C4' energy: -123.527 flat angles C4'-P-C4' energy: -121.519 flat angles P-C4'-P energy: -85.357 tors. eta vs tors. theta energy: -48.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -976.275681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.275681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.275681 (E_RNA) where: Base-Base interactions energy: -491.775 where: short stacking energy: -279.000 Base-Backbone interact. energy: 0.142 local terms energy: -484.642477 where: bonds (distance) C4'-P energy: -123.469 bonds (distance) P-C4' energy: -149.800 flat angles C4'-P-C4' energy: -148.428 flat angles P-C4'-P energy: -64.291 tors. eta vs tors. theta energy: 1.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -879.090707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.090707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.090707 (E_RNA) where: Base-Base interactions energy: -425.391 where: short stacking energy: -258.264 Base-Backbone interact. energy: 3.076 local terms energy: -456.775946 where: bonds (distance) C4'-P energy: -134.795 bonds (distance) P-C4' energy: -105.517 flat angles C4'-P-C4' energy: -128.348 flat angles P-C4'-P energy: -75.001 tors. eta vs tors. theta energy: -13.116 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: 2 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -2784.299337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.299337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.299337 (E_RNA) where: Base-Base interactions energy: -1930.461 where: short stacking energy: -802.479 Base-Backbone interact. energy: 0.785 local terms energy: -854.623232 where: bonds (distance) C4'-P energy: -160.696 bonds (distance) P-C4' energy: -164.675 flat angles C4'-P-C4' energy: -182.925 flat angles P-C4'-P energy: -109.652 tors. eta vs tors. theta energy: -236.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -2556.826163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.826163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.826163 (E_RNA) where: Base-Base interactions energy: -1749.380 where: short stacking energy: -746.637 Base-Backbone interact. energy: -1.817 local terms energy: -805.628748 where: bonds (distance) C4'-P energy: -153.937 bonds (distance) P-C4' energy: -154.040 flat angles C4'-P-C4' energy: -167.556 flat angles P-C4'-P energy: -107.911 tors. eta vs tors. theta energy: -222.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -2497.703949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.703949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.703949 (E_RNA) where: Base-Base interactions energy: -1705.079 where: short stacking energy: -703.645 Base-Backbone interact. energy: 4.080 local terms energy: -796.704891 where: bonds (distance) C4'-P energy: -151.503 bonds (distance) P-C4' energy: -167.353 flat angles C4'-P-C4' energy: -172.712 flat angles P-C4'-P energy: -99.029 tors. eta vs tors. theta energy: -206.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -2399.132631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.132631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.132631 (E_RNA) where: Base-Base interactions energy: -1597.144 where: short stacking energy: -688.059 Base-Backbone interact. energy: -5.531 local terms energy: -796.458042 where: bonds (distance) C4'-P energy: -146.146 bonds (distance) P-C4' energy: -149.761 flat angles C4'-P-C4' energy: -178.771 flat angles P-C4'-P energy: -119.591 tors. eta vs tors. theta energy: -202.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -2167.011876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.011876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.011876 (E_RNA) where: Base-Base interactions energy: -1421.551 where: short stacking energy: -636.671 Base-Backbone interact. energy: -0.619 local terms energy: -744.841816 where: bonds (distance) C4'-P energy: -144.301 bonds (distance) P-C4' energy: -144.827 flat angles C4'-P-C4' energy: -167.385 flat angles P-C4'-P energy: -111.805 tors. eta vs tors. theta energy: -176.523 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: 6 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1967.651573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.651573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.651573 (E_RNA) where: Base-Base interactions energy: -1333.546 where: short stacking energy: -584.623 Base-Backbone interact. energy: -3.000 local terms energy: -631.105707 where: bonds (distance) C4'-P energy: -130.378 bonds (distance) P-C4' energy: -124.955 flat angles C4'-P-C4' energy: -145.727 flat angles P-C4'-P energy: -94.181 tors. eta vs tors. theta energy: -135.865 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: 10 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1616.195436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.195436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.195436 (E_RNA) where: Base-Base interactions energy: -1016.164 where: short stacking energy: -471.714 Base-Backbone interact. energy: 1.753 local terms energy: -601.784539 where: bonds (distance) C4'-P energy: -133.366 bonds (distance) P-C4' energy: -145.819 flat angles C4'-P-C4' energy: -143.873 flat angles P-C4'-P energy: -98.637 tors. eta vs tors. theta energy: -80.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1336.136708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.136708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.136708 (E_RNA) where: Base-Base interactions energy: -791.435 where: short stacking energy: -372.465 Base-Backbone interact. energy: -1.286 local terms energy: -543.415607 where: bonds (distance) C4'-P energy: -141.282 bonds (distance) P-C4' energy: -130.921 flat angles C4'-P-C4' energy: -133.413 flat angles P-C4'-P energy: -82.176 tors. eta vs tors. theta energy: -55.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -937.061921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.061921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.061921 (E_RNA) where: Base-Base interactions energy: -486.056 where: short stacking energy: -260.290 Base-Backbone interact. energy: -2.694 local terms energy: -448.311893 where: bonds (distance) C4'-P energy: -143.673 bonds (distance) P-C4' energy: -128.989 flat angles C4'-P-C4' energy: -107.783 flat angles P-C4'-P energy: -70.146 tors. eta vs tors. theta energy: 2.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -819.054627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.054627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.054627 (E_RNA) where: Base-Base interactions energy: -399.894 where: short stacking energy: -232.872 Base-Backbone interact. energy: -0.689 local terms energy: -418.471838 where: bonds (distance) C4'-P energy: -132.705 bonds (distance) P-C4' energy: -124.410 flat angles C4'-P-C4' energy: -81.320 flat angles P-C4'-P energy: -95.228 tors. eta vs tors. theta energy: 15.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -2788.209985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.209985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.209985 (E_RNA) where: Base-Base interactions energy: -1944.982 where: short stacking energy: -781.681 Base-Backbone interact. energy: -7.222 local terms energy: -836.005424 where: bonds (distance) C4'-P energy: -158.460 bonds (distance) P-C4' energy: -147.741 flat angles C4'-P-C4' energy: -184.279 flat angles P-C4'-P energy: -108.045 tors. eta vs tors. theta energy: -237.480 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: 2, replica: 4 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -2551.536696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.536696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.536696 (E_RNA) where: Base-Base interactions energy: -1745.703 where: short stacking energy: -746.034 Base-Backbone interact. energy: -1.980 local terms energy: -803.853936 where: bonds (distance) C4'-P energy: -143.243 bonds (distance) P-C4' energy: -159.442 flat angles C4'-P-C4' energy: -172.616 flat angles P-C4'-P energy: -124.536 tors. eta vs tors. theta energy: -204.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -2528.868561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.868561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.868561 (E_RNA) where: Base-Base interactions energy: -1753.598 where: short stacking energy: -711.943 Base-Backbone interact. energy: -4.470 local terms energy: -770.801182 where: bonds (distance) C4'-P energy: -130.452 bonds (distance) P-C4' energy: -149.564 flat angles C4'-P-C4' energy: -175.939 flat angles P-C4'-P energy: -116.826 tors. eta vs tors. theta energy: -198.020 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: 8 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -2376.566247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.566247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.566247 (E_RNA) where: Base-Base interactions energy: -1626.665 where: short stacking energy: -686.833 Base-Backbone interact. energy: 1.231 local terms energy: -751.131741 where: bonds (distance) C4'-P energy: -135.655 bonds (distance) P-C4' energy: -144.977 flat angles C4'-P-C4' energy: -171.274 flat angles P-C4'-P energy: -120.555 tors. eta vs tors. theta energy: -178.671 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: 5, replica: 5 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -2176.649727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.649727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.649727 (E_RNA) where: Base-Base interactions energy: -1417.375 where: short stacking energy: -639.943 Base-Backbone interact. energy: -2.328 local terms energy: -756.945999 where: bonds (distance) C4'-P energy: -132.085 bonds (distance) P-C4' energy: -172.075 flat angles C4'-P-C4' energy: -167.896 flat angles P-C4'-P energy: -96.578 tors. eta vs tors. theta energy: -188.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -2040.917802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.917802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.917802 (E_RNA) where: Base-Base interactions energy: -1395.824 where: short stacking energy: -587.163 Base-Backbone interact. energy: -2.448 local terms energy: -642.645301 where: bonds (distance) C4'-P energy: -129.864 bonds (distance) P-C4' energy: -128.356 flat angles C4'-P-C4' energy: -144.848 flat angles P-C4'-P energy: -87.488 tors. eta vs tors. theta energy: -152.088 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: 10 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1615.804748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.804748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.804748 (E_RNA) where: Base-Base interactions energy: -1029.203 where: short stacking energy: -451.366 Base-Backbone interact. energy: 8.831 local terms energy: -595.432611 where: bonds (distance) C4'-P energy: -132.246 bonds (distance) P-C4' energy: -155.758 flat angles C4'-P-C4' energy: -152.789 flat angles P-C4'-P energy: -80.289 tors. eta vs tors. theta energy: -74.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1312.104179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.104179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.104179 (E_RNA) where: Base-Base interactions energy: -785.783 where: short stacking energy: -353.901 Base-Backbone interact. energy: 3.375 local terms energy: -529.696895 where: bonds (distance) C4'-P energy: -133.711 bonds (distance) P-C4' energy: -136.023 flat angles C4'-P-C4' energy: -122.618 flat angles P-C4'-P energy: -76.752 tors. eta vs tors. theta energy: -60.594 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: 7 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -856.793273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.793273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.793273 (E_RNA) where: Base-Base interactions energy: -412.036 where: short stacking energy: -246.016 Base-Backbone interact. energy: -1.304 local terms energy: -443.453652 where: bonds (distance) C4'-P energy: -136.758 bonds (distance) P-C4' energy: -123.514 flat angles C4'-P-C4' energy: -127.438 flat angles P-C4'-P energy: -64.612 tors. eta vs tors. theta energy: 8.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -792.241830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.241830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.241830 (E_RNA) where: Base-Base interactions energy: -366.606 where: short stacking energy: -216.770 Base-Backbone interact. energy: 3.823 local terms energy: -429.458995 where: bonds (distance) C4'-P energy: -132.938 bonds (distance) P-C4' energy: -125.054 flat angles C4'-P-C4' energy: -119.249 flat angles P-C4'-P energy: -62.781 tors. eta vs tors. theta energy: 10.563 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: 2 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -2799.502674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.502674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.502674 (E_RNA) where: Base-Base interactions energy: -1916.652 where: short stacking energy: -783.837 Base-Backbone interact. energy: -2.002 local terms energy: -880.848919 where: bonds (distance) C4'-P energy: -163.861 bonds (distance) P-C4' energy: -164.341 flat angles C4'-P-C4' energy: -185.751 flat angles P-C4'-P energy: -129.457 tors. eta vs tors. theta energy: -237.439 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: 4 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -2578.848809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.848809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.848809 (E_RNA) where: Base-Base interactions energy: -1744.703 where: short stacking energy: -750.156 Base-Backbone interact. energy: -2.310 local terms energy: -831.835730 where: bonds (distance) C4'-P energy: -162.315 bonds (distance) P-C4' energy: -170.185 flat angles C4'-P-C4' energy: -172.410 flat angles P-C4'-P energy: -120.460 tors. eta vs tors. theta energy: -206.466 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: 1 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -2523.402855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.402855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.402855 (E_RNA) where: Base-Base interactions energy: -1759.966 where: short stacking energy: -691.983 Base-Backbone interact. energy: -2.952 local terms energy: -760.485042 where: bonds (distance) C4'-P energy: -155.080 bonds (distance) P-C4' energy: -139.086 flat angles C4'-P-C4' energy: -170.222 flat angles P-C4'-P energy: -93.731 tors. eta vs tors. theta energy: -202.366 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: 4, replica: 8 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -2348.323416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.323416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.323416 (E_RNA) where: Base-Base interactions energy: -1595.711 where: short stacking energy: -647.048 Base-Backbone interact. energy: -5.790 local terms energy: -746.822316 where: bonds (distance) C4'-P energy: -145.525 bonds (distance) P-C4' energy: -162.829 flat angles C4'-P-C4' energy: -155.462 flat angles P-C4'-P energy: -109.930 tors. eta vs tors. theta energy: -173.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -2166.035211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.035211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.035211 (E_RNA) where: Base-Base interactions energy: -1417.609 where: short stacking energy: -638.921 Base-Backbone interact. energy: -2.286 local terms energy: -746.139947 where: bonds (distance) C4'-P energy: -147.625 bonds (distance) P-C4' energy: -154.982 flat angles C4'-P-C4' energy: -162.158 flat angles P-C4'-P energy: -97.018 tors. eta vs tors. theta energy: -184.357 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: 6 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -2088.699908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.699908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.699908 (E_RNA) where: Base-Base interactions energy: -1394.585 where: short stacking energy: -605.568 Base-Backbone interact. energy: -1.474 local terms energy: -692.640699 where: bonds (distance) C4'-P energy: -141.301 bonds (distance) P-C4' energy: -153.489 flat angles C4'-P-C4' energy: -161.507 flat angles P-C4'-P energy: -83.110 tors. eta vs tors. theta energy: -153.234 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: 10 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1606.582937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.582937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.582937 (E_RNA) where: Base-Base interactions energy: -1051.047 where: short stacking energy: -455.755 Base-Backbone interact. energy: -2.488 local terms energy: -553.047781 where: bonds (distance) C4'-P energy: -134.350 bonds (distance) P-C4' energy: -137.120 flat angles C4'-P-C4' energy: -119.540 flat angles P-C4'-P energy: -75.191 tors. eta vs tors. theta energy: -86.847 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: 3 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1342.648117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.648117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.648117 (E_RNA) where: Base-Base interactions energy: -817.012 where: short stacking energy: -401.446 Base-Backbone interact. energy: 0.791 local terms energy: -526.427391 where: bonds (distance) C4'-P energy: -128.935 bonds (distance) P-C4' energy: -123.227 flat angles C4'-P-C4' energy: -143.125 flat angles P-C4'-P energy: -78.904 tors. eta vs tors. theta energy: -52.236 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: 9, replica: 7 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -868.040365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.040365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.040365 (E_RNA) where: Base-Base interactions energy: -431.289 where: short stacking energy: -272.595 Base-Backbone interact. energy: 2.597 local terms energy: -439.348986 where: bonds (distance) C4'-P energy: -135.200 bonds (distance) P-C4' energy: -142.932 flat angles C4'-P-C4' energy: -103.780 flat angles P-C4'-P energy: -57.586 tors. eta vs tors. theta energy: 0.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -816.880518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.880518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.880518 (E_RNA) where: Base-Base interactions energy: -393.944 where: short stacking energy: -233.158 Base-Backbone interact. energy: 2.015 local terms energy: -424.951205 where: bonds (distance) C4'-P energy: -135.306 bonds (distance) P-C4' energy: -121.361 flat angles C4'-P-C4' energy: -101.028 flat angles P-C4'-P energy: -61.754 tors. eta vs tors. theta energy: -5.502 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: 2 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -2797.736980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.736980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.736980 (E_RNA) where: Base-Base interactions energy: -1948.105 where: short stacking energy: -831.044 Base-Backbone interact. energy: -1.639 local terms energy: -847.993134 where: bonds (distance) C4'-P energy: -157.580 bonds (distance) P-C4' energy: -160.297 flat angles C4'-P-C4' energy: -181.458 flat angles P-C4'-P energy: -115.674 tors. eta vs tors. theta energy: -232.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -2579.242504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.242504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.242504 (E_RNA) where: Base-Base interactions energy: -1760.978 where: short stacking energy: -772.757 Base-Backbone interact. energy: -7.605 local terms energy: -810.659886 where: bonds (distance) C4'-P energy: -151.596 bonds (distance) P-C4' energy: -161.050 flat angles C4'-P-C4' energy: -174.396 flat angles P-C4'-P energy: -113.613 tors. eta vs tors. theta energy: -210.006 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: 3, replica: 1 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -2495.360237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.360237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.360237 (E_RNA) where: Base-Base interactions energy: -1734.656 where: short stacking energy: -693.623 Base-Backbone interact. energy: -5.345 local terms energy: -755.358713 where: bonds (distance) C4'-P energy: -154.768 bonds (distance) P-C4' energy: -153.758 flat angles C4'-P-C4' energy: -165.595 flat angles P-C4'-P energy: -104.169 tors. eta vs tors. theta energy: -177.069 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: 8 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -2387.488945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.488945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.488945 (E_RNA) where: Base-Base interactions energy: -1604.798 where: short stacking energy: -675.196 Base-Backbone interact. energy: -4.980 local terms energy: -777.711125 where: bonds (distance) C4'-P energy: -151.512 bonds (distance) P-C4' energy: -151.648 flat angles C4'-P-C4' energy: -169.394 flat angles P-C4'-P energy: -92.895 tors. eta vs tors. theta energy: -212.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -2203.787460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.787460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.787460 (E_RNA) where: Base-Base interactions energy: -1448.075 where: short stacking energy: -672.152 Base-Backbone interact. energy: 0.585 local terms energy: -756.297319 where: bonds (distance) C4'-P energy: -141.575 bonds (distance) P-C4' energy: -149.590 flat angles C4'-P-C4' energy: -178.434 flat angles P-C4'-P energy: -92.849 tors. eta vs tors. theta energy: -193.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -2043.778871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.778871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.778871 (E_RNA) where: Base-Base interactions energy: -1377.506 where: short stacking energy: -585.182 Base-Backbone interact. energy: -1.074 local terms energy: -665.198815 where: bonds (distance) C4'-P energy: -125.569 bonds (distance) P-C4' energy: -126.222 flat angles C4'-P-C4' energy: -147.125 flat angles P-C4'-P energy: -106.382 tors. eta vs tors. theta energy: -159.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1728.711361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.711361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.711361 (E_RNA) where: Base-Base interactions energy: -1095.267 where: short stacking energy: -492.465 Base-Backbone interact. energy: -1.702 local terms energy: -631.742844 where: bonds (distance) C4'-P energy: -133.133 bonds (distance) P-C4' energy: -159.745 flat angles C4'-P-C4' energy: -148.068 flat angles P-C4'-P energy: -93.578 tors. eta vs tors. theta energy: -97.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1289.028619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.028619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.028619 (E_RNA) where: Base-Base interactions energy: -769.827 where: short stacking energy: -361.965 Base-Backbone interact. energy: -4.514 local terms energy: -514.687114 where: bonds (distance) C4'-P energy: -124.020 bonds (distance) P-C4' energy: -117.726 flat angles C4'-P-C4' energy: -142.596 flat angles P-C4'-P energy: -79.992 tors. eta vs tors. theta energy: -50.353 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: 370 Temperature: 1.300000 Total energy: -819.269383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.269383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.269383 (E_RNA) where: Base-Base interactions energy: -358.190 where: short stacking energy: -217.434 Base-Backbone interact. energy: 0.372 local terms energy: -461.452116 where: bonds (distance) C4'-P energy: -154.218 bonds (distance) P-C4' energy: -128.213 flat angles C4'-P-C4' energy: -128.853 flat angles P-C4'-P energy: -61.668 tors. eta vs tors. theta energy: 11.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -793.616266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.616266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.616266 (E_RNA) where: Base-Base interactions energy: -347.744 where: short stacking energy: -167.014 Base-Backbone interact. energy: -1.078 local terms energy: -444.794272 where: bonds (distance) C4'-P energy: -130.881 bonds (distance) P-C4' energy: -134.137 flat angles C4'-P-C4' energy: -123.107 flat angles P-C4'-P energy: -78.428 tors. eta vs tors. theta energy: 21.758 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: 1, replica: 2 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -2821.977204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.977204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.977204 (E_RNA) where: Base-Base interactions energy: -1942.592 where: short stacking energy: -820.728 Base-Backbone interact. energy: -3.985 local terms energy: -875.400106 where: bonds (distance) C4'-P energy: -153.485 bonds (distance) P-C4' energy: -170.343 flat angles C4'-P-C4' energy: -180.986 flat angles P-C4'-P energy: -129.108 tors. eta vs tors. theta energy: -241.479 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: 4 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -2577.160397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.160397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.160397 (E_RNA) where: Base-Base interactions energy: -1731.047 where: short stacking energy: -750.662 Base-Backbone interact. energy: -1.762 local terms energy: -844.352138 where: bonds (distance) C4'-P energy: -151.889 bonds (distance) P-C4' energy: -156.890 flat angles C4'-P-C4' energy: -182.197 flat angles P-C4'-P energy: -131.714 tors. eta vs tors. theta energy: -221.662 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: 3, replica: 1 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -2519.619477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.619477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.619477 (E_RNA) where: Base-Base interactions energy: -1726.766 where: short stacking energy: -707.778 Base-Backbone interact. energy: 4.870 local terms energy: -797.722952 where: bonds (distance) C4'-P energy: -157.296 bonds (distance) P-C4' energy: -129.790 flat angles C4'-P-C4' energy: -187.787 flat angles P-C4'-P energy: -114.169 tors. eta vs tors. theta energy: -208.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -2398.887193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.887193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.887193 (E_RNA) where: Base-Base interactions energy: -1633.522 where: short stacking energy: -671.456 Base-Backbone interact. energy: -5.033 local terms energy: -760.332370 where: bonds (distance) C4'-P energy: -149.132 bonds (distance) P-C4' energy: -149.974 flat angles C4'-P-C4' energy: -172.227 flat angles P-C4'-P energy: -97.411 tors. eta vs tors. theta energy: -191.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -2187.330043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.330043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.330043 (E_RNA) where: Base-Base interactions energy: -1446.345 where: short stacking energy: -630.932 Base-Backbone interact. energy: -2.496 local terms energy: -738.488659 where: bonds (distance) C4'-P energy: -132.445 bonds (distance) P-C4' energy: -145.824 flat angles C4'-P-C4' energy: -155.207 flat angles P-C4'-P energy: -124.519 tors. eta vs tors. theta energy: -180.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -2079.765298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.765298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.765298 (E_RNA) where: Base-Base interactions energy: -1376.050 where: short stacking energy: -607.901 Base-Backbone interact. energy: -3.800 local terms energy: -699.915089 where: bonds (distance) C4'-P energy: -129.574 bonds (distance) P-C4' energy: -159.707 flat angles C4'-P-C4' energy: -145.797 flat angles P-C4'-P energy: -90.538 tors. eta vs tors. theta energy: -174.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1692.963225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.963225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.963225 (E_RNA) where: Base-Base interactions energy: -1099.176 where: short stacking energy: -495.839 Base-Backbone interact. energy: -1.327 local terms energy: -592.460376 where: bonds (distance) C4'-P energy: -100.364 bonds (distance) P-C4' energy: -150.758 flat angles C4'-P-C4' energy: -138.045 flat angles P-C4'-P energy: -99.625 tors. eta vs tors. theta energy: -103.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1345.532972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.532972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.532972 (E_RNA) where: Base-Base interactions energy: -790.042 where: short stacking energy: -372.096 Base-Backbone interact. energy: -1.040 local terms energy: -554.450878 where: bonds (distance) C4'-P energy: -120.858 bonds (distance) P-C4' energy: -162.242 flat angles C4'-P-C4' energy: -143.771 flat angles P-C4'-P energy: -78.508 tors. eta vs tors. theta energy: -49.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -761.625230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.625230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.625230 (E_RNA) where: Base-Base interactions energy: -331.806 where: short stacking energy: -195.011 Base-Backbone interact. energy: -1.473 local terms energy: -428.346841 where: bonds (distance) C4'-P energy: -134.394 bonds (distance) P-C4' energy: -146.137 flat angles C4'-P-C4' energy: -116.445 flat angles P-C4'-P energy: -48.145 tors. eta vs tors. theta energy: 16.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -829.349863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.349863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.349863 (E_RNA) where: Base-Base interactions energy: -393.532 where: short stacking energy: -211.685 Base-Backbone interact. energy: 1.023 local terms energy: -436.840698 where: bonds (distance) C4'-P energy: -103.674 bonds (distance) P-C4' energy: -158.996 flat angles C4'-P-C4' energy: -118.064 flat angles P-C4'-P energy: -67.352 tors. eta vs tors. theta energy: 11.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -2817.683715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.683715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.683715 (E_RNA) where: Base-Base interactions energy: -1971.735 where: short stacking energy: -826.680 Base-Backbone interact. energy: -2.532 local terms energy: -843.416386 where: bonds (distance) C4'-P energy: -147.638 bonds (distance) P-C4' energy: -176.930 flat angles C4'-P-C4' energy: -176.042 flat angles P-C4'-P energy: -112.106 tors. eta vs tors. theta energy: -230.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -2616.996652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.996652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.996652 (E_RNA) where: Base-Base interactions energy: -1816.285 where: short stacking energy: -747.618 Base-Backbone interact. energy: -1.215 local terms energy: -799.497458 where: bonds (distance) C4'-P energy: -137.962 bonds (distance) P-C4' energy: -164.412 flat angles C4'-P-C4' energy: -176.864 flat angles P-C4'-P energy: -122.824 tors. eta vs tors. theta energy: -197.435 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: 3, replica: 1 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -2501.660250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.660250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.660250 (E_RNA) where: Base-Base interactions energy: -1724.836 where: short stacking energy: -689.075 Base-Backbone interact. energy: -3.859 local terms energy: -772.965757 where: bonds (distance) C4'-P energy: -148.947 bonds (distance) P-C4' energy: -164.198 flat angles C4'-P-C4' energy: -165.018 flat angles P-C4'-P energy: -89.010 tors. eta vs tors. theta energy: -205.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -2436.390111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.390111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.390111 (E_RNA) where: Base-Base interactions energy: -1652.714 where: short stacking energy: -690.197 Base-Backbone interact. energy: -3.828 local terms energy: -779.847978 where: bonds (distance) C4'-P energy: -143.292 bonds (distance) P-C4' energy: -157.516 flat angles C4'-P-C4' energy: -171.195 flat angles P-C4'-P energy: -111.195 tors. eta vs tors. theta energy: -196.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -2163.476623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.476623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.476623 (E_RNA) where: Base-Base interactions energy: -1420.334 where: short stacking energy: -637.742 Base-Backbone interact. energy: -2.246 local terms energy: -740.896362 where: bonds (distance) C4'-P energy: -150.986 bonds (distance) P-C4' energy: -139.291 flat angles C4'-P-C4' energy: -160.349 flat angles P-C4'-P energy: -108.985 tors. eta vs tors. theta energy: -181.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -2058.264377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.264377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.264377 (E_RNA) where: Base-Base interactions energy: -1398.661 where: short stacking energy: -643.374 Base-Backbone interact. energy: -3.830 local terms energy: -655.774180 where: bonds (distance) C4'-P energy: -122.487 bonds (distance) P-C4' energy: -119.289 flat angles C4'-P-C4' energy: -174.212 flat angles P-C4'-P energy: -88.424 tors. eta vs tors. theta energy: -151.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1681.257589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.257589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.257589 (E_RNA) where: Base-Base interactions energy: -1066.151 where: short stacking energy: -467.298 Base-Backbone interact. energy: -4.079 local terms energy: -611.027917 where: bonds (distance) C4'-P energy: -143.478 bonds (distance) P-C4' energy: -147.486 flat angles C4'-P-C4' energy: -119.839 flat angles P-C4'-P energy: -98.860 tors. eta vs tors. theta energy: -101.364 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: 372 Temperature: 1.250000 Total energy: -1317.272707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.272707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.272707 (E_RNA) where: Base-Base interactions energy: -751.886 where: short stacking energy: -359.729 Base-Backbone interact. energy: -1.420 local terms energy: -563.966777 where: bonds (distance) C4'-P energy: -143.150 bonds (distance) P-C4' energy: -147.111 flat angles C4'-P-C4' energy: -131.355 flat angles P-C4'-P energy: -96.177 tors. eta vs tors. theta energy: -46.174 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: 9, replica: 7 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -799.333353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.333353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.333353 (E_RNA) where: Base-Base interactions energy: -375.484 where: short stacking energy: -227.780 Base-Backbone interact. energy: 3.313 local terms energy: -427.162069 where: bonds (distance) C4'-P energy: -124.197 bonds (distance) P-C4' energy: -138.222 flat angles C4'-P-C4' energy: -125.008 flat angles P-C4'-P energy: -60.269 tors. eta vs tors. theta energy: 20.533 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: 10, replica: 9 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -817.867608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.867608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.867608 (E_RNA) where: Base-Base interactions energy: -409.226 where: short stacking energy: -221.797 Base-Backbone interact. energy: 1.871 local terms energy: -410.513538 where: bonds (distance) C4'-P energy: -133.505 bonds (distance) P-C4' energy: -140.585 flat angles C4'-P-C4' energy: -113.750 flat angles P-C4'-P energy: -52.654 tors. eta vs tors. theta energy: 29.979 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: 2 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -2794.239824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.239824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.239824 (E_RNA) where: Base-Base interactions energy: -1959.295 where: short stacking energy: -814.184 Base-Backbone interact. energy: 1.544 local terms energy: -836.489482 where: bonds (distance) C4'-P energy: -164.853 bonds (distance) P-C4' energy: -149.593 flat angles C4'-P-C4' energy: -167.489 flat angles P-C4'-P energy: -118.345 tors. eta vs tors. theta energy: -236.210 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: 373 Temperature: 0.950000 Total energy: -2648.727166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.727166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.727166 (E_RNA) where: Base-Base interactions energy: -1792.819 where: short stacking energy: -751.359 Base-Backbone interact. energy: -4.750 local terms energy: -851.157819 where: bonds (distance) C4'-P energy: -164.029 bonds (distance) P-C4' energy: -162.046 flat angles C4'-P-C4' energy: -175.607 flat angles P-C4'-P energy: -129.346 tors. eta vs tors. theta energy: -220.129 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: 1 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -2509.127940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.127940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.127940 (E_RNA) where: Base-Base interactions energy: -1718.870 where: short stacking energy: -687.431 Base-Backbone interact. energy: -3.902 local terms energy: -786.355841 where: bonds (distance) C4'-P energy: -141.467 bonds (distance) P-C4' energy: -165.087 flat angles C4'-P-C4' energy: -177.558 flat angles P-C4'-P energy: -106.191 tors. eta vs tors. theta energy: -196.053 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: 8 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -2516.390694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.390694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.390694 (E_RNA) where: Base-Base interactions energy: -1699.946 where: short stacking energy: -713.367 Base-Backbone interact. energy: -1.744 local terms energy: -814.700590 where: bonds (distance) C4'-P energy: -155.395 bonds (distance) P-C4' energy: -162.580 flat angles C4'-P-C4' energy: -171.451 flat angles P-C4'-P energy: -110.599 tors. eta vs tors. theta energy: -214.675 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: 5 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -2188.998865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.998865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.998865 (E_RNA) where: Base-Base interactions energy: -1439.399 where: short stacking energy: -655.946 Base-Backbone interact. energy: -2.555 local terms energy: -747.044404 where: bonds (distance) C4'-P energy: -139.506 bonds (distance) P-C4' energy: -144.043 flat angles C4'-P-C4' energy: -175.026 flat angles P-C4'-P energy: -100.063 tors. eta vs tors. theta energy: -188.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -2042.100158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.100158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.100158 (E_RNA) where: Base-Base interactions energy: -1366.332 where: short stacking energy: -600.388 Base-Backbone interact. energy: -1.061 local terms energy: -674.707232 where: bonds (distance) C4'-P energy: -126.221 bonds (distance) P-C4' energy: -141.428 flat angles C4'-P-C4' energy: -171.348 flat angles P-C4'-P energy: -79.145 tors. eta vs tors. theta energy: -156.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -1615.997862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.997862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.997862 (E_RNA) where: Base-Base interactions energy: -1028.098 where: short stacking energy: -468.513 Base-Backbone interact. energy: 4.417 local terms energy: -592.316920 where: bonds (distance) C4'-P energy: -124.854 bonds (distance) P-C4' energy: -131.758 flat angles C4'-P-C4' energy: -158.867 flat angles P-C4'-P energy: -75.442 tors. eta vs tors. theta energy: -101.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1325.908372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.908372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.908372 (E_RNA) where: Base-Base interactions energy: -778.192 where: short stacking energy: -381.024 Base-Backbone interact. energy: -1.388 local terms energy: -546.328452 where: bonds (distance) C4'-P energy: -116.695 bonds (distance) P-C4' energy: -140.704 flat angles C4'-P-C4' energy: -155.721 flat angles P-C4'-P energy: -74.494 tors. eta vs tors. theta energy: -58.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -761.963021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.963021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.963021 (E_RNA) where: Base-Base interactions energy: -315.518 where: short stacking energy: -205.065 Base-Backbone interact. energy: -1.000 local terms energy: -445.445457 where: bonds (distance) C4'-P energy: -140.493 bonds (distance) P-C4' energy: -133.175 flat angles C4'-P-C4' energy: -127.815 flat angles P-C4'-P energy: -67.314 tors. eta vs tors. theta energy: 23.351 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: 9 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -776.542490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.542490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.542490 (E_RNA) where: Base-Base interactions energy: -394.771 where: short stacking energy: -223.942 Base-Backbone interact. energy: 2.097 local terms energy: -383.868912 where: bonds (distance) C4'-P energy: -119.254 bonds (distance) P-C4' energy: -115.017 flat angles C4'-P-C4' energy: -102.098 flat angles P-C4'-P energy: -55.405 tors. eta vs tors. theta energy: 7.905 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: 1, replica: 2 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -2822.081788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.081788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.081788 (E_RNA) where: Base-Base interactions energy: -1950.633 where: short stacking energy: -815.775 Base-Backbone interact. energy: 0.293 local terms energy: -871.742111 where: bonds (distance) C4'-P energy: -161.733 bonds (distance) P-C4' energy: -153.899 flat angles C4'-P-C4' energy: -186.949 flat angles P-C4'-P energy: -135.131 tors. eta vs tors. theta energy: -234.030 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: 2, replica: 4 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -2615.101269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.101269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.101269 (E_RNA) where: Base-Base interactions energy: -1802.965 where: short stacking energy: -747.448 Base-Backbone interact. energy: -2.612 local terms energy: -809.523956 where: bonds (distance) C4'-P energy: -160.586 bonds (distance) P-C4' energy: -142.682 flat angles C4'-P-C4' energy: -172.869 flat angles P-C4'-P energy: -110.841 tors. eta vs tors. theta energy: -222.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -2548.563668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.563668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.563668 (E_RNA) where: Base-Base interactions energy: -1776.285 where: short stacking energy: -709.950 Base-Backbone interact. energy: -3.434 local terms energy: -768.844388 where: bonds (distance) C4'-P energy: -152.562 bonds (distance) P-C4' energy: -147.772 flat angles C4'-P-C4' energy: -177.716 flat angles P-C4'-P energy: -95.013 tors. eta vs tors. theta energy: -195.782 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: 4, replica: 8 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -2437.176692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.176692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.176692 (E_RNA) where: Base-Base interactions energy: -1637.863 where: short stacking energy: -695.322 Base-Backbone interact. energy: 1.725 local terms energy: -801.038544 where: bonds (distance) C4'-P energy: -144.388 bonds (distance) P-C4' energy: -175.761 flat angles C4'-P-C4' energy: -167.663 flat angles P-C4'-P energy: -120.781 tors. eta vs tors. theta energy: -192.445 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: 5, replica: 5 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -2117.646472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.646472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.646472 (E_RNA) where: Base-Base interactions energy: -1384.213 where: short stacking energy: -647.688 Base-Backbone interact. energy: 1.104 local terms energy: -734.537315 where: bonds (distance) C4'-P energy: -140.195 bonds (distance) P-C4' energy: -149.591 flat angles C4'-P-C4' energy: -155.864 flat angles P-C4'-P energy: -103.980 tors. eta vs tors. theta energy: -184.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -2020.383436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.383436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.383436 (E_RNA) where: Base-Base interactions energy: -1336.863 where: short stacking energy: -597.948 Base-Backbone interact. energy: -0.391 local terms energy: -683.129849 where: bonds (distance) C4'-P energy: -128.645 bonds (distance) P-C4' energy: -150.882 flat angles C4'-P-C4' energy: -165.639 flat angles P-C4'-P energy: -94.272 tors. eta vs tors. theta energy: -143.692 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: 10 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1662.029786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.029786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.029786 (E_RNA) where: Base-Base interactions energy: -1041.981 where: short stacking energy: -489.758 Base-Backbone interact. energy: -4.321 local terms energy: -615.727771 where: bonds (distance) C4'-P energy: -129.043 bonds (distance) P-C4' energy: -142.886 flat angles C4'-P-C4' energy: -140.300 flat angles P-C4'-P energy: -96.709 tors. eta vs tors. theta energy: -106.790 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: 8, replica: 3 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1336.562831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.562831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.562831 (E_RNA) where: Base-Base interactions energy: -753.978 where: short stacking energy: -358.396 Base-Backbone interact. energy: 0.013 local terms energy: -582.597941 where: bonds (distance) C4'-P energy: -149.316 bonds (distance) P-C4' energy: -137.816 flat angles C4'-P-C4' energy: -142.088 flat angles P-C4'-P energy: -101.547 tors. eta vs tors. theta energy: -51.831 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: 9, replica: 9 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -801.894491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.894491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.894491 (E_RNA) where: Base-Base interactions energy: -365.583 where: short stacking energy: -228.699 Base-Backbone interact. energy: 0.615 local terms energy: -436.926259 where: bonds (distance) C4'-P energy: -142.131 bonds (distance) P-C4' energy: -129.153 flat angles C4'-P-C4' energy: -114.738 flat angles P-C4'-P energy: -56.662 tors. eta vs tors. theta energy: 5.757 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: 10, replica: 7 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -775.058748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.058748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.058748 (E_RNA) where: Base-Base interactions energy: -373.171 where: short stacking energy: -229.169 Base-Backbone interact. energy: 3.290 local terms energy: -405.178020 where: bonds (distance) C4'-P energy: -109.465 bonds (distance) P-C4' energy: -121.012 flat angles C4'-P-C4' energy: -123.486 flat angles P-C4'-P energy: -63.421 tors. eta vs tors. theta energy: 12.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -2815.250823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.250823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.250823 (E_RNA) where: Base-Base interactions energy: -1940.706 where: short stacking energy: -814.966 Base-Backbone interact. energy: -4.331 local terms energy: -870.213382 where: bonds (distance) C4'-P energy: -167.789 bonds (distance) P-C4' energy: -164.163 flat angles C4'-P-C4' energy: -181.426 flat angles P-C4'-P energy: -123.667 tors. eta vs tors. theta energy: -233.168 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: 4 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -2637.207257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.207257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.207257 (E_RNA) where: Base-Base interactions energy: -1800.868 where: short stacking energy: -760.709 Base-Backbone interact. energy: -1.417 local terms energy: -834.921873 where: bonds (distance) C4'-P energy: -162.841 bonds (distance) P-C4' energy: -162.440 flat angles C4'-P-C4' energy: -175.947 flat angles P-C4'-P energy: -108.758 tors. eta vs tors. theta energy: -224.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -2563.066653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.066653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.066653 (E_RNA) where: Base-Base interactions energy: -1773.671 where: short stacking energy: -717.305 Base-Backbone interact. energy: -2.022 local terms energy: -787.373583 where: bonds (distance) C4'-P energy: -163.533 bonds (distance) P-C4' energy: -148.036 flat angles C4'-P-C4' energy: -164.514 flat angles P-C4'-P energy: -109.408 tors. eta vs tors. theta energy: -201.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -2468.194189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.194189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.194189 (E_RNA) where: Base-Base interactions energy: -1661.724 where: short stacking energy: -691.368 Base-Backbone interact. energy: -5.425 local terms energy: -801.045377 where: bonds (distance) C4'-P energy: -140.625 bonds (distance) P-C4' energy: -162.733 flat angles C4'-P-C4' energy: -169.056 flat angles P-C4'-P energy: -113.934 tors. eta vs tors. theta energy: -214.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -2115.593192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.593192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.593192 (E_RNA) where: Base-Base interactions energy: -1391.649 where: short stacking energy: -644.200 Base-Backbone interact. energy: 2.207 local terms energy: -726.151357 where: bonds (distance) C4'-P energy: -163.214 bonds (distance) P-C4' energy: -120.399 flat angles C4'-P-C4' energy: -160.882 flat angles P-C4'-P energy: -94.094 tors. eta vs tors. theta energy: -187.562 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: 6 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -1998.961603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.961603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.961603 (E_RNA) where: Base-Base interactions energy: -1336.598 where: short stacking energy: -589.643 Base-Backbone interact. energy: -2.903 local terms energy: -659.460105 where: bonds (distance) C4'-P energy: -149.204 bonds (distance) P-C4' energy: -146.469 flat angles C4'-P-C4' energy: -137.619 flat angles P-C4'-P energy: -82.035 tors. eta vs tors. theta energy: -144.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1642.311885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.311885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.311885 (E_RNA) where: Base-Base interactions energy: -1019.782 where: short stacking energy: -446.024 Base-Backbone interact. energy: 0.301 local terms energy: -622.830393 where: bonds (distance) C4'-P energy: -149.500 bonds (distance) P-C4' energy: -127.794 flat angles C4'-P-C4' energy: -158.486 flat angles P-C4'-P energy: -96.696 tors. eta vs tors. theta energy: -90.354 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: 3 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1292.269811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.269811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.269811 (E_RNA) where: Base-Base interactions energy: -762.680 where: short stacking energy: -339.118 Base-Backbone interact. energy: 0.595 local terms energy: -530.185359 where: bonds (distance) C4'-P energy: -144.048 bonds (distance) P-C4' energy: -154.890 flat angles C4'-P-C4' energy: -120.948 flat angles P-C4'-P energy: -77.409 tors. eta vs tors. theta energy: -32.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -798.724189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.724189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.724189 (E_RNA) where: Base-Base interactions energy: -360.623 where: short stacking energy: -219.065 Base-Backbone interact. energy: 6.310 local terms energy: -444.411050 where: bonds (distance) C4'-P energy: -145.548 bonds (distance) P-C4' energy: -136.998 flat angles C4'-P-C4' energy: -110.334 flat angles P-C4'-P energy: -57.935 tors. eta vs tors. theta energy: 6.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -754.306449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.306449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.306449 (E_RNA) where: Base-Base interactions energy: -357.572 where: short stacking energy: -211.615 Base-Backbone interact. energy: 0.911 local terms energy: -397.645851 where: bonds (distance) C4'-P energy: -110.240 bonds (distance) P-C4' energy: -151.711 flat angles C4'-P-C4' energy: -99.938 flat angles P-C4'-P energy: -55.259 tors. eta vs tors. theta energy: 19.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -2818.670834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.670834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.670834 (E_RNA) where: Base-Base interactions energy: -1976.116 where: short stacking energy: -849.889 Base-Backbone interact. energy: -2.528 local terms energy: -840.026743 where: bonds (distance) C4'-P energy: -160.648 bonds (distance) P-C4' energy: -142.798 flat angles C4'-P-C4' energy: -176.403 flat angles P-C4'-P energy: -114.478 tors. eta vs tors. theta energy: -245.699 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: 4 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -2608.455625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.455625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.455625 (E_RNA) where: Base-Base interactions energy: -1766.452 where: short stacking energy: -761.091 Base-Backbone interact. energy: -4.897 local terms energy: -837.107089 where: bonds (distance) C4'-P energy: -158.196 bonds (distance) P-C4' energy: -165.218 flat angles C4'-P-C4' energy: -173.681 flat angles P-C4'-P energy: -115.903 tors. eta vs tors. theta energy: -224.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -2503.318116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.318116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.318116 (E_RNA) where: Base-Base interactions energy: -1713.110 where: short stacking energy: -711.748 Base-Backbone interact. energy: -3.166 local terms energy: -787.042429 where: bonds (distance) C4'-P energy: -146.299 bonds (distance) P-C4' energy: -169.142 flat angles C4'-P-C4' energy: -168.378 flat angles P-C4'-P energy: -110.635 tors. eta vs tors. theta energy: -192.589 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: 8 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -2441.306375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.306375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.306375 (E_RNA) where: Base-Base interactions energy: -1680.527 where: short stacking energy: -670.639 Base-Backbone interact. energy: -4.849 local terms energy: -755.930020 where: bonds (distance) C4'-P energy: -134.642 bonds (distance) P-C4' energy: -145.873 flat angles C4'-P-C4' energy: -165.062 flat angles P-C4'-P energy: -118.617 tors. eta vs tors. theta energy: -191.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -2109.080950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.080950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.080950 (E_RNA) where: Base-Base interactions energy: -1389.139 where: short stacking energy: -637.940 Base-Backbone interact. energy: -2.052 local terms energy: -717.890229 where: bonds (distance) C4'-P energy: -136.809 bonds (distance) P-C4' energy: -138.607 flat angles C4'-P-C4' energy: -160.307 flat angles P-C4'-P energy: -101.456 tors. eta vs tors. theta energy: -180.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -2039.773674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.773674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.773674 (E_RNA) where: Base-Base interactions energy: -1388.497 where: short stacking energy: -609.072 Base-Backbone interact. energy: -3.930 local terms energy: -647.346697 where: bonds (distance) C4'-P energy: -117.238 bonds (distance) P-C4' energy: -135.365 flat angles C4'-P-C4' energy: -143.146 flat angles P-C4'-P energy: -103.446 tors. eta vs tors. theta energy: -148.152 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: 7, replica: 10 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1604.578495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.578495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.578495 (E_RNA) where: Base-Base interactions energy: -1002.240 where: short stacking energy: -453.387 Base-Backbone interact. energy: 0.174 local terms energy: -602.513117 where: bonds (distance) C4'-P energy: -118.516 bonds (distance) P-C4' energy: -129.558 flat angles C4'-P-C4' energy: -130.038 flat angles P-C4'-P energy: -109.753 tors. eta vs tors. theta energy: -114.649 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: 8, replica: 3 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1396.852094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.852094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.852094 (E_RNA) where: Base-Base interactions energy: -853.105 where: short stacking energy: -421.561 Base-Backbone interact. energy: 5.511 local terms energy: -549.257530 where: bonds (distance) C4'-P energy: -120.118 bonds (distance) P-C4' energy: -135.079 flat angles C4'-P-C4' energy: -134.302 flat angles P-C4'-P energy: -81.569 tors. eta vs tors. theta energy: -78.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -739.042270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.042270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.042270 (E_RNA) where: Base-Base interactions energy: -306.582 where: short stacking energy: -214.317 Base-Backbone interact. energy: -2.622 local terms energy: -429.838264 where: bonds (distance) C4'-P energy: -128.557 bonds (distance) P-C4' energy: -135.470 flat angles C4'-P-C4' energy: -101.544 flat angles P-C4'-P energy: -71.823 tors. eta vs tors. theta energy: 7.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -791.897065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.897065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.897065 (E_RNA) where: Base-Base interactions energy: -374.894 where: short stacking energy: -221.895 Base-Backbone interact. energy: -1.103 local terms energy: -415.899946 where: bonds (distance) C4'-P energy: -118.031 bonds (distance) P-C4' energy: -133.410 flat angles C4'-P-C4' energy: -120.129 flat angles P-C4'-P energy: -58.407 tors. eta vs tors. theta energy: 14.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -2771.538993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.538993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.538993 (E_RNA) where: Base-Base interactions energy: -1924.156 where: short stacking energy: -809.753 Base-Backbone interact. energy: 2.500 local terms energy: -849.883083 where: bonds (distance) C4'-P energy: -148.712 bonds (distance) P-C4' energy: -161.941 flat angles C4'-P-C4' energy: -187.995 flat angles P-C4'-P energy: -116.732 tors. eta vs tors. theta energy: -234.503 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: 1 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -2583.639335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.639335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.639335 (E_RNA) where: Base-Base interactions energy: -1775.051 where: short stacking energy: -704.053 Base-Backbone interact. energy: -1.249 local terms energy: -807.339278 where: bonds (distance) C4'-P energy: -153.955 bonds (distance) P-C4' energy: -157.921 flat angles C4'-P-C4' energy: -177.074 flat angles P-C4'-P energy: -116.381 tors. eta vs tors. theta energy: -202.009 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: 3, replica: 4 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -2527.423677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.423677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.423677 (E_RNA) where: Base-Base interactions energy: -1731.524 where: short stacking energy: -754.485 Base-Backbone interact. energy: -2.211 local terms energy: -793.688765 where: bonds (distance) C4'-P energy: -148.031 bonds (distance) P-C4' energy: -151.572 flat angles C4'-P-C4' energy: -167.040 flat angles P-C4'-P energy: -108.522 tors. eta vs tors. theta energy: -218.525 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: 8 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -2487.908945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.908945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.908945 (E_RNA) where: Base-Base interactions energy: -1709.171 where: short stacking energy: -709.119 Base-Backbone interact. energy: -4.317 local terms energy: -774.421459 where: bonds (distance) C4'-P energy: -139.406 bonds (distance) P-C4' energy: -140.462 flat angles C4'-P-C4' energy: -171.154 flat angles P-C4'-P energy: -128.251 tors. eta vs tors. theta energy: -195.148 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: 377 Temperature: 1.100000 Total energy: -2121.827436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.827436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.827436 (E_RNA) where: Base-Base interactions energy: -1408.135 where: short stacking energy: -643.318 Base-Backbone interact. energy: -0.598 local terms energy: -713.094066 where: bonds (distance) C4'-P energy: -129.936 bonds (distance) P-C4' energy: -148.415 flat angles C4'-P-C4' energy: -153.911 flat angles P-C4'-P energy: -110.842 tors. eta vs tors. theta energy: -169.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -2026.947119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.947119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.947119 (E_RNA) where: Base-Base interactions energy: -1335.779 where: short stacking energy: -576.475 Base-Backbone interact. energy: -1.233 local terms energy: -689.934787 where: bonds (distance) C4'-P energy: -136.497 bonds (distance) P-C4' energy: -159.166 flat angles C4'-P-C4' energy: -152.235 flat angles P-C4'-P energy: -92.462 tors. eta vs tors. theta energy: -149.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1666.679044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.679044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.679044 (E_RNA) where: Base-Base interactions energy: -1033.883 where: short stacking energy: -505.075 Base-Backbone interact. energy: 3.498 local terms energy: -636.294062 where: bonds (distance) C4'-P energy: -144.150 bonds (distance) P-C4' energy: -136.157 flat angles C4'-P-C4' energy: -134.073 flat angles P-C4'-P energy: -107.490 tors. eta vs tors. theta energy: -114.424 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: 3 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -1313.691924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.691924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.691924 (E_RNA) where: Base-Base interactions energy: -772.230 where: short stacking energy: -394.073 Base-Backbone interact. energy: -0.656 local terms energy: -540.805023 where: bonds (distance) C4'-P energy: -136.408 bonds (distance) P-C4' energy: -130.678 flat angles C4'-P-C4' energy: -149.048 flat angles P-C4'-P energy: -65.911 tors. eta vs tors. theta energy: -58.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -732.834188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.834188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.834188 (E_RNA) where: Base-Base interactions energy: -276.627 where: short stacking energy: -202.776 Base-Backbone interact. energy: 0.853 local terms energy: -457.059950 where: bonds (distance) C4'-P energy: -130.534 bonds (distance) P-C4' energy: -149.766 flat angles C4'-P-C4' energy: -122.727 flat angles P-C4'-P energy: -77.208 tors. eta vs tors. theta energy: 23.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -781.844567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.844567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.844567 (E_RNA) where: Base-Base interactions energy: -396.099 where: short stacking energy: -220.605 Base-Backbone interact. energy: -3.503 local terms energy: -382.242063 where: bonds (distance) C4'-P energy: -119.237 bonds (distance) P-C4' energy: -147.210 flat angles C4'-P-C4' energy: -89.410 flat angles P-C4'-P energy: -44.546 tors. eta vs tors. theta energy: 18.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -2779.658781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.658781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.658781 (E_RNA) where: Base-Base interactions energy: -1895.051 where: short stacking energy: -796.414 Base-Backbone interact. energy: -4.065 local terms energy: -880.542854 where: bonds (distance) C4'-P energy: -179.246 bonds (distance) P-C4' energy: -163.983 flat angles C4'-P-C4' energy: -188.715 flat angles P-C4'-P energy: -114.715 tors. eta vs tors. theta energy: -233.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -2592.823579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.823579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.823579 (E_RNA) where: Base-Base interactions energy: -1777.791 where: short stacking energy: -735.640 Base-Backbone interact. energy: -3.020 local terms energy: -812.012435 where: bonds (distance) C4'-P energy: -156.480 bonds (distance) P-C4' energy: -144.983 flat angles C4'-P-C4' energy: -181.285 flat angles P-C4'-P energy: -113.390 tors. eta vs tors. theta energy: -215.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -2531.901060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.901060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.901060 (E_RNA) where: Base-Base interactions energy: -1725.126 where: short stacking energy: -719.412 Base-Backbone interact. energy: -7.173 local terms energy: -799.602021 where: bonds (distance) C4'-P energy: -148.811 bonds (distance) P-C4' energy: -152.710 flat angles C4'-P-C4' energy: -171.998 flat angles P-C4'-P energy: -118.925 tors. eta vs tors. theta energy: -207.158 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: 8 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -2450.247595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.247595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.247595 (E_RNA) where: Base-Base interactions energy: -1696.660 where: short stacking energy: -687.227 Base-Backbone interact. energy: -4.944 local terms energy: -748.643338 where: bonds (distance) C4'-P energy: -146.745 bonds (distance) P-C4' energy: -141.202 flat angles C4'-P-C4' energy: -159.832 flat angles P-C4'-P energy: -98.375 tors. eta vs tors. theta energy: -202.489 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: 5 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -2086.016392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.016392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.016392 (E_RNA) where: Base-Base interactions energy: -1353.588 where: short stacking energy: -626.855 Base-Backbone interact. energy: -3.428 local terms energy: -729.000389 where: bonds (distance) C4'-P energy: -154.746 bonds (distance) P-C4' energy: -138.898 flat angles C4'-P-C4' energy: -157.050 flat angles P-C4'-P energy: -105.058 tors. eta vs tors. theta energy: -173.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -2022.261184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.261184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.261184 (E_RNA) where: Base-Base interactions energy: -1326.407 where: short stacking energy: -567.767 Base-Backbone interact. energy: -2.132 local terms energy: -693.722039 where: bonds (distance) C4'-P energy: -147.974 bonds (distance) P-C4' energy: -130.145 flat angles C4'-P-C4' energy: -163.933 flat angles P-C4'-P energy: -90.491 tors. eta vs tors. theta energy: -161.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1665.712098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.712098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.712098 (E_RNA) where: Base-Base interactions energy: -1044.697 where: short stacking energy: -471.731 Base-Backbone interact. energy: 0.706 local terms energy: -621.721733 where: bonds (distance) C4'-P energy: -135.139 bonds (distance) P-C4' energy: -145.059 flat angles C4'-P-C4' energy: -141.536 flat angles P-C4'-P energy: -93.162 tors. eta vs tors. theta energy: -106.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1390.682360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.682360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.682360 (E_RNA) where: Base-Base interactions energy: -860.710 where: short stacking energy: -381.411 Base-Backbone interact. energy: -7.015 local terms energy: -522.957346 where: bonds (distance) C4'-P energy: -108.354 bonds (distance) P-C4' energy: -148.616 flat angles C4'-P-C4' energy: -139.503 flat angles P-C4'-P energy: -69.735 tors. eta vs tors. theta energy: -56.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -826.511119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.511119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.511119 (E_RNA) where: Base-Base interactions energy: -371.384 where: short stacking energy: -248.966 Base-Backbone interact. energy: -0.979 local terms energy: -454.147573 where: bonds (distance) C4'-P energy: -117.590 bonds (distance) P-C4' energy: -142.489 flat angles C4'-P-C4' energy: -119.328 flat angles P-C4'-P energy: -73.311 tors. eta vs tors. theta energy: -1.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -666.434206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.434206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.434206 (E_RNA) where: Base-Base interactions energy: -245.582 where: short stacking energy: -177.110 Base-Backbone interact. energy: -0.181 local terms energy: -420.671042 where: bonds (distance) C4'-P energy: -143.307 bonds (distance) P-C4' energy: -122.767 flat angles C4'-P-C4' energy: -119.224 flat angles P-C4'-P energy: -68.071 tors. eta vs tors. theta energy: 32.698 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: 2 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -2759.374009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.374009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.374009 (E_RNA) where: Base-Base interactions energy: -1907.749 where: short stacking energy: -790.255 Base-Backbone interact. energy: -4.733 local terms energy: -846.892450 where: bonds (distance) C4'-P energy: -152.645 bonds (distance) P-C4' energy: -168.359 flat angles C4'-P-C4' energy: -175.713 flat angles P-C4'-P energy: -118.559 tors. eta vs tors. theta energy: -231.616 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: 1 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -2610.245502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.245502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.245502 (E_RNA) where: Base-Base interactions energy: -1779.176 where: short stacking energy: -749.225 Base-Backbone interact. energy: -2.848 local terms energy: -828.221430 where: bonds (distance) C4'-P energy: -162.782 bonds (distance) P-C4' energy: -163.496 flat angles C4'-P-C4' energy: -171.643 flat angles P-C4'-P energy: -112.771 tors. eta vs tors. theta energy: -217.530 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: 3, replica: 4 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -2540.438892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.438892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.438892 (E_RNA) where: Base-Base interactions energy: -1735.044 where: short stacking energy: -732.347 Base-Backbone interact. energy: -2.217 local terms energy: -803.177375 where: bonds (distance) C4'-P energy: -147.595 bonds (distance) P-C4' energy: -168.513 flat angles C4'-P-C4' energy: -168.371 flat angles P-C4'-P energy: -111.205 tors. eta vs tors. theta energy: -207.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -2409.883413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.883413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.883413 (E_RNA) where: Base-Base interactions energy: -1665.939 where: short stacking energy: -687.746 Base-Backbone interact. energy: -4.794 local terms energy: -739.149634 where: bonds (distance) C4'-P energy: -146.439 bonds (distance) P-C4' energy: -131.462 flat angles C4'-P-C4' energy: -157.163 flat angles P-C4'-P energy: -109.305 tors. eta vs tors. theta energy: -194.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -2102.370799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.370799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.370799 (E_RNA) where: Base-Base interactions energy: -1382.781 where: short stacking energy: -628.171 Base-Backbone interact. energy: -3.532 local terms energy: -716.057492 where: bonds (distance) C4'-P energy: -144.198 bonds (distance) P-C4' energy: -129.945 flat angles C4'-P-C4' energy: -163.674 flat angles P-C4'-P energy: -105.660 tors. eta vs tors. theta energy: -172.581 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: 6 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -2083.324446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.324446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.324446 (E_RNA) where: Base-Base interactions energy: -1398.082 where: short stacking energy: -609.481 Base-Backbone interact. energy: 0.228 local terms energy: -685.470561 where: bonds (distance) C4'-P energy: -147.544 bonds (distance) P-C4' energy: -138.111 flat angles C4'-P-C4' energy: -147.183 flat angles P-C4'-P energy: -98.498 tors. eta vs tors. theta energy: -154.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1626.920186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.920186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.920186 (E_RNA) where: Base-Base interactions energy: -1000.177 where: short stacking energy: -468.215 Base-Backbone interact. energy: -2.814 local terms energy: -623.929901 where: bonds (distance) C4'-P energy: -147.103 bonds (distance) P-C4' energy: -136.013 flat angles C4'-P-C4' energy: -150.138 flat angles P-C4'-P energy: -97.892 tors. eta vs tors. theta energy: -92.785 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: 3 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1398.392051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.392051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.392051 (E_RNA) where: Base-Base interactions energy: -867.578 where: short stacking energy: -399.336 Base-Backbone interact. energy: -3.786 local terms energy: -527.028797 where: bonds (distance) C4'-P energy: -143.345 bonds (distance) P-C4' energy: -126.692 flat angles C4'-P-C4' energy: -131.971 flat angles P-C4'-P energy: -71.673 tors. eta vs tors. theta energy: -53.348 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: 9, replica: 7 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -803.768113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.768113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.768113 (E_RNA) where: Base-Base interactions energy: -360.099 where: short stacking energy: -232.910 Base-Backbone interact. energy: -0.237 local terms energy: -443.431935 where: bonds (distance) C4'-P energy: -111.603 bonds (distance) P-C4' energy: -146.444 flat angles C4'-P-C4' energy: -113.212 flat angles P-C4'-P energy: -67.747 tors. eta vs tors. theta energy: -4.426 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: 9 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -802.107490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.107490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.107490 (E_RNA) where: Base-Base interactions energy: -363.618 where: short stacking energy: -204.905 Base-Backbone interact. energy: -1.057 local terms energy: -437.432538 where: bonds (distance) C4'-P energy: -131.112 bonds (distance) P-C4' energy: -151.094 flat angles C4'-P-C4' energy: -118.467 flat angles P-C4'-P energy: -47.777 tors. eta vs tors. theta energy: 11.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -2773.051806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.051806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.051806 (E_RNA) where: Base-Base interactions energy: -1881.171 where: short stacking energy: -793.719 Base-Backbone interact. energy: -6.635 local terms energy: -885.246128 where: bonds (distance) C4'-P energy: -172.338 bonds (distance) P-C4' energy: -158.495 flat angles C4'-P-C4' energy: -183.896 flat angles P-C4'-P energy: -134.369 tors. eta vs tors. theta energy: -236.148 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: 1 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -2575.322826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.322826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.322826 (E_RNA) where: Base-Base interactions energy: -1761.143 where: short stacking energy: -715.211 Base-Backbone interact. energy: -6.634 local terms energy: -807.545947 where: bonds (distance) C4'-P energy: -158.852 bonds (distance) P-C4' energy: -166.425 flat angles C4'-P-C4' energy: -168.729 flat angles P-C4'-P energy: -117.965 tors. eta vs tors. theta energy: -195.576 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: 3, replica: 4 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2562.871317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.871317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.871317 (E_RNA) where: Base-Base interactions energy: -1728.023 where: short stacking energy: -738.134 Base-Backbone interact. energy: -1.929 local terms energy: -832.919370 where: bonds (distance) C4'-P energy: -155.060 bonds (distance) P-C4' energy: -158.438 flat angles C4'-P-C4' energy: -183.583 flat angles P-C4'-P energy: -129.293 tors. eta vs tors. theta energy: -206.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -2434.379879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.379879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.379879 (E_RNA) where: Base-Base interactions energy: -1642.921 where: short stacking energy: -682.890 Base-Backbone interact. energy: -5.032 local terms energy: -786.426751 where: bonds (distance) C4'-P energy: -136.907 bonds (distance) P-C4' energy: -158.962 flat angles C4'-P-C4' energy: -178.000 flat angles P-C4'-P energy: -119.223 tors. eta vs tors. theta energy: -193.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -2247.774325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.774325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.774325 (E_RNA) where: Base-Base interactions energy: -1490.031 where: short stacking energy: -657.583 Base-Backbone interact. energy: -0.619 local terms energy: -757.124959 where: bonds (distance) C4'-P energy: -141.583 bonds (distance) P-C4' energy: -164.255 flat angles C4'-P-C4' energy: -165.871 flat angles P-C4'-P energy: -97.281 tors. eta vs tors. theta energy: -188.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -2054.222244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.222244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.222244 (E_RNA) where: Base-Base interactions energy: -1338.702 where: short stacking energy: -591.354 Base-Backbone interact. energy: -2.159 local terms energy: -713.361892 where: bonds (distance) C4'-P energy: -146.667 bonds (distance) P-C4' energy: -144.061 flat angles C4'-P-C4' energy: -162.436 flat angles P-C4'-P energy: -103.894 tors. eta vs tors. theta energy: -156.304 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: 10 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1626.184391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.184391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.184391 (E_RNA) where: Base-Base interactions energy: -1027.739 where: short stacking energy: -468.984 Base-Backbone interact. energy: -2.737 local terms energy: -595.707808 where: bonds (distance) C4'-P energy: -117.318 bonds (distance) P-C4' energy: -138.332 flat angles C4'-P-C4' energy: -146.429 flat angles P-C4'-P energy: -86.166 tors. eta vs tors. theta energy: -107.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1417.896995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.896995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.896995 (E_RNA) where: Base-Base interactions energy: -839.200 where: short stacking energy: -388.744 Base-Backbone interact. energy: 7.993 local terms energy: -586.690055 where: bonds (distance) C4'-P energy: -142.381 bonds (distance) P-C4' energy: -156.511 flat angles C4'-P-C4' energy: -128.014 flat angles P-C4'-P energy: -95.278 tors. eta vs tors. theta energy: -64.507 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: 7 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -786.066546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.066546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.066546 (E_RNA) where: Base-Base interactions energy: -358.723 where: short stacking energy: -246.346 Base-Backbone interact. energy: 2.792 local terms energy: -430.135372 where: bonds (distance) C4'-P energy: -122.002 bonds (distance) P-C4' energy: -127.915 flat angles C4'-P-C4' energy: -113.950 flat angles P-C4'-P energy: -70.237 tors. eta vs tors. theta energy: 3.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -714.956399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.956399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.956399 (E_RNA) where: Base-Base interactions energy: -270.956 where: short stacking energy: -175.964 Base-Backbone interact. energy: 0.705 local terms energy: -444.705496 where: bonds (distance) C4'-P energy: -143.576 bonds (distance) P-C4' energy: -136.987 flat angles C4'-P-C4' energy: -125.314 flat angles P-C4'-P energy: -54.925 tors. eta vs tors. theta energy: 16.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -2771.055701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.055701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.055701 (E_RNA) where: Base-Base interactions energy: -1876.911 where: short stacking energy: -790.098 Base-Backbone interact. energy: -3.458 local terms energy: -890.687326 where: bonds (distance) C4'-P energy: -174.217 bonds (distance) P-C4' energy: -172.999 flat angles C4'-P-C4' energy: -172.994 flat angles P-C4'-P energy: -126.253 tors. eta vs tors. theta energy: -244.224 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: 4 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -2597.756126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.756126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.756126 (E_RNA) where: Base-Base interactions energy: -1766.741 where: short stacking energy: -746.800 Base-Backbone interact. energy: -3.114 local terms energy: -827.901036 where: bonds (distance) C4'-P energy: -162.935 bonds (distance) P-C4' energy: -145.824 flat angles C4'-P-C4' energy: -172.790 flat angles P-C4'-P energy: -126.340 tors. eta vs tors. theta energy: -220.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -2537.533719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.533719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.533719 (E_RNA) where: Base-Base interactions energy: -1735.307 where: short stacking energy: -701.249 Base-Backbone interact. energy: -4.470 local terms energy: -797.756313 where: bonds (distance) C4'-P energy: -153.591 bonds (distance) P-C4' energy: -167.952 flat angles C4'-P-C4' energy: -172.682 flat angles P-C4'-P energy: -103.104 tors. eta vs tors. theta energy: -200.427 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: 4, replica: 8 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -2437.637614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.637614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.637614 (E_RNA) where: Base-Base interactions energy: -1681.558 where: short stacking energy: -700.794 Base-Backbone interact. energy: 6.912 local terms energy: -762.991357 where: bonds (distance) C4'-P energy: -138.266 bonds (distance) P-C4' energy: -152.260 flat angles C4'-P-C4' energy: -166.702 flat angles P-C4'-P energy: -105.163 tors. eta vs tors. theta energy: -200.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -2196.575154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.575154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.575154 (E_RNA) where: Base-Base interactions energy: -1474.835 where: short stacking energy: -659.500 Base-Backbone interact. energy: -1.358 local terms energy: -720.382852 where: bonds (distance) C4'-P energy: -143.524 bonds (distance) P-C4' energy: -140.073 flat angles C4'-P-C4' energy: -161.550 flat angles P-C4'-P energy: -98.006 tors. eta vs tors. theta energy: -177.229 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: 6, replica: 5 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -2016.920934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.920934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.920934 (E_RNA) where: Base-Base interactions energy: -1335.822 where: short stacking energy: -561.343 Base-Backbone interact. energy: -0.253 local terms energy: -680.846316 where: bonds (distance) C4'-P energy: -127.285 bonds (distance) P-C4' energy: -152.785 flat angles C4'-P-C4' energy: -148.516 flat angles P-C4'-P energy: -102.729 tors. eta vs tors. theta energy: -149.530 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: 7, replica: 10 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -1582.296686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.296686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.296686 (E_RNA) where: Base-Base interactions energy: -988.728 where: short stacking energy: -495.117 Base-Backbone interact. energy: -2.082 local terms energy: -591.486003 where: bonds (distance) C4'-P energy: -124.305 bonds (distance) P-C4' energy: -150.367 flat angles C4'-P-C4' energy: -148.290 flat angles P-C4'-P energy: -69.603 tors. eta vs tors. theta energy: -98.921 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: 3 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1422.283455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.283455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.283455 (E_RNA) where: Base-Base interactions energy: -902.964 where: short stacking energy: -414.457 Base-Backbone interact. energy: 2.325 local terms energy: -521.644852 where: bonds (distance) C4'-P energy: -105.320 bonds (distance) P-C4' energy: -135.581 flat angles C4'-P-C4' energy: -117.555 flat angles P-C4'-P energy: -78.648 tors. eta vs tors. theta energy: -84.540 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: 7 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -787.229683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.229683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.229683 (E_RNA) where: Base-Base interactions energy: -382.170 where: short stacking energy: -230.172 Base-Backbone interact. energy: -2.016 local terms energy: -403.043221 where: bonds (distance) C4'-P energy: -105.290 bonds (distance) P-C4' energy: -108.264 flat angles C4'-P-C4' energy: -127.630 flat angles P-C4'-P energy: -67.030 tors. eta vs tors. theta energy: 5.172 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: 10, replica: 9 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -735.717918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.717918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.717918 (E_RNA) where: Base-Base interactions energy: -323.436 where: short stacking energy: -220.517 Base-Backbone interact. energy: -1.582 local terms energy: -410.700411 where: bonds (distance) C4'-P energy: -124.121 bonds (distance) P-C4' energy: -133.876 flat angles C4'-P-C4' energy: -117.030 flat angles P-C4'-P energy: -60.056 tors. eta vs tors. theta energy: 24.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -2737.721925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.721925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.721925 (E_RNA) where: Base-Base interactions energy: -1853.241 where: short stacking energy: -786.946 Base-Backbone interact. energy: -4.243 local terms energy: -880.237353 where: bonds (distance) C4'-P energy: -169.603 bonds (distance) P-C4' energy: -169.618 flat angles C4'-P-C4' energy: -181.249 flat angles P-C4'-P energy: -126.735 tors. eta vs tors. theta energy: -233.033 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: 4 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -2561.339132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.339132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.339132 (E_RNA) where: Base-Base interactions energy: -1748.206 where: short stacking energy: -744.339 Base-Backbone interact. energy: -1.480 local terms energy: -811.653813 where: bonds (distance) C4'-P energy: -160.636 bonds (distance) P-C4' energy: -137.715 flat angles C4'-P-C4' energy: -173.751 flat angles P-C4'-P energy: -129.332 tors. eta vs tors. theta energy: -210.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -2513.743084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.743084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.743084 (E_RNA) where: Base-Base interactions energy: -1713.243 where: short stacking energy: -733.464 Base-Backbone interact. energy: -6.482 local terms energy: -794.017697 where: bonds (distance) C4'-P energy: -155.895 bonds (distance) P-C4' energy: -163.924 flat angles C4'-P-C4' energy: -172.268 flat angles P-C4'-P energy: -92.400 tors. eta vs tors. theta energy: -209.530 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: 4, replica: 8 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -2392.772466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.772466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.772466 (E_RNA) where: Base-Base interactions energy: -1685.597 where: short stacking energy: -683.753 Base-Backbone interact. energy: 2.359 local terms energy: -709.534210 where: bonds (distance) C4'-P energy: -107.147 bonds (distance) P-C4' energy: -139.382 flat angles C4'-P-C4' energy: -161.570 flat angles P-C4'-P energy: -115.471 tors. eta vs tors. theta energy: -185.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -2273.326393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.326393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.326393 (E_RNA) where: Base-Base interactions energy: -1537.151 where: short stacking energy: -654.630 Base-Backbone interact. energy: 0.597 local terms energy: -736.772492 where: bonds (distance) C4'-P energy: -147.626 bonds (distance) P-C4' energy: -125.746 flat angles C4'-P-C4' energy: -161.477 flat angles P-C4'-P energy: -111.684 tors. eta vs tors. theta energy: -190.239 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: 5 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -2065.168904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.168904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.168904 (E_RNA) where: Base-Base interactions energy: -1366.418 where: short stacking energy: -644.265 Base-Backbone interact. energy: -2.855 local terms energy: -695.896387 where: bonds (distance) C4'-P energy: -120.089 bonds (distance) P-C4' energy: -145.086 flat angles C4'-P-C4' energy: -155.395 flat angles P-C4'-P energy: -100.017 tors. eta vs tors. theta energy: -175.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -1566.744073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.744073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.744073 (E_RNA) where: Base-Base interactions energy: -958.667 where: short stacking energy: -453.386 Base-Backbone interact. energy: 1.396 local terms energy: -609.472654 where: bonds (distance) C4'-P energy: -150.123 bonds (distance) P-C4' energy: -121.468 flat angles C4'-P-C4' energy: -163.024 flat angles P-C4'-P energy: -84.993 tors. eta vs tors. theta energy: -89.864 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: 8, replica: 3 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1435.158857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.158857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.158857 (E_RNA) where: Base-Base interactions energy: -906.299 where: short stacking energy: -441.468 Base-Backbone interact. energy: 0.839 local terms energy: -529.698816 where: bonds (distance) C4'-P energy: -117.286 bonds (distance) P-C4' energy: -142.239 flat angles C4'-P-C4' energy: -117.047 flat angles P-C4'-P energy: -79.389 tors. eta vs tors. theta energy: -73.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -748.794565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.794565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.794565 (E_RNA) where: Base-Base interactions energy: -278.358 where: short stacking energy: -212.403 Base-Backbone interact. energy: -2.196 local terms energy: -468.240689 where: bonds (distance) C4'-P energy: -133.309 bonds (distance) P-C4' energy: -134.933 flat angles C4'-P-C4' energy: -119.553 flat angles P-C4'-P energy: -82.803 tors. eta vs tors. theta energy: 2.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -707.944006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.944006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.944006 (E_RNA) where: Base-Base interactions energy: -272.119 where: short stacking energy: -197.071 Base-Backbone interact. energy: 0.595 local terms energy: -436.419454 where: bonds (distance) C4'-P energy: -127.327 bonds (distance) P-C4' energy: -138.953 flat angles C4'-P-C4' energy: -115.561 flat angles P-C4'-P energy: -76.714 tors. eta vs tors. theta energy: 22.135 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: 2 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -2782.197824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.197824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.197824 (E_RNA) where: Base-Base interactions energy: -1894.807 where: short stacking energy: -782.389 Base-Backbone interact. energy: -1.802 local terms energy: -885.588935 where: bonds (distance) C4'-P energy: -164.294 bonds (distance) P-C4' energy: -163.409 flat angles C4'-P-C4' energy: -190.094 flat angles P-C4'-P energy: -121.103 tors. eta vs tors. theta energy: -246.691 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: 383 Temperature: 0.950000 Total energy: -2625.816700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.816700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.816700 (E_RNA) where: Base-Base interactions energy: -1809.666 where: short stacking energy: -739.623 Base-Backbone interact. energy: 1.528 local terms energy: -817.679405 where: bonds (distance) C4'-P energy: -163.216 bonds (distance) P-C4' energy: -143.307 flat angles C4'-P-C4' energy: -186.598 flat angles P-C4'-P energy: -126.174 tors. eta vs tors. theta energy: -198.384 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: 3, replica: 1 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -2517.376060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.376060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.376060 (E_RNA) where: Base-Base interactions energy: -1768.622 where: short stacking energy: -730.730 Base-Backbone interact. energy: -8.828 local terms energy: -739.925985 where: bonds (distance) C4'-P energy: -141.515 bonds (distance) P-C4' energy: -144.767 flat angles C4'-P-C4' energy: -156.668 flat angles P-C4'-P energy: -106.015 tors. eta vs tors. theta energy: -190.961 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: 4, replica: 8 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -2418.378353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.378353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.378353 (E_RNA) where: Base-Base interactions energy: -1659.118 where: short stacking energy: -672.404 Base-Backbone interact. energy: -1.952 local terms energy: -757.307566 where: bonds (distance) C4'-P energy: -139.093 bonds (distance) P-C4' energy: -157.799 flat angles C4'-P-C4' energy: -167.712 flat angles P-C4'-P energy: -102.260 tors. eta vs tors. theta energy: -190.444 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: 383 Temperature: 1.100000 Total energy: -2249.369540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.369540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.369540 (E_RNA) where: Base-Base interactions energy: -1514.467 where: short stacking energy: -702.455 Base-Backbone interact. energy: 0.419 local terms energy: -735.321002 where: bonds (distance) C4'-P energy: -130.006 bonds (distance) P-C4' energy: -140.798 flat angles C4'-P-C4' energy: -179.007 flat angles P-C4'-P energy: -93.953 tors. eta vs tors. theta energy: -191.557 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: 6, replica: 5 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -2029.165735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.165735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.165735 (E_RNA) where: Base-Base interactions energy: -1341.138 where: short stacking energy: -612.764 Base-Backbone interact. energy: -2.784 local terms energy: -685.243068 where: bonds (distance) C4'-P energy: -138.192 bonds (distance) P-C4' energy: -146.407 flat angles C4'-P-C4' energy: -160.204 flat angles P-C4'-P energy: -87.349 tors. eta vs tors. theta energy: -153.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -1567.371666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.371666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.371666 (E_RNA) where: Base-Base interactions energy: -959.889 where: short stacking energy: -464.864 Base-Backbone interact. energy: -1.184 local terms energy: -606.298251 where: bonds (distance) C4'-P energy: -132.851 bonds (distance) P-C4' energy: -146.262 flat angles C4'-P-C4' energy: -129.851 flat angles P-C4'-P energy: -95.055 tors. eta vs tors. theta energy: -102.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -1329.147641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.147641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.147641 (E_RNA) where: Base-Base interactions energy: -775.653 where: short stacking energy: -377.587 Base-Backbone interact. energy: 2.000 local terms energy: -555.494653 where: bonds (distance) C4'-P energy: -138.481 bonds (distance) P-C4' energy: -130.143 flat angles C4'-P-C4' energy: -141.767 flat angles P-C4'-P energy: -79.257 tors. eta vs tors. theta energy: -65.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -742.507009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.507009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.507009 (E_RNA) where: Base-Base interactions energy: -306.835 where: short stacking energy: -215.025 Base-Backbone interact. energy: 3.617 local terms energy: -439.289102 where: bonds (distance) C4'-P energy: -115.401 bonds (distance) P-C4' energy: -132.140 flat angles C4'-P-C4' energy: -122.935 flat angles P-C4'-P energy: -79.372 tors. eta vs tors. theta energy: 10.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -680.116469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.116469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.116469 (E_RNA) where: Base-Base interactions energy: -299.395 where: short stacking energy: -191.256 Base-Backbone interact. energy: -2.887 local terms energy: -377.834872 where: bonds (distance) C4'-P energy: -112.071 bonds (distance) P-C4' energy: -142.758 flat angles C4'-P-C4' energy: -104.002 flat angles P-C4'-P energy: -48.893 tors. eta vs tors. theta energy: 29.889 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: 2 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -2765.272156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.272156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.272156 (E_RNA) where: Base-Base interactions energy: -1919.216 where: short stacking energy: -811.085 Base-Backbone interact. energy: 4.668 local terms energy: -850.723400 where: bonds (distance) C4'-P energy: -153.083 bonds (distance) P-C4' energy: -168.073 flat angles C4'-P-C4' energy: -182.676 flat angles P-C4'-P energy: -111.606 tors. eta vs tors. theta energy: -235.287 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: 4 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -2610.369235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.369235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.369235 (E_RNA) where: Base-Base interactions energy: -1803.803 where: short stacking energy: -752.128 Base-Backbone interact. energy: -5.926 local terms energy: -800.640462 where: bonds (distance) C4'-P energy: -161.135 bonds (distance) P-C4' energy: -154.063 flat angles C4'-P-C4' energy: -179.922 flat angles P-C4'-P energy: -114.225 tors. eta vs tors. theta energy: -191.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2516.978825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.978825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.978825 (E_RNA) where: Base-Base interactions energy: -1682.147 where: short stacking energy: -710.443 Base-Backbone interact. energy: -3.823 local terms energy: -831.007994 where: bonds (distance) C4'-P energy: -153.840 bonds (distance) P-C4' energy: -158.694 flat angles C4'-P-C4' energy: -185.008 flat angles P-C4'-P energy: -112.688 tors. eta vs tors. theta energy: -220.779 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: 8 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -2462.405951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.405951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.405951 (E_RNA) where: Base-Base interactions energy: -1674.277 where: short stacking energy: -701.656 Base-Backbone interact. energy: -5.387 local terms energy: -782.741740 where: bonds (distance) C4'-P energy: -148.833 bonds (distance) P-C4' energy: -161.365 flat angles C4'-P-C4' energy: -164.643 flat angles P-C4'-P energy: -100.732 tors. eta vs tors. theta energy: -207.169 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: 5, replica: 6 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -2244.824866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.824866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.824866 (E_RNA) where: Base-Base interactions energy: -1479.519 where: short stacking energy: -652.741 Base-Backbone interact. energy: -1.209 local terms energy: -764.096800 where: bonds (distance) C4'-P energy: -164.064 bonds (distance) P-C4' energy: -153.485 flat angles C4'-P-C4' energy: -162.236 flat angles P-C4'-P energy: -95.112 tors. eta vs tors. theta energy: -189.200 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: 6, replica: 5 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -2037.376099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.376099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.376099 (E_RNA) where: Base-Base interactions energy: -1329.545 where: short stacking energy: -585.100 Base-Backbone interact. energy: -4.918 local terms energy: -702.912446 where: bonds (distance) C4'-P energy: -132.253 bonds (distance) P-C4' energy: -157.255 flat angles C4'-P-C4' energy: -146.013 flat angles P-C4'-P energy: -96.416 tors. eta vs tors. theta energy: -170.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1543.907055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.907055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.907055 (E_RNA) where: Base-Base interactions energy: -952.644 where: short stacking energy: -441.347 Base-Backbone interact. energy: -2.324 local terms energy: -588.938598 where: bonds (distance) C4'-P energy: -119.235 bonds (distance) P-C4' energy: -154.930 flat angles C4'-P-C4' energy: -138.930 flat angles P-C4'-P energy: -86.301 tors. eta vs tors. theta energy: -89.543 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: 3 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -1399.495588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.495588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.495588 (E_RNA) where: Base-Base interactions energy: -846.991 where: short stacking energy: -400.066 Base-Backbone interact. energy: 0.476 local terms energy: -552.980410 where: bonds (distance) C4'-P energy: -138.997 bonds (distance) P-C4' energy: -143.777 flat angles C4'-P-C4' energy: -128.966 flat angles P-C4'-P energy: -69.364 tors. eta vs tors. theta energy: -71.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -757.961066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.961066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.961066 (E_RNA) where: Base-Base interactions energy: -319.883 where: short stacking energy: -202.331 Base-Backbone interact. energy: 7.264 local terms energy: -445.342380 where: bonds (distance) C4'-P energy: -130.163 bonds (distance) P-C4' energy: -139.802 flat angles C4'-P-C4' energy: -123.071 flat angles P-C4'-P energy: -59.281 tors. eta vs tors. theta energy: 6.975 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: 9 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -695.843264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.843264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.843264 (E_RNA) where: Base-Base interactions energy: -258.714 where: short stacking energy: -174.990 Base-Backbone interact. energy: 1.232 local terms energy: -438.361189 where: bonds (distance) C4'-P energy: -134.645 bonds (distance) P-C4' energy: -132.779 flat angles C4'-P-C4' energy: -122.993 flat angles P-C4'-P energy: -72.410 tors. eta vs tors. theta energy: 24.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -2738.397380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.397380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.397380 (E_RNA) where: Base-Base interactions energy: -1872.553 where: short stacking energy: -767.351 Base-Backbone interact. energy: -4.195 local terms energy: -861.650110 where: bonds (distance) C4'-P energy: -159.582 bonds (distance) P-C4' energy: -164.861 flat angles C4'-P-C4' energy: -187.755 flat angles P-C4'-P energy: -125.926 tors. eta vs tors. theta energy: -223.526 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: 4 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -2611.069877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.069877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.069877 (E_RNA) where: Base-Base interactions energy: -1784.964 where: short stacking energy: -750.651 Base-Backbone interact. energy: -6.205 local terms energy: -819.901024 where: bonds (distance) C4'-P energy: -150.512 bonds (distance) P-C4' energy: -144.600 flat angles C4'-P-C4' energy: -181.892 flat angles P-C4'-P energy: -125.482 tors. eta vs tors. theta energy: -217.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -2489.163190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.163190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.163190 (E_RNA) where: Base-Base interactions energy: -1679.358 where: short stacking energy: -703.897 Base-Backbone interact. energy: -6.864 local terms energy: -802.941694 where: bonds (distance) C4'-P energy: -153.219 bonds (distance) P-C4' energy: -165.246 flat angles C4'-P-C4' energy: -176.989 flat angles P-C4'-P energy: -111.474 tors. eta vs tors. theta energy: -196.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -2432.471245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.471245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.471245 (E_RNA) where: Base-Base interactions energy: -1669.717 where: short stacking energy: -685.584 Base-Backbone interact. energy: 0.251 local terms energy: -763.005515 where: bonds (distance) C4'-P energy: -132.393 bonds (distance) P-C4' energy: -163.895 flat angles C4'-P-C4' energy: -174.750 flat angles P-C4'-P energy: -100.561 tors. eta vs tors. theta energy: -191.406 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: 6 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -2211.784644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.784644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.784644 (E_RNA) where: Base-Base interactions energy: -1481.242 where: short stacking energy: -626.033 Base-Backbone interact. energy: 7.079 local terms energy: -737.622258 where: bonds (distance) C4'-P energy: -159.801 bonds (distance) P-C4' energy: -154.468 flat angles C4'-P-C4' energy: -167.710 flat angles P-C4'-P energy: -86.604 tors. eta vs tors. theta energy: -169.039 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: 6, replica: 5 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1997.483393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.483393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.483393 (E_RNA) where: Base-Base interactions energy: -1319.478 where: short stacking energy: -583.937 Base-Backbone interact. energy: 3.294 local terms energy: -681.298711 where: bonds (distance) C4'-P energy: -116.202 bonds (distance) P-C4' energy: -154.586 flat angles C4'-P-C4' energy: -149.575 flat angles P-C4'-P energy: -110.602 tors. eta vs tors. theta energy: -150.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -1603.583452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.583452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.583452 (E_RNA) where: Base-Base interactions energy: -1002.552 where: short stacking energy: -434.260 Base-Backbone interact. energy: -0.743 local terms energy: -600.288845 where: bonds (distance) C4'-P energy: -137.209 bonds (distance) P-C4' energy: -142.218 flat angles C4'-P-C4' energy: -148.554 flat angles P-C4'-P energy: -76.644 tors. eta vs tors. theta energy: -95.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1477.041962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.041962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.041962 (E_RNA) where: Base-Base interactions energy: -907.591 where: short stacking energy: -441.922 Base-Backbone interact. energy: 1.636 local terms energy: -571.086100 where: bonds (distance) C4'-P energy: -112.998 bonds (distance) P-C4' energy: -150.951 flat angles C4'-P-C4' energy: -135.791 flat angles P-C4'-P energy: -83.097 tors. eta vs tors. theta energy: -88.249 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: 9, replica: 7 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -725.525298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.525298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.525298 (E_RNA) where: Base-Base interactions energy: -301.372 where: short stacking energy: -201.302 Base-Backbone interact. energy: 0.663 local terms energy: -424.816059 where: bonds (distance) C4'-P energy: -148.493 bonds (distance) P-C4' energy: -131.404 flat angles C4'-P-C4' energy: -108.052 flat angles P-C4'-P energy: -48.841 tors. eta vs tors. theta energy: 11.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -625.978483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.978483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.978483 (E_RNA) where: Base-Base interactions energy: -246.077 where: short stacking energy: -163.618 Base-Backbone interact. energy: -1.919 local terms energy: -377.982023 where: bonds (distance) C4'-P energy: -115.539 bonds (distance) P-C4' energy: -116.302 flat angles C4'-P-C4' energy: -108.833 flat angles P-C4'-P energy: -63.924 tors. eta vs tors. theta energy: 26.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -2752.754790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.754790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.754790 (E_RNA) where: Base-Base interactions energy: -1901.677 where: short stacking energy: -776.354 Base-Backbone interact. energy: -6.103 local terms energy: -844.974835 where: bonds (distance) C4'-P energy: -160.019 bonds (distance) P-C4' energy: -169.442 flat angles C4'-P-C4' energy: -178.984 flat angles P-C4'-P energy: -117.506 tors. eta vs tors. theta energy: -219.023 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: 4 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -2648.832977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.832977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.832977 (E_RNA) where: Base-Base interactions energy: -1788.834 where: short stacking energy: -758.717 Base-Backbone interact. energy: -7.358 local terms energy: -852.640659 where: bonds (distance) C4'-P energy: -169.296 bonds (distance) P-C4' energy: -169.870 flat angles C4'-P-C4' energy: -184.534 flat angles P-C4'-P energy: -117.392 tors. eta vs tors. theta energy: -211.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -2517.094473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.094473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.094473 (E_RNA) where: Base-Base interactions energy: -1757.484 where: short stacking energy: -728.193 Base-Backbone interact. energy: -1.678 local terms energy: -757.932395 where: bonds (distance) C4'-P energy: -150.687 bonds (distance) P-C4' energy: -150.420 flat angles C4'-P-C4' energy: -167.581 flat angles P-C4'-P energy: -100.880 tors. eta vs tors. theta energy: -188.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -2402.652505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.652505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.652505 (E_RNA) where: Base-Base interactions energy: -1610.023 where: short stacking energy: -685.676 Base-Backbone interact. energy: -1.424 local terms energy: -791.204987 where: bonds (distance) C4'-P energy: -165.748 bonds (distance) P-C4' energy: -156.456 flat angles C4'-P-C4' energy: -171.847 flat angles P-C4'-P energy: -107.067 tors. eta vs tors. theta energy: -190.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -2174.026025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.026025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.026025 (E_RNA) where: Base-Base interactions energy: -1465.294 where: short stacking energy: -630.053 Base-Backbone interact. energy: -3.389 local terms energy: -705.343390 where: bonds (distance) C4'-P energy: -135.292 bonds (distance) P-C4' energy: -137.230 flat angles C4'-P-C4' energy: -153.573 flat angles P-C4'-P energy: -98.662 tors. eta vs tors. theta energy: -180.586 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: 6, replica: 5 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -1885.941885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.941885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.941885 (E_RNA) where: Base-Base interactions energy: -1241.814 where: short stacking energy: -543.105 Base-Backbone interact. energy: -1.193 local terms energy: -642.934866 where: bonds (distance) C4'-P energy: -129.511 bonds (distance) P-C4' energy: -141.281 flat angles C4'-P-C4' energy: -152.417 flat angles P-C4'-P energy: -89.601 tors. eta vs tors. theta energy: -130.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1590.328474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.328474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.328474 (E_RNA) where: Base-Base interactions energy: -981.150 where: short stacking energy: -461.544 Base-Backbone interact. energy: -0.841 local terms energy: -608.337154 where: bonds (distance) C4'-P energy: -145.479 bonds (distance) P-C4' energy: -150.731 flat angles C4'-P-C4' energy: -119.174 flat angles P-C4'-P energy: -82.812 tors. eta vs tors. theta energy: -110.141 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: 8, replica: 3 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1376.329440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.329440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.329440 (E_RNA) where: Base-Base interactions energy: -846.305 where: short stacking energy: -404.976 Base-Backbone interact. energy: -0.013 local terms energy: -530.011160 where: bonds (distance) C4'-P energy: -135.381 bonds (distance) P-C4' energy: -124.960 flat angles C4'-P-C4' energy: -132.714 flat angles P-C4'-P energy: -88.887 tors. eta vs tors. theta energy: -48.069 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: 7 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -767.558841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.558841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.558841 (E_RNA) where: Base-Base interactions energy: -321.237 where: short stacking energy: -216.527 Base-Backbone interact. energy: -0.343 local terms energy: -445.979582 where: bonds (distance) C4'-P energy: -129.507 bonds (distance) P-C4' energy: -138.172 flat angles C4'-P-C4' energy: -123.000 flat angles P-C4'-P energy: -68.368 tors. eta vs tors. theta energy: 13.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -653.410691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.410691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.410691 (E_RNA) where: Base-Base interactions energy: -276.615 where: short stacking energy: -194.634 Base-Backbone interact. energy: -2.224 local terms energy: -374.571668 where: bonds (distance) C4'-P energy: -104.944 bonds (distance) P-C4' energy: -134.975 flat angles C4'-P-C4' energy: -107.104 flat angles P-C4'-P energy: -52.285 tors. eta vs tors. theta energy: 24.736 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: 1, replica: 2 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -2721.974721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.974721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.974721 (E_RNA) where: Base-Base interactions energy: -1874.836 where: short stacking energy: -776.256 Base-Backbone interact. energy: 0.118 local terms energy: -847.256871 where: bonds (distance) C4'-P energy: -145.603 bonds (distance) P-C4' energy: -157.682 flat angles C4'-P-C4' energy: -198.721 flat angles P-C4'-P energy: -121.585 tors. eta vs tors. theta energy: -223.665 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: 4 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -2623.595467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.595467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.595467 (E_RNA) where: Base-Base interactions energy: -1795.668 where: short stacking energy: -772.141 Base-Backbone interact. energy: -3.412 local terms energy: -824.515172 where: bonds (distance) C4'-P energy: -142.069 bonds (distance) P-C4' energy: -165.128 flat angles C4'-P-C4' energy: -184.704 flat angles P-C4'-P energy: -112.153 tors. eta vs tors. theta energy: -220.461 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: 3, replica: 1 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -2528.203105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.203105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.203105 (E_RNA) where: Base-Base interactions energy: -1708.921 where: short stacking energy: -704.477 Base-Backbone interact. energy: -3.257 local terms energy: -816.025413 where: bonds (distance) C4'-P energy: -167.534 bonds (distance) P-C4' energy: -153.759 flat angles C4'-P-C4' energy: -179.039 flat angles P-C4'-P energy: -105.076 tors. eta vs tors. theta energy: -210.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -2392.594174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.594174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.594174 (E_RNA) where: Base-Base interactions energy: -1627.719 where: short stacking energy: -707.443 Base-Backbone interact. energy: -2.393 local terms energy: -762.482227 where: bonds (distance) C4'-P energy: -131.471 bonds (distance) P-C4' energy: -138.525 flat angles C4'-P-C4' energy: -186.515 flat angles P-C4'-P energy: -113.178 tors. eta vs tors. theta energy: -192.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -2200.839767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.839767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.839767 (E_RNA) where: Base-Base interactions energy: -1500.025 where: short stacking energy: -647.090 Base-Backbone interact. energy: 2.334 local terms energy: -703.147991 where: bonds (distance) C4'-P energy: -127.348 bonds (distance) P-C4' energy: -128.232 flat angles C4'-P-C4' energy: -155.878 flat angles P-C4'-P energy: -100.480 tors. eta vs tors. theta energy: -191.209 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: 5 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -1954.848685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.848685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.848685 (E_RNA) where: Base-Base interactions energy: -1267.817 where: short stacking energy: -605.164 Base-Backbone interact. energy: -0.165 local terms energy: -686.867140 where: bonds (distance) C4'-P energy: -126.205 bonds (distance) P-C4' energy: -138.305 flat angles C4'-P-C4' energy: -153.224 flat angles P-C4'-P energy: -98.464 tors. eta vs tors. theta energy: -170.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -1544.544231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.544231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.544231 (E_RNA) where: Base-Base interactions energy: -949.504 where: short stacking energy: -455.670 Base-Backbone interact. energy: -3.283 local terms energy: -591.757094 where: bonds (distance) C4'-P energy: -146.278 bonds (distance) P-C4' energy: -149.909 flat angles C4'-P-C4' energy: -127.066 flat angles P-C4'-P energy: -77.889 tors. eta vs tors. theta energy: -90.614 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: 3 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1447.776590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.776590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.776590 (E_RNA) where: Base-Base interactions energy: -918.892 where: short stacking energy: -442.795 Base-Backbone interact. energy: -1.458 local terms energy: -527.426053 where: bonds (distance) C4'-P energy: -115.899 bonds (distance) P-C4' energy: -125.779 flat angles C4'-P-C4' energy: -134.534 flat angles P-C4'-P energy: -68.518 tors. eta vs tors. theta energy: -82.697 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: 7 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -777.750225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.750225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.750225 (E_RNA) where: Base-Base interactions energy: -385.897 where: short stacking energy: -247.558 Base-Backbone interact. energy: -0.961 local terms energy: -390.892093 where: bonds (distance) C4'-P energy: -94.149 bonds (distance) P-C4' energy: -143.511 flat angles C4'-P-C4' energy: -90.709 flat angles P-C4'-P energy: -72.839 tors. eta vs tors. theta energy: 10.315 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: 9 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -688.324606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.324606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.324606 (E_RNA) where: Base-Base interactions energy: -287.630 where: short stacking energy: -170.911 Base-Backbone interact. energy: 3.921 local terms energy: -404.615330 where: bonds (distance) C4'-P energy: -112.317 bonds (distance) P-C4' energy: -144.223 flat angles C4'-P-C4' energy: -100.712 flat angles P-C4'-P energy: -75.204 tors. eta vs tors. theta energy: 27.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -2753.542874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.542874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.542874 (E_RNA) where: Base-Base interactions energy: -1895.179 where: short stacking energy: -805.122 Base-Backbone interact. energy: -3.686 local terms energy: -854.678688 where: bonds (distance) C4'-P energy: -153.225 bonds (distance) P-C4' energy: -163.883 flat angles C4'-P-C4' energy: -170.529 flat angles P-C4'-P energy: -127.797 tors. eta vs tors. theta energy: -239.245 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: 4 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -2604.492896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.492896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.492896 (E_RNA) where: Base-Base interactions energy: -1784.194 where: short stacking energy: -769.862 Base-Backbone interact. energy: -2.906 local terms energy: -817.393139 where: bonds (distance) C4'-P energy: -140.944 bonds (distance) P-C4' energy: -152.381 flat angles C4'-P-C4' energy: -181.951 flat angles P-C4'-P energy: -126.055 tors. eta vs tors. theta energy: -216.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -2530.611644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.611644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.611644 (E_RNA) where: Base-Base interactions energy: -1707.660 where: short stacking energy: -742.393 Base-Backbone interact. energy: -6.276 local terms energy: -816.675287 where: bonds (distance) C4'-P energy: -146.105 bonds (distance) P-C4' energy: -170.840 flat angles C4'-P-C4' energy: -164.914 flat angles P-C4'-P energy: -109.933 tors. eta vs tors. theta energy: -224.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -2417.076544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.076544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.076544 (E_RNA) where: Base-Base interactions energy: -1641.486 where: short stacking energy: -676.422 Base-Backbone interact. energy: -2.504 local terms energy: -773.086112 where: bonds (distance) C4'-P energy: -141.916 bonds (distance) P-C4' energy: -148.555 flat angles C4'-P-C4' energy: -175.446 flat angles P-C4'-P energy: -114.099 tors. eta vs tors. theta energy: -193.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -2149.424699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.424699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.424699 (E_RNA) where: Base-Base interactions energy: -1428.840 where: short stacking energy: -616.057 Base-Backbone interact. energy: -3.150 local terms energy: -717.434333 where: bonds (distance) C4'-P energy: -141.239 bonds (distance) P-C4' energy: -171.789 flat angles C4'-P-C4' energy: -140.100 flat angles P-C4'-P energy: -95.906 tors. eta vs tors. theta energy: -168.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -1995.772455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.772455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.772455 (E_RNA) where: Base-Base interactions energy: -1311.218 where: short stacking energy: -573.857 Base-Backbone interact. energy: -0.472 local terms energy: -684.082443 where: bonds (distance) C4'-P energy: -162.488 bonds (distance) P-C4' energy: -135.117 flat angles C4'-P-C4' energy: -151.552 flat angles P-C4'-P energy: -94.575 tors. eta vs tors. theta energy: -140.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -1520.350408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.350408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.350408 (E_RNA) where: Base-Base interactions energy: -913.426 where: short stacking energy: -424.123 Base-Backbone interact. energy: -0.540 local terms energy: -606.384343 where: bonds (distance) C4'-P energy: -142.612 bonds (distance) P-C4' energy: -122.056 flat angles C4'-P-C4' energy: -158.897 flat angles P-C4'-P energy: -98.543 tors. eta vs tors. theta energy: -84.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1406.686194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.686194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.686194 (E_RNA) where: Base-Base interactions energy: -890.184 where: short stacking energy: -438.534 Base-Backbone interact. energy: 1.123 local terms energy: -517.625200 where: bonds (distance) C4'-P energy: -106.398 bonds (distance) P-C4' energy: -128.752 flat angles C4'-P-C4' energy: -144.614 flat angles P-C4'-P energy: -76.545 tors. eta vs tors. theta energy: -61.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -768.857853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.857853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.857853 (E_RNA) where: Base-Base interactions energy: -334.438 where: short stacking energy: -186.628 Base-Backbone interact. energy: -2.795 local terms energy: -431.624023 where: bonds (distance) C4'-P energy: -109.971 bonds (distance) P-C4' energy: -137.414 flat angles C4'-P-C4' energy: -112.350 flat angles P-C4'-P energy: -85.468 tors. eta vs tors. theta energy: 13.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -670.925333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.925333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.925333 (E_RNA) where: Base-Base interactions energy: -275.336 where: short stacking energy: -168.388 Base-Backbone interact. energy: -2.146 local terms energy: -393.442919 where: bonds (distance) C4'-P energy: -137.647 bonds (distance) P-C4' energy: -131.519 flat angles C4'-P-C4' energy: -118.016 flat angles P-C4'-P energy: -49.243 tors. eta vs tors. theta energy: 42.981 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: 1, replica: 2 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -2750.088968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.088968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.088968 (E_RNA) where: Base-Base interactions energy: -1877.329 where: short stacking energy: -765.385 Base-Backbone interact. energy: -5.527 local terms energy: -867.232834 where: bonds (distance) C4'-P energy: -147.721 bonds (distance) P-C4' energy: -172.332 flat angles C4'-P-C4' energy: -189.307 flat angles P-C4'-P energy: -112.783 tors. eta vs tors. theta energy: -245.090 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: 4 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -2595.824186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.824186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.824186 (E_RNA) where: Base-Base interactions energy: -1748.821 where: short stacking energy: -724.642 Base-Backbone interact. energy: 2.461 local terms energy: -849.464257 where: bonds (distance) C4'-P energy: -165.645 bonds (distance) P-C4' energy: -159.709 flat angles C4'-P-C4' energy: -189.815 flat angles P-C4'-P energy: -126.509 tors. eta vs tors. theta energy: -207.787 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: 3, replica: 1 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -2537.969375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.969375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.969375 (E_RNA) where: Base-Base interactions energy: -1732.056 where: short stacking energy: -728.627 Base-Backbone interact. energy: -5.903 local terms energy: -800.011012 where: bonds (distance) C4'-P energy: -138.563 bonds (distance) P-C4' energy: -171.097 flat angles C4'-P-C4' energy: -174.707 flat angles P-C4'-P energy: -112.142 tors. eta vs tors. theta energy: -203.502 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: 8 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -2452.767848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.767848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.767848 (E_RNA) where: Base-Base interactions energy: -1684.884 where: short stacking energy: -685.693 Base-Backbone interact. energy: -7.800 local terms energy: -760.083364 where: bonds (distance) C4'-P energy: -133.015 bonds (distance) P-C4' energy: -160.778 flat angles C4'-P-C4' energy: -162.654 flat angles P-C4'-P energy: -99.561 tors. eta vs tors. theta energy: -204.074 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: 5, replica: 6 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -2221.549462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.549462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.549462 (E_RNA) where: Base-Base interactions energy: -1463.138 where: short stacking energy: -630.284 Base-Backbone interact. energy: -0.131 local terms energy: -758.280768 where: bonds (distance) C4'-P energy: -143.330 bonds (distance) P-C4' energy: -157.014 flat angles C4'-P-C4' energy: -168.800 flat angles P-C4'-P energy: -110.383 tors. eta vs tors. theta energy: -178.753 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: 5 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -1923.976320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.976320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.976320 (E_RNA) where: Base-Base interactions energy: -1247.643 where: short stacking energy: -564.212 Base-Backbone interact. energy: 1.722 local terms energy: -678.055121 where: bonds (distance) C4'-P energy: -136.474 bonds (distance) P-C4' energy: -124.320 flat angles C4'-P-C4' energy: -157.528 flat angles P-C4'-P energy: -110.588 tors. eta vs tors. theta energy: -149.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -1499.732138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.732138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.732138 (E_RNA) where: Base-Base interactions energy: -915.825 where: short stacking energy: -437.561 Base-Backbone interact. energy: -3.831 local terms energy: -580.075731 where: bonds (distance) C4'-P energy: -126.189 bonds (distance) P-C4' energy: -152.424 flat angles C4'-P-C4' energy: -149.950 flat angles P-C4'-P energy: -76.235 tors. eta vs tors. theta energy: -75.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1422.682977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.682977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.682977 (E_RNA) where: Base-Base interactions energy: -846.579 where: short stacking energy: -403.545 Base-Backbone interact. energy: 1.467 local terms energy: -577.570464 where: bonds (distance) C4'-P energy: -122.543 bonds (distance) P-C4' energy: -154.296 flat angles C4'-P-C4' energy: -135.400 flat angles P-C4'-P energy: -95.456 tors. eta vs tors. theta energy: -69.875 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: 9, replica: 7 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -702.948319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.948319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.948319 (E_RNA) where: Base-Base interactions energy: -289.845 where: short stacking energy: -181.598 Base-Backbone interact. energy: -3.077 local terms energy: -410.025770 where: bonds (distance) C4'-P energy: -120.850 bonds (distance) P-C4' energy: -147.486 flat angles C4'-P-C4' energy: -105.734 flat angles P-C4'-P energy: -60.223 tors. eta vs tors. theta energy: 24.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -710.610256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.610256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.610256 (E_RNA) where: Base-Base interactions energy: -303.020 where: short stacking energy: -193.724 Base-Backbone interact. energy: 4.527 local terms energy: -412.117460 where: bonds (distance) C4'-P energy: -128.545 bonds (distance) P-C4' energy: -115.386 flat angles C4'-P-C4' energy: -114.775 flat angles P-C4'-P energy: -68.474 tors. eta vs tors. theta energy: 15.063 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: 1, replica: 2 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -2761.377901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.377901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.377901 (E_RNA) where: Base-Base interactions energy: -1900.599 where: short stacking energy: -781.124 Base-Backbone interact. energy: -3.321 local terms energy: -857.458120 where: bonds (distance) C4'-P energy: -168.475 bonds (distance) P-C4' energy: -159.244 flat angles C4'-P-C4' energy: -186.029 flat angles P-C4'-P energy: -115.753 tors. eta vs tors. theta energy: -227.958 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: 2, replica: 4 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -2611.180984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.180984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.180984 (E_RNA) where: Base-Base interactions energy: -1788.386 where: short stacking energy: -718.204 Base-Backbone interact. energy: -3.851 local terms energy: -818.944438 where: bonds (distance) C4'-P energy: -150.698 bonds (distance) P-C4' energy: -159.431 flat angles C4'-P-C4' energy: -176.453 flat angles P-C4'-P energy: -126.117 tors. eta vs tors. theta energy: -206.246 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: 3, replica: 1 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -2558.555826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.555826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.555826 (E_RNA) where: Base-Base interactions energy: -1737.501 where: short stacking energy: -730.575 Base-Backbone interact. energy: -3.609 local terms energy: -817.445110 where: bonds (distance) C4'-P energy: -146.911 bonds (distance) P-C4' energy: -174.196 flat angles C4'-P-C4' energy: -176.825 flat angles P-C4'-P energy: -103.298 tors. eta vs tors. theta energy: -216.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -2438.417638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.417638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.417638 (E_RNA) where: Base-Base interactions energy: -1655.187 where: short stacking energy: -721.763 Base-Backbone interact. energy: 0.335 local terms energy: -783.565285 where: bonds (distance) C4'-P energy: -133.505 bonds (distance) P-C4' energy: -153.768 flat angles C4'-P-C4' energy: -172.897 flat angles P-C4'-P energy: -116.352 tors. eta vs tors. theta energy: -207.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -2232.176059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.176059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.176059 (E_RNA) where: Base-Base interactions energy: -1516.091 where: short stacking energy: -649.960 Base-Backbone interact. energy: -2.999 local terms energy: -713.086135 where: bonds (distance) C4'-P energy: -130.624 bonds (distance) P-C4' energy: -144.684 flat angles C4'-P-C4' energy: -153.326 flat angles P-C4'-P energy: -109.223 tors. eta vs tors. theta energy: -175.231 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: 5 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -1958.141822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.141822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.141822 (E_RNA) where: Base-Base interactions energy: -1277.308 where: short stacking energy: -544.798 Base-Backbone interact. energy: -0.535 local terms energy: -680.299011 where: bonds (distance) C4'-P energy: -141.384 bonds (distance) P-C4' energy: -139.642 flat angles C4'-P-C4' energy: -155.849 flat angles P-C4'-P energy: -103.298 tors. eta vs tors. theta energy: -140.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -1751.073420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.073420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.073420 (E_RNA) where: Base-Base interactions energy: -1150.217 where: short stacking energy: -521.080 Base-Backbone interact. energy: -2.594 local terms energy: -598.262044 where: bonds (distance) C4'-P energy: -138.557 bonds (distance) P-C4' energy: -130.762 flat angles C4'-P-C4' energy: -132.724 flat angles P-C4'-P energy: -82.989 tors. eta vs tors. theta energy: -113.230 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: 3 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1349.010106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.010106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.010106 (E_RNA) where: Base-Base interactions energy: -829.660 where: short stacking energy: -407.139 Base-Backbone interact. energy: -3.343 local terms energy: -516.007309 where: bonds (distance) C4'-P energy: -131.922 bonds (distance) P-C4' energy: -126.757 flat angles C4'-P-C4' energy: -126.997 flat angles P-C4'-P energy: -79.298 tors. eta vs tors. theta energy: -51.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -755.898039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.898039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.898039 (E_RNA) where: Base-Base interactions energy: -333.421 where: short stacking energy: -230.171 Base-Backbone interact. energy: -3.498 local terms energy: -418.979511 where: bonds (distance) C4'-P energy: -119.869 bonds (distance) P-C4' energy: -123.267 flat angles C4'-P-C4' energy: -123.972 flat angles P-C4'-P energy: -49.080 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: 10, replica: 7 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -712.001705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.001705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.001705 (E_RNA) where: Base-Base interactions energy: -323.281 where: short stacking energy: -194.795 Base-Backbone interact. energy: 0.603 local terms energy: -389.323357 where: bonds (distance) C4'-P energy: -120.286 bonds (distance) P-C4' energy: -132.737 flat angles C4'-P-C4' energy: -97.710 flat angles P-C4'-P energy: -62.897 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: 1, replica: 2 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -2746.813771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.813771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.813771 (E_RNA) where: Base-Base interactions energy: -1892.269 where: short stacking energy: -809.596 Base-Backbone interact. energy: -6.524 local terms energy: -848.021292 where: bonds (distance) C4'-P energy: -161.679 bonds (distance) P-C4' energy: -157.576 flat angles C4'-P-C4' energy: -166.507 flat angles P-C4'-P energy: -130.196 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: 2, replica: 1 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -2598.055679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.055679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.055679 (E_RNA) where: Base-Base interactions energy: -1797.720 where: short stacking energy: -773.075 Base-Backbone interact. energy: -2.546 local terms energy: -797.789332 where: bonds (distance) C4'-P energy: -151.213 bonds (distance) P-C4' energy: -167.378 flat angles C4'-P-C4' energy: -151.052 flat angles P-C4'-P energy: -103.668 tors. eta vs tors. theta energy: -224.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -2492.705062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.705062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.705062 (E_RNA) where: Base-Base interactions energy: -1715.843 where: short stacking energy: -731.190 Base-Backbone interact. energy: -2.873 local terms energy: -773.988798 where: bonds (distance) C4'-P energy: -143.795 bonds (distance) P-C4' energy: -145.495 flat angles C4'-P-C4' energy: -174.419 flat angles P-C4'-P energy: -114.598 tors. eta vs tors. theta energy: -195.682 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: 4, replica: 8 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -2425.242074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.242074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.242074 (E_RNA) where: Base-Base interactions energy: -1660.696 where: short stacking energy: -686.230 Base-Backbone interact. energy: -1.538 local terms energy: -763.007484 where: bonds (distance) C4'-P energy: -151.650 bonds (distance) P-C4' energy: -141.405 flat angles C4'-P-C4' energy: -155.382 flat angles P-C4'-P energy: -111.527 tors. eta vs tors. theta energy: -203.044 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: 6 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -2239.008078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.008078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.008078 (E_RNA) where: Base-Base interactions energy: -1486.282 where: short stacking energy: -663.962 Base-Backbone interact. energy: 1.783 local terms energy: -754.509345 where: bonds (distance) C4'-P energy: -145.619 bonds (distance) P-C4' energy: -150.409 flat angles C4'-P-C4' energy: -168.601 flat angles P-C4'-P energy: -100.844 tors. eta vs tors. theta energy: -189.037 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: 391 Temperature: 1.150000 Total energy: -1952.759170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.759170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.759170 (E_RNA) where: Base-Base interactions energy: -1254.247 where: short stacking energy: -584.879 Base-Backbone interact. energy: -2.628 local terms energy: -695.884371 where: bonds (distance) C4'-P energy: -156.242 bonds (distance) P-C4' energy: -134.995 flat angles C4'-P-C4' energy: -157.164 flat angles P-C4'-P energy: -97.191 tors. eta vs tors. theta energy: -150.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -1664.181397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.181397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.181397 (E_RNA) where: Base-Base interactions energy: -1054.860 where: short stacking energy: -493.140 Base-Backbone interact. energy: -2.167 local terms energy: -607.154654 where: bonds (distance) C4'-P energy: -120.400 bonds (distance) P-C4' energy: -136.693 flat angles C4'-P-C4' energy: -154.695 flat angles P-C4'-P energy: -86.779 tors. eta vs tors. theta energy: -108.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1316.166755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.166755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.166755 (E_RNA) where: Base-Base interactions energy: -763.325 where: short stacking energy: -343.314 Base-Backbone interact. energy: 0.035 local terms energy: -552.876650 where: bonds (distance) C4'-P energy: -137.387 bonds (distance) P-C4' energy: -141.216 flat angles C4'-P-C4' energy: -150.997 flat angles P-C4'-P energy: -64.351 tors. eta vs tors. theta energy: -58.926 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: 9 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -783.905001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.905001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.905001 (E_RNA) where: Base-Base interactions energy: -367.727 where: short stacking energy: -236.245 Base-Backbone interact. energy: 4.860 local terms energy: -421.038409 where: bonds (distance) C4'-P energy: -115.063 bonds (distance) P-C4' energy: -131.671 flat angles C4'-P-C4' energy: -123.704 flat angles P-C4'-P energy: -71.438 tors. eta vs tors. theta energy: 20.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -735.065091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.065091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.065091 (E_RNA) where: Base-Base interactions energy: -313.931 where: short stacking energy: -217.096 Base-Backbone interact. energy: 5.563 local terms energy: -426.697441 where: bonds (distance) C4'-P energy: -122.491 bonds (distance) P-C4' energy: -135.232 flat angles C4'-P-C4' energy: -103.842 flat angles P-C4'-P energy: -86.439 tors. eta vs tors. theta energy: 21.307 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: 1, replica: 2 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -2714.376389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.376389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.376389 (E_RNA) where: Base-Base interactions energy: -1869.507 where: short stacking energy: -778.160 Base-Backbone interact. energy: 1.115 local terms energy: -845.984815 where: bonds (distance) C4'-P energy: -140.456 bonds (distance) P-C4' energy: -167.652 flat angles C4'-P-C4' energy: -179.875 flat angles P-C4'-P energy: -125.854 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: 1 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -2598.765189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.765189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.765189 (E_RNA) where: Base-Base interactions energy: -1783.047 where: short stacking energy: -763.630 Base-Backbone interact. energy: -4.379 local terms energy: -811.339184 where: bonds (distance) C4'-P energy: -156.287 bonds (distance) P-C4' energy: -161.518 flat angles C4'-P-C4' energy: -161.906 flat angles P-C4'-P energy: -107.515 tors. eta vs tors. theta energy: -224.114 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: 8 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -2491.394764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.394764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.394764 (E_RNA) where: Base-Base interactions energy: -1718.022 where: short stacking energy: -709.246 Base-Backbone interact. energy: -4.787 local terms energy: -768.585599 where: bonds (distance) C4'-P energy: -143.810 bonds (distance) P-C4' energy: -131.458 flat angles C4'-P-C4' energy: -183.178 flat angles P-C4'-P energy: -98.183 tors. eta vs tors. theta energy: -211.956 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: 4, replica: 4 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -2439.326432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.326432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.326432 (E_RNA) where: Base-Base interactions energy: -1685.957 where: short stacking energy: -694.288 Base-Backbone interact. energy: -5.298 local terms energy: -748.071028 where: bonds (distance) C4'-P energy: -142.706 bonds (distance) P-C4' energy: -141.836 flat angles C4'-P-C4' energy: -157.733 flat angles P-C4'-P energy: -106.808 tors. eta vs tors. theta energy: -198.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -2257.169306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.169306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.169306 (E_RNA) where: Base-Base interactions energy: -1526.698 where: short stacking energy: -661.142 Base-Backbone interact. energy: -0.483 local terms energy: -729.987724 where: bonds (distance) C4'-P energy: -134.316 bonds (distance) P-C4' energy: -149.455 flat angles C4'-P-C4' energy: -170.796 flat angles P-C4'-P energy: -90.438 tors. eta vs tors. theta energy: -184.982 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: 392 Temperature: 1.150000 Total energy: -1888.321396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.321396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.321396 (E_RNA) where: Base-Base interactions energy: -1229.748 where: short stacking energy: -555.376 Base-Backbone interact. energy: 6.243 local terms energy: -664.815776 where: bonds (distance) C4'-P energy: -144.042 bonds (distance) P-C4' energy: -145.398 flat angles C4'-P-C4' energy: -162.472 flat angles P-C4'-P energy: -79.650 tors. eta vs tors. theta energy: -133.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1662.169368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.169368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.169368 (E_RNA) where: Base-Base interactions energy: -1075.140 where: short stacking energy: -454.168 Base-Backbone interact. energy: -1.968 local terms energy: -585.061239 where: bonds (distance) C4'-P energy: -133.117 bonds (distance) P-C4' energy: -139.954 flat angles C4'-P-C4' energy: -133.596 flat angles P-C4'-P energy: -77.377 tors. eta vs tors. theta energy: -101.017 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: 8, replica: 3 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1313.850731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.850731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.850731 (E_RNA) where: Base-Base interactions energy: -784.787 where: short stacking energy: -353.103 Base-Backbone interact. energy: -2.568 local terms energy: -526.495516 where: bonds (distance) C4'-P energy: -122.693 bonds (distance) P-C4' energy: -117.622 flat angles C4'-P-C4' energy: -154.424 flat angles P-C4'-P energy: -83.813 tors. eta vs tors. theta energy: -47.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -833.384556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.384556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.384556 (E_RNA) where: Base-Base interactions energy: -386.609 where: short stacking energy: -235.030 Base-Backbone interact. energy: 6.647 local terms energy: -453.422573 where: bonds (distance) C4'-P energy: -130.613 bonds (distance) P-C4' energy: -143.688 flat angles C4'-P-C4' energy: -99.342 flat angles P-C4'-P energy: -74.184 tors. eta vs tors. theta energy: -5.595 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: 10, replica: 7 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -741.702704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.702704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.702704 (E_RNA) where: Base-Base interactions energy: -318.541 where: short stacking energy: -196.586 Base-Backbone interact. energy: -0.696 local terms energy: -422.465475 where: bonds (distance) C4'-P energy: -121.032 bonds (distance) P-C4' energy: -141.200 flat angles C4'-P-C4' energy: -98.466 flat angles P-C4'-P energy: -86.795 tors. eta vs tors. theta energy: 25.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -2746.598525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.598525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.598525 (E_RNA) where: Base-Base interactions energy: -1887.459 where: short stacking energy: -783.316 Base-Backbone interact. energy: -1.903 local terms energy: -857.237281 where: bonds (distance) C4'-P energy: -161.668 bonds (distance) P-C4' energy: -159.103 flat angles C4'-P-C4' energy: -176.251 flat angles P-C4'-P energy: -120.381 tors. eta vs tors. theta energy: -239.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -2612.804578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.804578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.804578 (E_RNA) where: Base-Base interactions energy: -1761.504 where: short stacking energy: -766.367 Base-Backbone interact. energy: -3.982 local terms energy: -847.318084 where: bonds (distance) C4'-P energy: -171.707 bonds (distance) P-C4' energy: -144.951 flat angles C4'-P-C4' energy: -194.000 flat angles P-C4'-P energy: -112.518 tors. eta vs tors. theta energy: -224.142 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: 8 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -2499.713213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.713213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.713213 (E_RNA) where: Base-Base interactions energy: -1727.289 where: short stacking energy: -740.175 Base-Backbone interact. energy: -4.144 local terms energy: -768.280309 where: bonds (distance) C4'-P energy: -140.011 bonds (distance) P-C4' energy: -152.934 flat angles C4'-P-C4' energy: -159.414 flat angles P-C4'-P energy: -116.055 tors. eta vs tors. theta energy: -199.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -2423.333254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.333254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.333254 (E_RNA) where: Base-Base interactions energy: -1676.628 where: short stacking energy: -700.530 Base-Backbone interact. energy: -9.301 local terms energy: -737.404932 where: bonds (distance) C4'-P energy: -130.040 bonds (distance) P-C4' energy: -138.656 flat angles C4'-P-C4' energy: -167.091 flat angles P-C4'-P energy: -107.003 tors. eta vs tors. theta energy: -194.616 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: 6 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -2198.359742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.359742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.359742 (E_RNA) where: Base-Base interactions energy: -1482.634 where: short stacking energy: -648.855 Base-Backbone interact. energy: -0.300 local terms energy: -715.426110 where: bonds (distance) C4'-P energy: -141.552 bonds (distance) P-C4' energy: -153.233 flat angles C4'-P-C4' energy: -160.314 flat angles P-C4'-P energy: -100.636 tors. eta vs tors. theta energy: -159.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -1905.441500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.441500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.441500 (E_RNA) where: Base-Base interactions energy: -1239.284 where: short stacking energy: -544.748 Base-Backbone interact. energy: -1.223 local terms energy: -664.934501 where: bonds (distance) C4'-P energy: -147.774 bonds (distance) P-C4' energy: -147.410 flat angles C4'-P-C4' energy: -149.975 flat angles P-C4'-P energy: -70.158 tors. eta vs tors. theta energy: -149.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -1698.504968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.504968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.504968 (E_RNA) where: Base-Base interactions energy: -1073.934 where: short stacking energy: -496.463 Base-Backbone interact. energy: 0.053 local terms energy: -624.624038 where: bonds (distance) C4'-P energy: -147.852 bonds (distance) P-C4' energy: -130.668 flat angles C4'-P-C4' energy: -150.656 flat angles P-C4'-P energy: -67.534 tors. eta vs tors. theta energy: -127.913 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: 393 Temperature: 1.250000 Total energy: -1372.076002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.076002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.076002 (E_RNA) where: Base-Base interactions energy: -837.988 where: short stacking energy: -369.892 Base-Backbone interact. energy: 1.981 local terms energy: -536.068138 where: bonds (distance) C4'-P energy: -140.300 bonds (distance) P-C4' energy: -149.763 flat angles C4'-P-C4' energy: -123.127 flat angles P-C4'-P energy: -76.065 tors. eta vs tors. theta energy: -46.814 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: 9, replica: 9 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -902.251661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.251661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.251661 (E_RNA) where: Base-Base interactions energy: -473.324 where: short stacking energy: -304.638 Base-Backbone interact. energy: 8.915 local terms energy: -437.842963 where: bonds (distance) C4'-P energy: -109.729 bonds (distance) P-C4' energy: -141.913 flat angles C4'-P-C4' energy: -116.141 flat angles P-C4'-P energy: -56.912 tors. eta vs tors. theta energy: -13.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -724.266871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.266871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.266871 (E_RNA) where: Base-Base interactions energy: -323.940 where: short stacking energy: -224.567 Base-Backbone interact. energy: 0.817 local terms energy: -401.144456 where: bonds (distance) C4'-P energy: -123.725 bonds (distance) P-C4' energy: -124.615 flat angles C4'-P-C4' energy: -112.127 flat angles P-C4'-P energy: -70.142 tors. eta vs tors. theta energy: 29.465 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: 2 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -2740.314059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.314059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.314059 (E_RNA) where: Base-Base interactions energy: -1881.456 where: short stacking energy: -797.285 Base-Backbone interact. energy: -3.351 local terms energy: -855.507557 where: bonds (distance) C4'-P energy: -168.670 bonds (distance) P-C4' energy: -173.089 flat angles C4'-P-C4' energy: -169.623 flat angles P-C4'-P energy: -114.080 tors. eta vs tors. theta energy: -230.046 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: 1 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -2628.891676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.891676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.891676 (E_RNA) where: Base-Base interactions energy: -1816.808 where: short stacking energy: -762.760 Base-Backbone interact. energy: -4.559 local terms energy: -807.524690 where: bonds (distance) C4'-P energy: -150.130 bonds (distance) P-C4' energy: -152.246 flat angles C4'-P-C4' energy: -175.290 flat angles P-C4'-P energy: -100.457 tors. eta vs tors. theta energy: -229.401 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: 3, replica: 4 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -2491.486291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.486291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.486291 (E_RNA) where: Base-Base interactions energy: -1693.439 where: short stacking energy: -722.508 Base-Backbone interact. energy: 3.670 local terms energy: -801.717680 where: bonds (distance) C4'-P energy: -157.110 bonds (distance) P-C4' energy: -148.210 flat angles C4'-P-C4' energy: -179.273 flat angles P-C4'-P energy: -117.932 tors. eta vs tors. theta energy: -199.192 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: 8 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -2396.473037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.473037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.473037 (E_RNA) where: Base-Base interactions energy: -1648.855 where: short stacking energy: -674.938 Base-Backbone interact. energy: -2.063 local terms energy: -745.554782 where: bonds (distance) C4'-P energy: -133.112 bonds (distance) P-C4' energy: -143.406 flat angles C4'-P-C4' energy: -165.251 flat angles P-C4'-P energy: -108.620 tors. eta vs tors. theta energy: -195.167 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: 6 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -2201.141846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.141846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.141846 (E_RNA) where: Base-Base interactions energy: -1502.557 where: short stacking energy: -650.909 Base-Backbone interact. energy: -1.721 local terms energy: -696.863870 where: bonds (distance) C4'-P energy: -126.590 bonds (distance) P-C4' energy: -141.868 flat angles C4'-P-C4' energy: -158.441 flat angles P-C4'-P energy: -99.358 tors. eta vs tors. theta energy: -170.607 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: 6, replica: 5 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1945.371514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.371514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.371514 (E_RNA) where: Base-Base interactions energy: -1284.699 where: short stacking energy: -591.506 Base-Backbone interact. energy: -1.877 local terms energy: -658.795818 where: bonds (distance) C4'-P energy: -116.482 bonds (distance) P-C4' energy: -140.093 flat angles C4'-P-C4' energy: -155.571 flat angles P-C4'-P energy: -95.132 tors. eta vs tors. theta energy: -151.517 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: 10 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -1652.608649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.608649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.608649 (E_RNA) where: Base-Base interactions energy: -1056.338 where: short stacking energy: -475.244 Base-Backbone interact. energy: -2.456 local terms energy: -593.814856 where: bonds (distance) C4'-P energy: -133.617 bonds (distance) P-C4' energy: -140.979 flat angles C4'-P-C4' energy: -136.545 flat angles P-C4'-P energy: -85.743 tors. eta vs tors. theta energy: -96.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1434.430099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.430099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.430099 (E_RNA) where: Base-Base interactions energy: -871.880 where: short stacking energy: -400.110 Base-Backbone interact. energy: -3.410 local terms energy: -559.140822 where: bonds (distance) C4'-P energy: -140.630 bonds (distance) P-C4' energy: -115.431 flat angles C4'-P-C4' energy: -135.172 flat angles P-C4'-P energy: -90.948 tors. eta vs tors. theta energy: -76.960 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: 9 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -839.335392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.335392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.335392 (E_RNA) where: Base-Base interactions energy: -387.904 where: short stacking energy: -228.443 Base-Backbone interact. energy: 6.049 local terms energy: -457.481232 where: bonds (distance) C4'-P energy: -129.824 bonds (distance) P-C4' energy: -135.119 flat angles C4'-P-C4' energy: -129.026 flat angles P-C4'-P energy: -66.143 tors. eta vs tors. theta energy: 2.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -657.700844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.700844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.700844 (E_RNA) where: Base-Base interactions energy: -289.232 where: short stacking energy: -190.982 Base-Backbone interact. energy: 8.029 local terms energy: -376.497530 where: bonds (distance) C4'-P energy: -110.573 bonds (distance) P-C4' energy: -128.177 flat angles C4'-P-C4' energy: -90.116 flat angles P-C4'-P energy: -74.769 tors. eta vs tors. theta energy: 27.138 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: 1, replica: 2 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -2783.712053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.712053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.712053 (E_RNA) where: Base-Base interactions energy: -1929.463 where: short stacking energy: -791.309 Base-Backbone interact. energy: -5.621 local terms energy: -848.627549 where: bonds (distance) C4'-P energy: -157.333 bonds (distance) P-C4' energy: -163.109 flat angles C4'-P-C4' energy: -183.580 flat angles P-C4'-P energy: -108.726 tors. eta vs tors. theta energy: -235.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -2614.965969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.965969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.965969 (E_RNA) where: Base-Base interactions energy: -1796.530 where: short stacking energy: -733.892 Base-Backbone interact. energy: -4.584 local terms energy: -813.852263 where: bonds (distance) C4'-P energy: -162.574 bonds (distance) P-C4' energy: -157.025 flat angles C4'-P-C4' energy: -170.741 flat angles P-C4'-P energy: -104.814 tors. eta vs tors. theta energy: -218.698 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: 3, replica: 4 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2500.045565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.045565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.045565 (E_RNA) where: Base-Base interactions energy: -1712.848 where: short stacking energy: -718.055 Base-Backbone interact. energy: -1.645 local terms energy: -785.552543 where: bonds (distance) C4'-P energy: -138.551 bonds (distance) P-C4' energy: -153.494 flat angles C4'-P-C4' energy: -174.535 flat angles P-C4'-P energy: -129.065 tors. eta vs tors. theta energy: -189.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -2399.542714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.542714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.542714 (E_RNA) where: Base-Base interactions energy: -1621.465 where: short stacking energy: -661.231 Base-Backbone interact. energy: -6.784 local terms energy: -771.293704 where: bonds (distance) C4'-P energy: -156.204 bonds (distance) P-C4' energy: -156.513 flat angles C4'-P-C4' energy: -158.659 flat angles P-C4'-P energy: -114.617 tors. eta vs tors. theta energy: -185.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -2184.209046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.209046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.209046 (E_RNA) where: Base-Base interactions energy: -1471.855 where: short stacking energy: -623.778 Base-Backbone interact. energy: -4.889 local terms energy: -707.465252 where: bonds (distance) C4'-P energy: -148.513 bonds (distance) P-C4' energy: -153.142 flat angles C4'-P-C4' energy: -162.363 flat angles P-C4'-P energy: -81.813 tors. eta vs tors. theta energy: -161.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -1862.726354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.726354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.726354 (E_RNA) where: Base-Base interactions energy: -1192.225 where: short stacking energy: -529.525 Base-Backbone interact. energy: -1.680 local terms energy: -668.822000 where: bonds (distance) C4'-P energy: -133.484 bonds (distance) P-C4' energy: -145.141 flat angles C4'-P-C4' energy: -160.530 flat angles P-C4'-P energy: -100.846 tors. eta vs tors. theta energy: -128.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1607.761024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.761024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.761024 (E_RNA) where: Base-Base interactions energy: -1046.484 where: short stacking energy: -453.187 Base-Backbone interact. energy: 3.316 local terms energy: -564.593856 where: bonds (distance) C4'-P energy: -148.561 bonds (distance) P-C4' energy: -95.541 flat angles C4'-P-C4' energy: -135.051 flat angles P-C4'-P energy: -98.654 tors. eta vs tors. theta energy: -86.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -1424.568019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.568019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.568019 (E_RNA) where: Base-Base interactions energy: -885.076 where: short stacking energy: -422.104 Base-Backbone interact. energy: 2.045 local terms energy: -541.537553 where: bonds (distance) C4'-P energy: -118.957 bonds (distance) P-C4' energy: -140.318 flat angles C4'-P-C4' energy: -138.934 flat angles P-C4'-P energy: -72.452 tors. eta vs tors. theta energy: -70.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -898.285757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.285757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.285757 (E_RNA) where: Base-Base interactions energy: -451.143 where: short stacking energy: -228.749 Base-Backbone interact. energy: 0.925 local terms energy: -448.068579 where: bonds (distance) C4'-P energy: -146.027 bonds (distance) P-C4' energy: -121.431 flat angles C4'-P-C4' energy: -125.611 flat angles P-C4'-P energy: -68.592 tors. eta vs tors. theta energy: 13.592 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: 7 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -711.558312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.558312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.558312 (E_RNA) where: Base-Base interactions energy: -281.827 where: short stacking energy: -194.453 Base-Backbone interact. energy: -0.640 local terms energy: -429.091231 where: bonds (distance) C4'-P energy: -111.664 bonds (distance) P-C4' energy: -134.261 flat angles C4'-P-C4' energy: -124.428 flat angles P-C4'-P energy: -62.186 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: 1, replica: 2 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -2731.066142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.066142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.066142 (E_RNA) where: Base-Base interactions energy: -1862.400 where: short stacking energy: -771.454 Base-Backbone interact. energy: 3.951 local terms energy: -872.616815 where: bonds (distance) C4'-P energy: -169.753 bonds (distance) P-C4' energy: -167.517 flat angles C4'-P-C4' energy: -179.047 flat angles P-C4'-P energy: -119.111 tors. eta vs tors. theta energy: -237.190 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: 2, replica: 1 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -2604.040047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.040047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.040047 (E_RNA) where: Base-Base interactions energy: -1793.441 where: short stacking energy: -752.397 Base-Backbone interact. energy: -0.563 local terms energy: -810.036670 where: bonds (distance) C4'-P energy: -149.141 bonds (distance) P-C4' energy: -153.077 flat angles C4'-P-C4' energy: -186.782 flat angles P-C4'-P energy: -118.963 tors. eta vs tors. theta energy: -202.073 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: 3, replica: 8 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -2528.014474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.014474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.014474 (E_RNA) where: Base-Base interactions energy: -1716.989 where: short stacking energy: -735.706 Base-Backbone interact. energy: -5.147 local terms energy: -805.878177 where: bonds (distance) C4'-P energy: -159.736 bonds (distance) P-C4' energy: -146.202 flat angles C4'-P-C4' energy: -181.964 flat angles P-C4'-P energy: -101.805 tors. eta vs tors. theta energy: -216.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -2445.542276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.542276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.542276 (E_RNA) where: Base-Base interactions energy: -1684.534 where: short stacking energy: -726.374 Base-Backbone interact. energy: -2.662 local terms energy: -758.346500 where: bonds (distance) C4'-P energy: -143.003 bonds (distance) P-C4' energy: -142.548 flat angles C4'-P-C4' energy: -172.706 flat angles P-C4'-P energy: -105.372 tors. eta vs tors. theta energy: -194.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -2247.207655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.207655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.207655 (E_RNA) where: Base-Base interactions energy: -1544.101 where: short stacking energy: -667.593 Base-Backbone interact. energy: -1.595 local terms energy: -701.511837 where: bonds (distance) C4'-P energy: -139.368 bonds (distance) P-C4' energy: -154.436 flat angles C4'-P-C4' energy: -140.418 flat angles P-C4'-P energy: -84.803 tors. eta vs tors. theta energy: -182.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -1896.132592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.132592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.132592 (E_RNA) where: Base-Base interactions energy: -1224.033 where: short stacking energy: -584.733 Base-Backbone interact. energy: 1.675 local terms energy: -673.774673 where: bonds (distance) C4'-P energy: -149.294 bonds (distance) P-C4' energy: -149.494 flat angles C4'-P-C4' energy: -143.558 flat angles P-C4'-P energy: -80.732 tors. eta vs tors. theta energy: -150.696 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: 10 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1603.291948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.291948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.291948 (E_RNA) where: Base-Base interactions energy: -963.634 where: short stacking energy: -457.523 Base-Backbone interact. energy: -2.346 local terms energy: -637.311977 where: bonds (distance) C4'-P energy: -160.024 bonds (distance) P-C4' energy: -154.493 flat angles C4'-P-C4' energy: -150.852 flat angles P-C4'-P energy: -70.556 tors. eta vs tors. theta energy: -101.386 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: 8, replica: 3 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1343.316309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.316309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.316309 (E_RNA) where: Base-Base interactions energy: -791.586 where: short stacking energy: -412.565 Base-Backbone interact. energy: 4.826 local terms energy: -556.556349 where: bonds (distance) C4'-P energy: -126.676 bonds (distance) P-C4' energy: -160.406 flat angles C4'-P-C4' energy: -124.406 flat angles P-C4'-P energy: -87.221 tors. eta vs tors. theta energy: -57.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -829.783005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.783005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.783005 (E_RNA) where: Base-Base interactions energy: -369.924 where: short stacking energy: -223.615 Base-Backbone interact. energy: -1.117 local terms energy: -458.741944 where: bonds (distance) C4'-P energy: -132.351 bonds (distance) P-C4' energy: -152.125 flat angles C4'-P-C4' energy: -112.909 flat angles P-C4'-P energy: -66.462 tors. eta vs tors. theta energy: 5.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -712.822941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.822941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.822941 (E_RNA) where: Base-Base interactions energy: -301.162 where: short stacking energy: -179.506 Base-Backbone interact. energy: 2.073 local terms energy: -413.734439 where: bonds (distance) C4'-P energy: -138.223 bonds (distance) P-C4' energy: -117.322 flat angles C4'-P-C4' energy: -129.081 flat angles P-C4'-P energy: -67.254 tors. eta vs tors. theta energy: 38.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -2732.930142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.930142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.930142 (E_RNA) where: Base-Base interactions energy: -1893.073 where: short stacking energy: -773.825 Base-Backbone interact. energy: 0.510 local terms energy: -840.367615 where: bonds (distance) C4'-P energy: -163.970 bonds (distance) P-C4' energy: -160.980 flat angles C4'-P-C4' energy: -187.326 flat angles P-C4'-P energy: -117.382 tors. eta vs tors. theta energy: -210.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -2558.773687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.773687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.773687 (E_RNA) where: Base-Base interactions energy: -1740.273 where: short stacking energy: -744.025 Base-Backbone interact. energy: -1.131 local terms energy: -817.369516 where: bonds (distance) C4'-P energy: -171.322 bonds (distance) P-C4' energy: -155.312 flat angles C4'-P-C4' energy: -173.351 flat angles P-C4'-P energy: -105.569 tors. eta vs tors. theta energy: -211.815 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: 3, replica: 8 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -2508.983374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.983374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.983374 (E_RNA) where: Base-Base interactions energy: -1714.905 where: short stacking energy: -710.559 Base-Backbone interact. energy: -4.251 local terms energy: -789.826952 where: bonds (distance) C4'-P energy: -155.250 bonds (distance) P-C4' energy: -151.251 flat angles C4'-P-C4' energy: -173.368 flat angles P-C4'-P energy: -104.100 tors. eta vs tors. theta energy: -205.857 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: 4, replica: 4 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -2417.814796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.814796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.814796 (E_RNA) where: Base-Base interactions energy: -1661.452 where: short stacking energy: -713.707 Base-Backbone interact. energy: -3.721 local terms energy: -752.641547 where: bonds (distance) C4'-P energy: -160.620 bonds (distance) P-C4' energy: -136.994 flat angles C4'-P-C4' energy: -155.701 flat angles P-C4'-P energy: -97.007 tors. eta vs tors. theta energy: -202.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -2246.280290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.280290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.280290 (E_RNA) where: Base-Base interactions energy: -1542.982 where: short stacking energy: -666.254 Base-Backbone interact. energy: 5.801 local terms energy: -709.099946 where: bonds (distance) C4'-P energy: -135.496 bonds (distance) P-C4' energy: -131.409 flat angles C4'-P-C4' energy: -159.881 flat angles P-C4'-P energy: -112.177 tors. eta vs tors. theta energy: -170.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -1956.996004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.996004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.996004 (E_RNA) where: Base-Base interactions energy: -1246.404 where: short stacking energy: -592.900 Base-Backbone interact. energy: 2.086 local terms energy: -712.678080 where: bonds (distance) C4'-P energy: -145.983 bonds (distance) P-C4' energy: -137.095 flat angles C4'-P-C4' energy: -164.127 flat angles P-C4'-P energy: -104.038 tors. eta vs tors. theta energy: -161.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1631.893707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.893707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.893707 (E_RNA) where: Base-Base interactions energy: -1029.776 where: short stacking energy: -444.390 Base-Backbone interact. energy: 1.358 local terms energy: -603.475441 where: bonds (distance) C4'-P energy: -144.707 bonds (distance) P-C4' energy: -158.229 flat angles C4'-P-C4' energy: -135.353 flat angles P-C4'-P energy: -82.217 tors. eta vs tors. theta energy: -82.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1404.225557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.225557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.225557 (E_RNA) where: Base-Base interactions energy: -823.643 where: short stacking energy: -357.227 Base-Backbone interact. energy: 0.315 local terms energy: -580.897601 where: bonds (distance) C4'-P energy: -143.834 bonds (distance) P-C4' energy: -147.032 flat angles C4'-P-C4' energy: -145.595 flat angles P-C4'-P energy: -72.718 tors. eta vs tors. theta energy: -71.719 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: 9 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -887.274928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.274928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.274928 (E_RNA) where: Base-Base interactions energy: -440.450 where: short stacking energy: -260.471 Base-Backbone interact. energy: -2.603 local terms energy: -444.222028 where: bonds (distance) C4'-P energy: -112.915 bonds (distance) P-C4' energy: -142.146 flat angles C4'-P-C4' energy: -133.734 flat angles P-C4'-P energy: -63.159 tors. eta vs tors. theta energy: 7.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -685.594942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.594942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.594942 (E_RNA) where: Base-Base interactions energy: -283.512 where: short stacking energy: -189.886 Base-Backbone interact. energy: -3.398 local terms energy: -398.684707 where: bonds (distance) C4'-P energy: -111.937 bonds (distance) P-C4' energy: -131.653 flat angles C4'-P-C4' energy: -113.228 flat angles P-C4'-P energy: -65.954 tors. eta vs tors. theta energy: 24.088 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: 2 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -2726.705081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.705081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.705081 (E_RNA) where: Base-Base interactions energy: -1851.748 where: short stacking energy: -779.713 Base-Backbone interact. energy: -0.369 local terms energy: -874.587652 where: bonds (distance) C4'-P energy: -155.114 bonds (distance) P-C4' energy: -177.421 flat angles C4'-P-C4' energy: -190.450 flat angles P-C4'-P energy: -122.191 tors. eta vs tors. theta energy: -229.411 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: 1 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2596.000821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.000821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.000821 (E_RNA) where: Base-Base interactions energy: -1763.552 where: short stacking energy: -737.563 Base-Backbone interact. energy: -1.795 local terms energy: -830.654236 where: bonds (distance) C4'-P energy: -165.924 bonds (distance) P-C4' energy: -164.582 flat angles C4'-P-C4' energy: -172.445 flat angles P-C4'-P energy: -126.161 tors. eta vs tors. theta energy: -201.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -2476.186325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.186325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.186325 (E_RNA) where: Base-Base interactions energy: -1702.540 where: short stacking energy: -700.732 Base-Backbone interact. energy: -4.915 local terms energy: -768.731156 where: bonds (distance) C4'-P energy: -135.938 bonds (distance) P-C4' energy: -142.870 flat angles C4'-P-C4' energy: -177.294 flat angles P-C4'-P energy: -108.991 tors. eta vs tors. theta energy: -203.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -2392.497724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.497724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.497724 (E_RNA) where: Base-Base interactions energy: -1597.684 where: short stacking energy: -663.552 Base-Backbone interact. energy: -5.965 local terms energy: -788.848371 where: bonds (distance) C4'-P energy: -165.452 bonds (distance) P-C4' energy: -159.081 flat angles C4'-P-C4' energy: -156.043 flat angles P-C4'-P energy: -126.516 tors. eta vs tors. theta energy: -181.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -2216.451762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.451762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.451762 (E_RNA) where: Base-Base interactions energy: -1481.345 where: short stacking energy: -626.181 Base-Backbone interact. energy: -3.586 local terms energy: -731.520406 where: bonds (distance) C4'-P energy: -141.567 bonds (distance) P-C4' energy: -161.298 flat angles C4'-P-C4' energy: -157.415 flat angles P-C4'-P energy: -88.958 tors. eta vs tors. theta energy: -182.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -1852.044753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.044753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.044753 (E_RNA) where: Base-Base interactions energy: -1193.358 where: short stacking energy: -537.093 Base-Backbone interact. energy: -2.162 local terms energy: -656.525067 where: bonds (distance) C4'-P energy: -127.228 bonds (distance) P-C4' energy: -137.793 flat angles C4'-P-C4' energy: -150.836 flat angles P-C4'-P energy: -111.188 tors. eta vs tors. theta energy: -129.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1576.781595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.781595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.781595 (E_RNA) where: Base-Base interactions energy: -1007.021 where: short stacking energy: -456.478 Base-Backbone interact. energy: -1.859 local terms energy: -567.901681 where: bonds (distance) C4'-P energy: -135.363 bonds (distance) P-C4' energy: -144.069 flat angles C4'-P-C4' energy: -139.941 flat angles P-C4'-P energy: -76.883 tors. eta vs tors. theta energy: -71.645 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: 8, replica: 3 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1402.347456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.347456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.347456 (E_RNA) where: Base-Base interactions energy: -868.856 where: short stacking energy: -389.180 Base-Backbone interact. energy: -2.466 local terms energy: -531.025365 where: bonds (distance) C4'-P energy: -147.868 bonds (distance) P-C4' energy: -126.507 flat angles C4'-P-C4' energy: -132.445 flat angles P-C4'-P energy: -72.249 tors. eta vs tors. theta energy: -51.956 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: 9, replica: 9 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -867.164312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.164312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.164312 (E_RNA) where: Base-Base interactions energy: -424.807 where: short stacking energy: -279.921 Base-Backbone interact. energy: 6.146 local terms energy: -448.503865 where: bonds (distance) C4'-P energy: -133.199 bonds (distance) P-C4' energy: -124.881 flat angles C4'-P-C4' energy: -110.441 flat angles P-C4'-P energy: -60.298 tors. eta vs tors. theta energy: -19.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -620.443479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.443479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.443479 (E_RNA) where: Base-Base interactions energy: -215.239 where: short stacking energy: -175.276 Base-Backbone interact. energy: 1.196 local terms energy: -406.400442 where: bonds (distance) C4'-P energy: -138.503 bonds (distance) P-C4' energy: -141.177 flat angles C4'-P-C4' energy: -94.654 flat angles P-C4'-P energy: -76.477 tors. eta vs tors. theta energy: 44.410 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: 2 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -2746.416722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.416722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.416722 (E_RNA) where: Base-Base interactions energy: -1905.961 where: short stacking energy: -808.343 Base-Backbone interact. energy: -5.362 local terms energy: -835.093346 where: bonds (distance) C4'-P energy: -153.708 bonds (distance) P-C4' energy: -142.933 flat angles C4'-P-C4' energy: -182.718 flat angles P-C4'-P energy: -123.875 tors. eta vs tors. theta energy: -231.858 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: 1 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -2578.476083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.476083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.476083 (E_RNA) where: Base-Base interactions energy: -1759.076 where: short stacking energy: -740.079 Base-Backbone interact. energy: -3.401 local terms energy: -815.998805 where: bonds (distance) C4'-P energy: -152.098 bonds (distance) P-C4' energy: -156.830 flat angles C4'-P-C4' energy: -170.275 flat angles P-C4'-P energy: -118.800 tors. eta vs tors. theta energy: -217.996 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: 3, replica: 8 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -2484.991678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.991678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.991678 (E_RNA) where: Base-Base interactions energy: -1725.500 where: short stacking energy: -698.687 Base-Backbone interact. energy: -3.844 local terms energy: -755.647430 where: bonds (distance) C4'-P energy: -152.432 bonds (distance) P-C4' energy: -137.125 flat angles C4'-P-C4' energy: -172.299 flat angles P-C4'-P energy: -98.916 tors. eta vs tors. theta energy: -194.876 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: 4 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -2413.217608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.217608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.217608 (E_RNA) where: Base-Base interactions energy: -1669.514 where: short stacking energy: -712.005 Base-Backbone interact. energy: -6.703 local terms energy: -737.000839 where: bonds (distance) C4'-P energy: -138.355 bonds (distance) P-C4' energy: -146.342 flat angles C4'-P-C4' energy: -168.543 flat angles P-C4'-P energy: -82.451 tors. eta vs tors. theta energy: -201.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -2240.853360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.853360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.853360 (E_RNA) where: Base-Base interactions energy: -1532.525 where: short stacking energy: -672.581 Base-Backbone interact. energy: -1.380 local terms energy: -706.948541 where: bonds (distance) C4'-P energy: -129.773 bonds (distance) P-C4' energy: -132.096 flat angles C4'-P-C4' energy: -157.627 flat angles P-C4'-P energy: -110.964 tors. eta vs tors. theta energy: -176.487 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: 399 Temperature: 1.150000 Total energy: -1847.196096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.196096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.196096 (E_RNA) where: Base-Base interactions energy: -1220.024 where: short stacking energy: -532.785 Base-Backbone interact. energy: -2.164 local terms energy: -625.007525 where: bonds (distance) C4'-P energy: -120.784 bonds (distance) P-C4' energy: -131.191 flat angles C4'-P-C4' energy: -135.998 flat angles P-C4'-P energy: -107.482 tors. eta vs tors. theta energy: -129.552 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: 7, replica: 10 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -1649.854854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.854854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.854854 (E_RNA) where: Base-Base interactions energy: -1052.919 where: short stacking energy: -497.729 Base-Backbone interact. energy: 1.560 local terms energy: -598.495579 where: bonds (distance) C4'-P energy: -124.553 bonds (distance) P-C4' energy: -131.926 flat angles C4'-P-C4' energy: -137.956 flat angles P-C4'-P energy: -94.997 tors. eta vs tors. theta energy: -109.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -1322.838161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.838161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.838161 (E_RNA) where: Base-Base interactions energy: -791.295 where: short stacking energy: -359.190 Base-Backbone interact. energy: 1.440 local terms energy: -532.983398 where: bonds (distance) C4'-P energy: -138.846 bonds (distance) P-C4' energy: -144.245 flat angles C4'-P-C4' energy: -121.155 flat angles P-C4'-P energy: -89.035 tors. eta vs tors. theta energy: -39.702 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: 9 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -895.551901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.551901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.551901 (E_RNA) where: Base-Base interactions energy: -420.302 where: short stacking energy: -241.182 Base-Backbone interact. energy: 0.307 local terms energy: -475.557408 where: bonds (distance) C4'-P energy: -137.456 bonds (distance) P-C4' energy: -151.242 flat angles C4'-P-C4' energy: -103.428 flat angles P-C4'-P energy: -81.420 tors. eta vs tors. theta energy: -2.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -615.640864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.640864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.640864 (E_RNA) where: Base-Base interactions energy: -220.143 where: short stacking energy: -167.387 Base-Backbone interact. energy: -3.912 local terms energy: -391.585964 where: bonds (distance) C4'-P energy: -111.339 bonds (distance) P-C4' energy: -148.007 flat angles C4'-P-C4' energy: -115.909 flat angles P-C4'-P energy: -38.463 tors. eta vs tors. theta energy: 22.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -2735.998261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.998261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.998261 (E_RNA) where: Base-Base interactions energy: -1857.225 where: short stacking energy: -766.549 Base-Backbone interact. energy: -2.267 local terms energy: -876.505837 where: bonds (distance) C4'-P energy: -168.756 bonds (distance) P-C4' energy: -156.661 flat angles C4'-P-C4' energy: -185.266 flat angles P-C4'-P energy: -126.673 tors. eta vs tors. theta energy: -239.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -2533.416256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.416256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.416256 (E_RNA) where: Base-Base interactions energy: -1745.216 where: short stacking energy: -735.495 Base-Backbone interact. energy: -4.442 local terms energy: -783.757530 where: bonds (distance) C4'-P energy: -154.660 bonds (distance) P-C4' energy: -144.895 flat angles C4'-P-C4' energy: -172.319 flat angles P-C4'-P energy: -103.885 tors. eta vs tors. theta energy: -207.999 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: 8 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -2497.517170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.517170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.517170 (E_RNA) where: Base-Base interactions energy: -1695.626 where: short stacking energy: -700.392 Base-Backbone interact. energy: -2.302 local terms energy: -799.589610 where: bonds (distance) C4'-P energy: -140.542 bonds (distance) P-C4' energy: -153.944 flat angles C4'-P-C4' energy: -182.592 flat angles P-C4'-P energy: -110.379 tors. eta vs tors. theta energy: -212.133 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: 4 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -2421.508015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.508015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.508015 (E_RNA) where: Base-Base interactions energy: -1678.180 where: short stacking energy: -703.963 Base-Backbone interact. energy: 4.641 local terms energy: -747.968773 where: bonds (distance) C4'-P energy: -142.519 bonds (distance) P-C4' energy: -155.266 flat angles C4'-P-C4' energy: -174.206 flat angles P-C4'-P energy: -94.100 tors. eta vs tors. theta energy: -181.878 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: 5, replica: 6 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -2211.200797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.200797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.200797 (E_RNA) where: Base-Base interactions energy: -1486.721 where: short stacking energy: -623.506 Base-Backbone interact. energy: 0.093 local terms energy: -724.573116 where: bonds (distance) C4'-P energy: -148.353 bonds (distance) P-C4' energy: -136.133 flat angles C4'-P-C4' energy: -162.845 flat angles P-C4'-P energy: -107.839 tors. eta vs tors. theta energy: -169.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -1835.624593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.624593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.624593 (E_RNA) where: Base-Base interactions energy: -1163.564 where: short stacking energy: -544.690 Base-Backbone interact. energy: -2.236 local terms energy: -669.825042 where: bonds (distance) C4'-P energy: -129.820 bonds (distance) P-C4' energy: -144.802 flat angles C4'-P-C4' energy: -166.495 flat angles P-C4'-P energy: -98.657 tors. eta vs tors. theta energy: -130.050 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: 10 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1552.496594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.496594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.496594 (E_RNA) where: Base-Base interactions energy: -972.398 where: short stacking energy: -450.407 Base-Backbone interact. energy: 1.366 local terms energy: -581.464271 where: bonds (distance) C4'-P energy: -126.336 bonds (distance) P-C4' energy: -148.604 flat angles C4'-P-C4' energy: -120.864 flat angles P-C4'-P energy: -105.775 tors. eta vs tors. theta energy: -79.885 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: 3 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1341.357419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.357419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.357419 (E_RNA) where: Base-Base interactions energy: -786.739 where: short stacking energy: -366.909 Base-Backbone interact. energy: -0.188 local terms energy: -554.429934 where: bonds (distance) C4'-P energy: -129.909 bonds (distance) P-C4' energy: -145.510 flat angles C4'-P-C4' energy: -139.804 flat angles P-C4'-P energy: -81.867 tors. eta vs tors. theta energy: -57.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -924.771812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.771812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.771812 (E_RNA) where: Base-Base interactions energy: -491.768 where: short stacking energy: -265.744 Base-Backbone interact. energy: 3.074 local terms energy: -436.077995 where: bonds (distance) C4'-P energy: -117.302 bonds (distance) P-C4' energy: -136.006 flat angles C4'-P-C4' energy: -110.362 flat angles P-C4'-P energy: -68.842 tors. eta vs tors. theta energy: -3.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -623.745009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.745009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.745009 (E_RNA) where: Base-Base interactions energy: -204.325 where: short stacking energy: -147.852 Base-Backbone interact. energy: -1.481 local terms energy: -417.938910 where: bonds (distance) C4'-P energy: -136.986 bonds (distance) P-C4' energy: -126.567 flat angles C4'-P-C4' energy: -96.736 flat angles P-C4'-P energy: -92.319 tors. eta vs tors. theta energy: 34.669 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: 2 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -2765.019674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.019674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.019674 (E_RNA) where: Base-Base interactions energy: -1882.121 where: short stacking energy: -785.925 Base-Backbone interact. energy: -3.377 local terms energy: -879.522268 where: bonds (distance) C4'-P energy: -171.053 bonds (distance) P-C4' energy: -165.047 flat angles C4'-P-C4' energy: -180.185 flat angles P-C4'-P energy: -138.427 tors. eta vs tors. theta energy: -224.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -2522.723357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.723357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.723357 (E_RNA) where: Base-Base interactions energy: -1697.907 where: short stacking energy: -695.528 Base-Backbone interact. energy: -4.839 local terms energy: -819.977936 where: bonds (distance) C4'-P energy: -164.506 bonds (distance) P-C4' energy: -163.910 flat angles C4'-P-C4' energy: -172.455 flat angles P-C4'-P energy: -110.156 tors. eta vs tors. theta energy: -208.951 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: 8 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -2494.251854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.251854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.251854 (E_RNA) where: Base-Base interactions energy: -1707.259 where: short stacking energy: -712.367 Base-Backbone interact. energy: -0.685 local terms energy: -786.308780 where: bonds (distance) C4'-P energy: -129.632 bonds (distance) P-C4' energy: -149.603 flat angles C4'-P-C4' energy: -182.111 flat angles P-C4'-P energy: -112.141 tors. eta vs tors. theta energy: -212.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -2395.343589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.343589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.343589 (E_RNA) where: Base-Base interactions energy: -1602.129 where: short stacking energy: -691.797 Base-Backbone interact. energy: -4.781 local terms energy: -788.433073 where: bonds (distance) C4'-P energy: -155.002 bonds (distance) P-C4' energy: -161.583 flat angles C4'-P-C4' energy: -168.859 flat angles P-C4'-P energy: -113.776 tors. eta vs tors. theta energy: -189.214 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: 5, replica: 6 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -2207.544862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.544862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.544862 (E_RNA) where: Base-Base interactions energy: -1498.349 where: short stacking energy: -634.005 Base-Backbone interact. energy: 1.183 local terms energy: -710.378454 where: bonds (distance) C4'-P energy: -118.664 bonds (distance) P-C4' energy: -144.503 flat angles C4'-P-C4' energy: -163.162 flat angles P-C4'-P energy: -107.273 tors. eta vs tors. theta energy: -176.776 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: 5 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -1858.366602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.366602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.366602 (E_RNA) where: Base-Base interactions energy: -1228.130 where: short stacking energy: -558.778 Base-Backbone interact. energy: 0.101 local terms energy: -630.337342 where: bonds (distance) C4'-P energy: -136.562 bonds (distance) P-C4' energy: -124.011 flat angles C4'-P-C4' energy: -142.824 flat angles P-C4'-P energy: -83.795 tors. eta vs tors. theta energy: -143.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1578.967128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.967128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.967128 (E_RNA) where: Base-Base interactions energy: -981.698 where: short stacking energy: -473.882 Base-Backbone interact. energy: 0.424 local terms energy: -597.692538 where: bonds (distance) C4'-P energy: -120.969 bonds (distance) P-C4' energy: -143.960 flat angles C4'-P-C4' energy: -146.014 flat angles P-C4'-P energy: -84.987 tors. eta vs tors. theta energy: -101.762 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: 8, replica: 3 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1360.730173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.730173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.730173 (E_RNA) where: Base-Base interactions energy: -827.088 where: short stacking energy: -401.836 Base-Backbone interact. energy: -6.141 local terms energy: -527.501430 where: bonds (distance) C4'-P energy: -118.915 bonds (distance) P-C4' energy: -133.260 flat angles C4'-P-C4' energy: -122.372 flat angles P-C4'-P energy: -96.089 tors. eta vs tors. theta energy: -56.864 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: 9 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -868.468924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.468924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.468924 (E_RNA) where: Base-Base interactions energy: -412.416 where: short stacking energy: -239.763 Base-Backbone interact. energy: -1.123 local terms energy: -454.929942 where: bonds (distance) C4'-P energy: -127.550 bonds (distance) P-C4' energy: -127.210 flat angles C4'-P-C4' energy: -126.571 flat angles P-C4'-P energy: -68.717 tors. eta vs tors. theta energy: -4.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -601.399955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.399955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.399955 (E_RNA) where: Base-Base interactions energy: -245.191 where: short stacking energy: -189.661 Base-Backbone interact. energy: 5.966 local terms energy: -362.174141 where: bonds (distance) C4'-P energy: -111.478 bonds (distance) P-C4' energy: -136.041 flat angles C4'-P-C4' energy: -98.085 flat angles P-C4'-P energy: -62.390 tors. eta vs tors. theta energy: 45.820 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: 1, replica: 2 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -2770.497491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.497491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.497491 (E_RNA) where: Base-Base interactions energy: -1906.226 where: short stacking energy: -771.122 Base-Backbone interact. energy: -6.815 local terms energy: -857.455951 where: bonds (distance) C4'-P energy: -156.914 bonds (distance) P-C4' energy: -161.357 flat angles C4'-P-C4' energy: -195.757 flat angles P-C4'-P energy: -107.774 tors. eta vs tors. theta energy: -235.654 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: 1 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -2592.048554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.048554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.048554 (E_RNA) where: Base-Base interactions energy: -1771.426 where: short stacking energy: -743.666 Base-Backbone interact. energy: -3.217 local terms energy: -817.406083 where: bonds (distance) C4'-P energy: -153.322 bonds (distance) P-C4' energy: -167.987 flat angles C4'-P-C4' energy: -176.048 flat angles P-C4'-P energy: -108.587 tors. eta vs tors. theta energy: -211.462 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: 3, replica: 8 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -2454.436711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.436711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.436711 (E_RNA) where: Base-Base interactions energy: -1677.014 where: short stacking energy: -685.201 Base-Backbone interact. energy: -3.586 local terms energy: -773.836514 where: bonds (distance) C4'-P energy: -147.025 bonds (distance) P-C4' energy: -145.061 flat angles C4'-P-C4' energy: -164.407 flat angles P-C4'-P energy: -114.619 tors. eta vs tors. theta energy: -202.724 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: 402 Temperature: 1.050000 Total energy: -2399.558384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.558384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.558384 (E_RNA) where: Base-Base interactions energy: -1624.831 where: short stacking energy: -684.532 Base-Backbone interact. energy: -3.516 local terms energy: -771.210967 where: bonds (distance) C4'-P energy: -145.916 bonds (distance) P-C4' energy: -137.747 flat angles C4'-P-C4' energy: -190.511 flat angles P-C4'-P energy: -105.761 tors. eta vs tors. theta energy: -191.275 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: 6 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -2248.965673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.965673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.965673 (E_RNA) where: Base-Base interactions energy: -1521.458 where: short stacking energy: -651.345 Base-Backbone interact. energy: -2.482 local terms energy: -725.025824 where: bonds (distance) C4'-P energy: -152.696 bonds (distance) P-C4' energy: -141.333 flat angles C4'-P-C4' energy: -152.050 flat angles P-C4'-P energy: -98.064 tors. eta vs tors. theta energy: -180.882 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: 402 Temperature: 1.150000 Total energy: -1870.667436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.667436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.667436 (E_RNA) where: Base-Base interactions energy: -1200.995 where: short stacking energy: -537.306 Base-Backbone interact. energy: -0.156 local terms energy: -669.516794 where: bonds (distance) C4'-P energy: -146.431 bonds (distance) P-C4' energy: -152.201 flat angles C4'-P-C4' energy: -151.660 flat angles P-C4'-P energy: -98.244 tors. eta vs tors. theta energy: -120.980 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: 10 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1600.837180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.837180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.837180 (E_RNA) where: Base-Base interactions energy: -1005.652 where: short stacking energy: -476.327 Base-Backbone interact. energy: -1.692 local terms energy: -593.493134 where: bonds (distance) C4'-P energy: -131.904 bonds (distance) P-C4' energy: -145.522 flat angles C4'-P-C4' energy: -124.875 flat angles P-C4'-P energy: -87.707 tors. eta vs tors. theta energy: -103.485 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: 8, replica: 3 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1326.767620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.767620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.767620 (E_RNA) where: Base-Base interactions energy: -796.253 where: short stacking energy: -389.534 Base-Backbone interact. energy: -2.947 local terms energy: -527.567228 where: bonds (distance) C4'-P energy: -109.726 bonds (distance) P-C4' energy: -146.348 flat angles C4'-P-C4' energy: -142.499 flat angles P-C4'-P energy: -75.186 tors. eta vs tors. theta energy: -53.809 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: 9, replica: 9 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -811.426336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.426336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.426336 (E_RNA) where: Base-Base interactions energy: -348.478 where: short stacking energy: -197.595 Base-Backbone interact. energy: -1.467 local terms energy: -461.481026 where: bonds (distance) C4'-P energy: -136.832 bonds (distance) P-C4' energy: -115.339 flat angles C4'-P-C4' energy: -142.615 flat angles P-C4'-P energy: -75.039 tors. eta vs tors. theta energy: 8.345 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: 7 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -627.549112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.549112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.549112 (E_RNA) where: Base-Base interactions energy: -233.804 where: short stacking energy: -171.227 Base-Backbone interact. energy: 1.171 local terms energy: -394.916318 where: bonds (distance) C4'-P energy: -136.101 bonds (distance) P-C4' energy: -149.178 flat angles C4'-P-C4' energy: -97.291 flat angles P-C4'-P energy: -50.669 tors. eta vs tors. theta energy: 38.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -2739.741513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.741513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.741513 (E_RNA) where: Base-Base interactions energy: -1918.231 where: short stacking energy: -784.481 Base-Backbone interact. energy: -2.816 local terms energy: -818.695126 where: bonds (distance) C4'-P energy: -160.073 bonds (distance) P-C4' energy: -146.614 flat angles C4'-P-C4' energy: -178.472 flat angles P-C4'-P energy: -96.969 tors. eta vs tors. theta energy: -236.566 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: 2, replica: 1 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -2541.651102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.651102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.651102 (E_RNA) where: Base-Base interactions energy: -1742.713 where: short stacking energy: -731.757 Base-Backbone interact. energy: -2.064 local terms energy: -796.873626 where: bonds (distance) C4'-P energy: -165.393 bonds (distance) P-C4' energy: -155.403 flat angles C4'-P-C4' energy: -163.180 flat angles P-C4'-P energy: -109.727 tors. eta vs tors. theta energy: -203.171 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: 8 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -2444.291056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.291056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.291056 (E_RNA) where: Base-Base interactions energy: -1631.522 where: short stacking energy: -684.738 Base-Backbone interact. energy: -5.385 local terms energy: -807.384265 where: bonds (distance) C4'-P energy: -152.484 bonds (distance) P-C4' energy: -155.424 flat angles C4'-P-C4' energy: -193.315 flat angles P-C4'-P energy: -114.733 tors. eta vs tors. theta energy: -191.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -2373.851759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.851759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.851759 (E_RNA) where: Base-Base interactions energy: -1620.621 where: short stacking energy: -692.498 Base-Backbone interact. energy: -3.125 local terms energy: -750.105529 where: bonds (distance) C4'-P energy: -143.344 bonds (distance) P-C4' energy: -164.713 flat angles C4'-P-C4' energy: -149.840 flat angles P-C4'-P energy: -111.298 tors. eta vs tors. theta energy: -180.911 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: 5, replica: 6 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -2211.457735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.457735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.457735 (E_RNA) where: Base-Base interactions energy: -1493.831 where: short stacking energy: -650.901 Base-Backbone interact. energy: 1.487 local terms energy: -719.113343 where: bonds (distance) C4'-P energy: -137.626 bonds (distance) P-C4' energy: -133.242 flat angles C4'-P-C4' energy: -162.329 flat angles P-C4'-P energy: -103.091 tors. eta vs tors. theta energy: -182.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1849.878679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.878679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.878679 (E_RNA) where: Base-Base interactions energy: -1218.551 where: short stacking energy: -557.331 Base-Backbone interact. energy: 0.839 local terms energy: -632.166705 where: bonds (distance) C4'-P energy: -121.577 bonds (distance) P-C4' energy: -145.875 flat angles C4'-P-C4' energy: -149.936 flat angles P-C4'-P energy: -92.670 tors. eta vs tors. theta energy: -122.108 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: 7, replica: 10 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1675.720396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.720396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.720396 (E_RNA) where: Base-Base interactions energy: -1065.638 where: short stacking energy: -506.205 Base-Backbone interact. energy: -0.665 local terms energy: -609.417373 where: bonds (distance) C4'-P energy: -134.973 bonds (distance) P-C4' energy: -158.066 flat angles C4'-P-C4' energy: -140.172 flat angles P-C4'-P energy: -59.722 tors. eta vs tors. theta energy: -116.483 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: 403 Temperature: 1.250000 Total energy: -1370.444774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.444774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.444774 (E_RNA) where: Base-Base interactions energy: -825.177 where: short stacking energy: -404.935 Base-Backbone interact. energy: -2.013 local terms energy: -543.254460 where: bonds (distance) C4'-P energy: -135.250 bonds (distance) P-C4' energy: -122.215 flat angles C4'-P-C4' energy: -137.867 flat angles P-C4'-P energy: -85.644 tors. eta vs tors. theta energy: -62.278 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: 9, replica: 9 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -782.431718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.431718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.431718 (E_RNA) where: Base-Base interactions energy: -368.541 where: short stacking energy: -221.537 Base-Backbone interact. energy: 9.594 local terms energy: -423.484477 where: bonds (distance) C4'-P energy: -119.513 bonds (distance) P-C4' energy: -132.017 flat angles C4'-P-C4' energy: -102.722 flat angles P-C4'-P energy: -87.566 tors. eta vs tors. theta energy: 18.333 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: 7 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -608.389127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.389127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.389127 (E_RNA) where: Base-Base interactions energy: -231.083 where: short stacking energy: -183.383 Base-Backbone interact. energy: -3.517 local terms energy: -373.789388 where: bonds (distance) C4'-P energy: -118.043 bonds (distance) P-C4' energy: -123.432 flat angles C4'-P-C4' energy: -94.564 flat angles P-C4'-P energy: -56.832 tors. eta vs tors. theta energy: 19.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -2721.855811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.855811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.855811 (E_RNA) where: Base-Base interactions energy: -1869.016 where: short stacking energy: -778.410 Base-Backbone interact. energy: -2.477 local terms energy: -850.361982 where: bonds (distance) C4'-P energy: -151.986 bonds (distance) P-C4' energy: -168.374 flat angles C4'-P-C4' energy: -188.709 flat angles P-C4'-P energy: -116.638 tors. eta vs tors. theta energy: -224.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -2548.871811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.871811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.871811 (E_RNA) where: Base-Base interactions energy: -1738.344 where: short stacking energy: -731.522 Base-Backbone interact. energy: -5.051 local terms energy: -805.477220 where: bonds (distance) C4'-P energy: -165.445 bonds (distance) P-C4' energy: -156.677 flat angles C4'-P-C4' energy: -177.005 flat angles P-C4'-P energy: -104.336 tors. eta vs tors. theta energy: -202.014 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: 4 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -2507.015466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.015466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.015466 (E_RNA) where: Base-Base interactions energy: -1720.820 where: short stacking energy: -765.028 Base-Backbone interact. energy: -1.524 local terms energy: -784.671208 where: bonds (distance) C4'-P energy: -141.528 bonds (distance) P-C4' energy: -142.555 flat angles C4'-P-C4' energy: -174.914 flat angles P-C4'-P energy: -119.801 tors. eta vs tors. theta energy: -205.873 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: 4, replica: 8 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -2446.536070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.536070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.536070 (E_RNA) where: Base-Base interactions energy: -1671.824 where: short stacking energy: -683.729 Base-Backbone interact. energy: -2.943 local terms energy: -771.769221 where: bonds (distance) C4'-P energy: -125.398 bonds (distance) P-C4' energy: -141.922 flat angles C4'-P-C4' energy: -182.661 flat angles P-C4'-P energy: -119.447 tors. eta vs tors. theta energy: -202.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -2231.943094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.943094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.943094 (E_RNA) where: Base-Base interactions energy: -1480.866 where: short stacking energy: -633.796 Base-Backbone interact. energy: 0.812 local terms energy: -751.889677 where: bonds (distance) C4'-P energy: -131.231 bonds (distance) P-C4' energy: -150.120 flat angles C4'-P-C4' energy: -168.758 flat angles P-C4'-P energy: -120.421 tors. eta vs tors. theta energy: -181.360 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: 6, replica: 5 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -1935.754869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.754869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.754869 (E_RNA) where: Base-Base interactions energy: -1275.549 where: short stacking energy: -599.130 Base-Backbone interact. energy: 1.986 local terms energy: -662.191996 where: bonds (distance) C4'-P energy: -109.365 bonds (distance) P-C4' energy: -135.791 flat angles C4'-P-C4' energy: -154.675 flat angles P-C4'-P energy: -108.451 tors. eta vs tors. theta energy: -153.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1690.908724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.908724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.908724 (E_RNA) where: Base-Base interactions energy: -1113.072 where: short stacking energy: -536.739 Base-Backbone interact. energy: 1.297 local terms energy: -579.133826 where: bonds (distance) C4'-P energy: -130.094 bonds (distance) P-C4' energy: -109.710 flat angles C4'-P-C4' energy: -140.556 flat angles P-C4'-P energy: -67.486 tors. eta vs tors. theta energy: -131.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -1377.861525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.861525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.861525 (E_RNA) where: Base-Base interactions energy: -844.780 where: short stacking energy: -395.194 Base-Backbone interact. energy: 0.040 local terms energy: -533.121755 where: bonds (distance) C4'-P energy: -138.583 bonds (distance) P-C4' energy: -120.908 flat angles C4'-P-C4' energy: -122.302 flat angles P-C4'-P energy: -86.375 tors. eta vs tors. theta energy: -64.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -781.496531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.496531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.496531 (E_RNA) where: Base-Base interactions energy: -366.391 where: short stacking energy: -212.862 Base-Backbone interact. energy: 0.778 local terms energy: -415.883153 where: bonds (distance) C4'-P energy: -127.461 bonds (distance) P-C4' energy: -135.813 flat angles C4'-P-C4' energy: -117.023 flat angles P-C4'-P energy: -51.727 tors. eta vs tors. theta energy: 16.141 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: 7 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -626.382023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.382023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.382023 (E_RNA) where: Base-Base interactions energy: -197.062 where: short stacking energy: -175.840 Base-Backbone interact. energy: -0.875 local terms energy: -428.445657 where: bonds (distance) C4'-P energy: -110.271 bonds (distance) P-C4' energy: -129.964 flat angles C4'-P-C4' energy: -139.538 flat angles P-C4'-P energy: -71.854 tors. eta vs tors. theta energy: 23.182 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: 1, replica: 2 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -2803.357289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.357289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.357289 (E_RNA) where: Base-Base interactions energy: -1940.319 where: short stacking energy: -805.907 Base-Backbone interact. energy: -4.233 local terms energy: -858.805053 where: bonds (distance) C4'-P energy: -169.485 bonds (distance) P-C4' energy: -161.684 flat angles C4'-P-C4' energy: -170.465 flat angles P-C4'-P energy: -127.437 tors. eta vs tors. theta energy: -229.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -2606.383435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.383435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.383435 (E_RNA) where: Base-Base interactions energy: -1785.912 where: short stacking energy: -760.672 Base-Backbone interact. energy: -0.266 local terms energy: -820.205213 where: bonds (distance) C4'-P energy: -158.738 bonds (distance) P-C4' energy: -155.745 flat angles C4'-P-C4' energy: -179.806 flat angles P-C4'-P energy: -115.404 tors. eta vs tors. theta energy: -210.511 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: 405 Temperature: 1.000000 Total energy: -2468.988501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.988501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.988501 (E_RNA) where: Base-Base interactions energy: -1663.584 where: short stacking energy: -714.656 Base-Backbone interact. energy: -4.297 local terms energy: -801.107966 where: bonds (distance) C4'-P energy: -171.264 bonds (distance) P-C4' energy: -164.982 flat angles C4'-P-C4' energy: -152.312 flat angles P-C4'-P energy: -114.111 tors. eta vs tors. theta energy: -198.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -2421.999202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.999202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.999202 (E_RNA) where: Base-Base interactions energy: -1656.118 where: short stacking energy: -693.603 Base-Backbone interact. energy: 5.803 local terms energy: -771.684432 where: bonds (distance) C4'-P energy: -151.779 bonds (distance) P-C4' energy: -140.780 flat angles C4'-P-C4' energy: -169.021 flat angles P-C4'-P energy: -113.483 tors. eta vs tors. theta energy: -196.620 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: 6 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -2207.464350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.464350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.464350 (E_RNA) where: Base-Base interactions energy: -1478.795 where: short stacking energy: -674.033 Base-Backbone interact. energy: -0.842 local terms energy: -727.826658 where: bonds (distance) C4'-P energy: -139.849 bonds (distance) P-C4' energy: -141.513 flat angles C4'-P-C4' energy: -161.514 flat angles P-C4'-P energy: -102.861 tors. eta vs tors. theta energy: -182.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -1895.768030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.768030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.768030 (E_RNA) where: Base-Base interactions energy: -1228.942 where: short stacking energy: -551.918 Base-Backbone interact. energy: 0.644 local terms energy: -667.470440 where: bonds (distance) C4'-P energy: -126.017 bonds (distance) P-C4' energy: -131.763 flat angles C4'-P-C4' energy: -160.584 flat angles P-C4'-P energy: -100.836 tors. eta vs tors. theta energy: -148.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1707.453414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.453414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.453414 (E_RNA) where: Base-Base interactions energy: -1069.737 where: short stacking energy: -488.749 Base-Backbone interact. energy: -2.654 local terms energy: -635.062472 where: bonds (distance) C4'-P energy: -132.927 bonds (distance) P-C4' energy: -152.347 flat angles C4'-P-C4' energy: -156.965 flat angles P-C4'-P energy: -82.250 tors. eta vs tors. theta energy: -110.572 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: 3 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1424.926791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.926791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.926791 (E_RNA) where: Base-Base interactions energy: -890.728 where: short stacking energy: -438.106 Base-Backbone interact. energy: 10.974 local terms energy: -545.172429 where: bonds (distance) C4'-P energy: -137.607 bonds (distance) P-C4' energy: -121.302 flat angles C4'-P-C4' energy: -120.819 flat angles P-C4'-P energy: -81.669 tors. eta vs tors. theta energy: -83.775 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: 9, replica: 9 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -840.878895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.878895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.878895 (E_RNA) where: Base-Base interactions energy: -358.398 where: short stacking energy: -219.373 Base-Backbone interact. energy: -0.713 local terms energy: -481.767631 where: bonds (distance) C4'-P energy: -129.835 bonds (distance) P-C4' energy: -155.100 flat angles C4'-P-C4' energy: -126.382 flat angles P-C4'-P energy: -63.061 tors. eta vs tors. theta energy: -7.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -626.760425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.760425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.760425 (E_RNA) where: Base-Base interactions energy: -215.835 where: short stacking energy: -185.392 Base-Backbone interact. energy: 5.602 local terms energy: -416.527416 where: bonds (distance) C4'-P energy: -116.366 bonds (distance) P-C4' energy: -134.676 flat angles C4'-P-C4' energy: -107.693 flat angles P-C4'-P energy: -72.739 tors. eta vs tors. theta energy: 14.947 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: 2 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -2770.188071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.188071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.188071 (E_RNA) where: Base-Base interactions energy: -1912.707 where: short stacking energy: -775.148 Base-Backbone interact. energy: -3.394 local terms energy: -854.087180 where: bonds (distance) C4'-P energy: -155.610 bonds (distance) P-C4' energy: -162.331 flat angles C4'-P-C4' energy: -182.313 flat angles P-C4'-P energy: -116.253 tors. eta vs tors. theta energy: -237.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -2584.828349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.828349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.828349 (E_RNA) where: Base-Base interactions energy: -1776.935 where: short stacking energy: -743.995 Base-Backbone interact. energy: -1.425 local terms energy: -806.468393 where: bonds (distance) C4'-P energy: -141.514 bonds (distance) P-C4' energy: -161.884 flat angles C4'-P-C4' energy: -165.158 flat angles P-C4'-P energy: -128.997 tors. eta vs tors. theta energy: -208.915 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: 3, replica: 8 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -2520.650466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.650466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.650466 (E_RNA) where: Base-Base interactions energy: -1704.303 where: short stacking energy: -729.762 Base-Backbone interact. energy: -6.556 local terms energy: -809.790690 where: bonds (distance) C4'-P energy: -146.311 bonds (distance) P-C4' energy: -169.548 flat angles C4'-P-C4' energy: -174.288 flat angles P-C4'-P energy: -104.716 tors. eta vs tors. theta energy: -214.928 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: 4, replica: 4 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -2387.994441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.994441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.994441 (E_RNA) where: Base-Base interactions energy: -1639.340 where: short stacking energy: -674.543 Base-Backbone interact. energy: 2.430 local terms energy: -751.083907 where: bonds (distance) C4'-P energy: -155.921 bonds (distance) P-C4' energy: -138.838 flat angles C4'-P-C4' energy: -175.756 flat angles P-C4'-P energy: -96.347 tors. eta vs tors. theta energy: -184.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -2216.274695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.274695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.274695 (E_RNA) where: Base-Base interactions energy: -1513.671 where: short stacking energy: -671.049 Base-Backbone interact. energy: -1.267 local terms energy: -701.337542 where: bonds (distance) C4'-P energy: -127.417 bonds (distance) P-C4' energy: -135.004 flat angles C4'-P-C4' energy: -154.521 flat angles P-C4'-P energy: -90.039 tors. eta vs tors. theta energy: -194.357 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: 5 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -1897.114627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.114627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.114627 (E_RNA) where: Base-Base interactions energy: -1216.865 where: short stacking energy: -539.164 Base-Backbone interact. energy: -2.563 local terms energy: -677.686863 where: bonds (distance) C4'-P energy: -143.919 bonds (distance) P-C4' energy: -144.450 flat angles C4'-P-C4' energy: -157.740 flat angles P-C4'-P energy: -91.667 tors. eta vs tors. theta energy: -139.911 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: 7, replica: 10 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1723.842006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.842006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.842006 (E_RNA) where: Base-Base interactions energy: -1088.952 where: short stacking energy: -515.868 Base-Backbone interact. energy: -4.643 local terms energy: -630.246911 where: bonds (distance) C4'-P energy: -125.479 bonds (distance) P-C4' energy: -134.084 flat angles C4'-P-C4' energy: -164.801 flat angles P-C4'-P energy: -77.682 tors. eta vs tors. theta energy: -128.201 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: 8, replica: 3 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -1431.089238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.089238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.089238 (E_RNA) where: Base-Base interactions energy: -879.845 where: short stacking energy: -416.320 Base-Backbone interact. energy: 1.685 local terms energy: -552.928856 where: bonds (distance) C4'-P energy: -139.714 bonds (distance) P-C4' energy: -139.658 flat angles C4'-P-C4' energy: -140.240 flat angles P-C4'-P energy: -63.724 tors. eta vs tors. theta energy: -69.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -789.253013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.253013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.253013 (E_RNA) where: Base-Base interactions energy: -353.276 where: short stacking energy: -209.226 Base-Backbone interact. energy: -0.154 local terms energy: -435.822823 where: bonds (distance) C4'-P energy: -139.826 bonds (distance) P-C4' energy: -133.493 flat angles C4'-P-C4' energy: -119.837 flat angles P-C4'-P energy: -55.079 tors. eta vs tors. theta energy: 12.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -619.005858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.005858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.005858 (E_RNA) where: Base-Base interactions energy: -218.980 where: short stacking energy: -158.488 Base-Backbone interact. energy: 4.997 local terms energy: -405.022935 where: bonds (distance) C4'-P energy: -122.771 bonds (distance) P-C4' energy: -149.657 flat angles C4'-P-C4' energy: -115.638 flat angles P-C4'-P energy: -55.452 tors. eta vs tors. theta energy: 38.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -2761.885098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.885098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.885098 (E_RNA) where: Base-Base interactions energy: -1907.884 where: short stacking energy: -783.959 Base-Backbone interact. energy: -0.483 local terms energy: -853.517990 where: bonds (distance) C4'-P energy: -160.263 bonds (distance) P-C4' energy: -158.422 flat angles C4'-P-C4' energy: -176.332 flat angles P-C4'-P energy: -130.194 tors. eta vs tors. theta energy: -228.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -2577.157622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.157622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.157622 (E_RNA) where: Base-Base interactions energy: -1744.792 where: short stacking energy: -721.072 Base-Backbone interact. energy: -3.098 local terms energy: -829.267275 where: bonds (distance) C4'-P energy: -146.103 bonds (distance) P-C4' energy: -172.299 flat angles C4'-P-C4' energy: -171.054 flat angles P-C4'-P energy: -123.770 tors. eta vs tors. theta energy: -216.041 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: 8 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -2504.862525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.862525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.862525 (E_RNA) where: Base-Base interactions energy: -1684.898 where: short stacking energy: -704.935 Base-Backbone interact. energy: -3.677 local terms energy: -816.288138 where: bonds (distance) C4'-P energy: -164.515 bonds (distance) P-C4' energy: -159.423 flat angles C4'-P-C4' energy: -165.777 flat angles P-C4'-P energy: -124.713 tors. eta vs tors. theta energy: -201.860 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: 4 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -2362.353104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.353104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.353104 (E_RNA) where: Base-Base interactions energy: -1612.056 where: short stacking energy: -704.008 Base-Backbone interact. energy: -8.288 local terms energy: -742.009910 where: bonds (distance) C4'-P energy: -137.839 bonds (distance) P-C4' energy: -158.238 flat angles C4'-P-C4' energy: -154.224 flat angles P-C4'-P energy: -107.043 tors. eta vs tors. theta energy: -184.666 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: 6 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -2168.314965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.314965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.314965 (E_RNA) where: Base-Base interactions energy: -1440.638 where: short stacking energy: -658.799 Base-Backbone interact. energy: -0.208 local terms energy: -727.468916 where: bonds (distance) C4'-P energy: -150.304 bonds (distance) P-C4' energy: -139.082 flat angles C4'-P-C4' energy: -156.300 flat angles P-C4'-P energy: -104.047 tors. eta vs tors. theta energy: -177.735 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: 6, replica: 5 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1925.142598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.142598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.142598 (E_RNA) where: Base-Base interactions energy: -1223.779 where: short stacking energy: -573.407 Base-Backbone interact. energy: 0.496 local terms energy: -701.859966 where: bonds (distance) C4'-P energy: -123.196 bonds (distance) P-C4' energy: -151.518 flat angles C4'-P-C4' energy: -175.720 flat angles P-C4'-P energy: -100.244 tors. eta vs tors. theta energy: -151.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1700.965305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.965305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.965305 (E_RNA) where: Base-Base interactions energy: -1110.727 where: short stacking energy: -504.716 Base-Backbone interact. energy: 1.236 local terms energy: -591.474283 where: bonds (distance) C4'-P energy: -126.163 bonds (distance) P-C4' energy: -137.603 flat angles C4'-P-C4' energy: -131.117 flat angles P-C4'-P energy: -99.014 tors. eta vs tors. theta energy: -97.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -1335.520805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.520805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.520805 (E_RNA) where: Base-Base interactions energy: -787.495 where: short stacking energy: -347.599 Base-Backbone interact. energy: -2.736 local terms energy: -545.289106 where: bonds (distance) C4'-P energy: -149.257 bonds (distance) P-C4' energy: -130.996 flat angles C4'-P-C4' energy: -139.446 flat angles P-C4'-P energy: -71.436 tors. eta vs tors. theta energy: -54.154 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: 9 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -745.086428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.086428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.086428 (E_RNA) where: Base-Base interactions energy: -281.650 where: short stacking energy: -190.907 Base-Backbone interact. energy: -1.017 local terms energy: -462.418474 where: bonds (distance) C4'-P energy: -139.161 bonds (distance) P-C4' energy: -139.165 flat angles C4'-P-C4' energy: -129.956 flat angles P-C4'-P energy: -74.481 tors. eta vs tors. theta energy: 20.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -698.578126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.578126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.578126 (E_RNA) where: Base-Base interactions energy: -298.115 where: short stacking energy: -188.767 Base-Backbone interact. energy: -2.908 local terms energy: -397.554796 where: bonds (distance) C4'-P energy: -123.570 bonds (distance) P-C4' energy: -138.751 flat angles C4'-P-C4' energy: -93.542 flat angles P-C4'-P energy: -52.990 tors. eta vs tors. theta energy: 11.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -2752.073152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.073152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.073152 (E_RNA) where: Base-Base interactions energy: -1908.290 where: short stacking energy: -784.925 Base-Backbone interact. energy: -0.804 local terms energy: -842.979456 where: bonds (distance) C4'-P energy: -145.576 bonds (distance) P-C4' energy: -178.810 flat angles C4'-P-C4' energy: -171.853 flat angles P-C4'-P energy: -113.281 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: 2, replica: 1 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -2584.999481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.999481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.999481 (E_RNA) where: Base-Base interactions energy: -1775.738 where: short stacking energy: -754.032 Base-Backbone interact. energy: -5.462 local terms energy: -803.798896 where: bonds (distance) C4'-P energy: -161.771 bonds (distance) P-C4' energy: -158.061 flat angles C4'-P-C4' energy: -176.447 flat angles P-C4'-P energy: -103.200 tors. eta vs tors. theta energy: -204.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2518.445807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.445807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.445807 (E_RNA) where: Base-Base interactions energy: -1685.860 where: short stacking energy: -718.098 Base-Backbone interact. energy: -9.065 local terms energy: -823.520479 where: bonds (distance) C4'-P energy: -159.748 bonds (distance) P-C4' energy: -153.643 flat angles C4'-P-C4' energy: -174.743 flat angles P-C4'-P energy: -122.657 tors. eta vs tors. theta energy: -212.729 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: 408 Temperature: 1.050000 Total energy: -2392.099684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.099684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.099684 (E_RNA) where: Base-Base interactions energy: -1644.237 where: short stacking energy: -681.009 Base-Backbone interact. energy: 4.028 local terms energy: -751.890856 where: bonds (distance) C4'-P energy: -145.933 bonds (distance) P-C4' energy: -137.334 flat angles C4'-P-C4' energy: -173.042 flat angles P-C4'-P energy: -102.266 tors. eta vs tors. theta energy: -193.316 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: 6 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -2204.170648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.170648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.170648 (E_RNA) where: Base-Base interactions energy: -1452.282 where: short stacking energy: -652.741 Base-Backbone interact. energy: -2.561 local terms energy: -749.327882 where: bonds (distance) C4'-P energy: -158.678 bonds (distance) P-C4' energy: -150.154 flat angles C4'-P-C4' energy: -170.521 flat angles P-C4'-P energy: -91.702 tors. eta vs tors. theta energy: -178.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -2001.278622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.278622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.278622 (E_RNA) where: Base-Base interactions energy: -1304.894 where: short stacking energy: -582.411 Base-Backbone interact. energy: -2.447 local terms energy: -693.938175 where: bonds (distance) C4'-P energy: -156.829 bonds (distance) P-C4' energy: -130.758 flat angles C4'-P-C4' energy: -155.269 flat angles P-C4'-P energy: -84.481 tors. eta vs tors. theta energy: -166.602 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: 10 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1643.281694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.281694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.281694 (E_RNA) where: Base-Base interactions energy: -1035.969 where: short stacking energy: -514.760 Base-Backbone interact. energy: 0.170 local terms energy: -607.482482 where: bonds (distance) C4'-P energy: -129.778 bonds (distance) P-C4' energy: -126.423 flat angles C4'-P-C4' energy: -155.036 flat angles P-C4'-P energy: -64.800 tors. eta vs tors. theta energy: -131.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1374.240861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.240861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.240861 (E_RNA) where: Base-Base interactions energy: -857.612 where: short stacking energy: -428.340 Base-Backbone interact. energy: -0.159 local terms energy: -516.470415 where: bonds (distance) C4'-P energy: -115.682 bonds (distance) P-C4' energy: -137.552 flat angles C4'-P-C4' energy: -145.736 flat angles P-C4'-P energy: -51.464 tors. eta vs tors. theta energy: -66.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -796.321408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.321408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.321408 (E_RNA) where: Base-Base interactions energy: -358.505 where: short stacking energy: -227.035 Base-Backbone interact. energy: 6.505 local terms energy: -444.320975 where: bonds (distance) C4'-P energy: -130.129 bonds (distance) P-C4' energy: -134.805 flat angles C4'-P-C4' energy: -123.172 flat angles P-C4'-P energy: -68.866 tors. eta vs tors. theta energy: 12.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -692.629103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.629103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.629103 (E_RNA) where: Base-Base interactions energy: -306.838 where: short stacking energy: -220.224 Base-Backbone interact. energy: -0.338 local terms energy: -385.452896 where: bonds (distance) C4'-P energy: -126.675 bonds (distance) P-C4' energy: -127.767 flat angles C4'-P-C4' energy: -92.764 flat angles P-C4'-P energy: -46.966 tors. eta vs tors. theta energy: 8.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -2721.510006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.510006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.510006 (E_RNA) where: Base-Base interactions energy: -1882.184 where: short stacking energy: -837.947 Base-Backbone interact. energy: -1.682 local terms energy: -837.644639 where: bonds (distance) C4'-P energy: -166.075 bonds (distance) P-C4' energy: -150.315 flat angles C4'-P-C4' energy: -174.510 flat angles P-C4'-P energy: -116.152 tors. eta vs tors. theta energy: -230.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -2573.060175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.060175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.060175 (E_RNA) where: Base-Base interactions energy: -1774.466 where: short stacking energy: -746.787 Base-Backbone interact. energy: -2.011 local terms energy: -796.582965 where: bonds (distance) C4'-P energy: -155.975 bonds (distance) P-C4' energy: -150.331 flat angles C4'-P-C4' energy: -175.437 flat angles P-C4'-P energy: -99.284 tors. eta vs tors. theta energy: -215.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -2492.466937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.466937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.466937 (E_RNA) where: Base-Base interactions energy: -1711.703 where: short stacking energy: -691.845 Base-Backbone interact. energy: -0.126 local terms energy: -780.637259 where: bonds (distance) C4'-P energy: -133.232 bonds (distance) P-C4' energy: -153.070 flat angles C4'-P-C4' energy: -163.083 flat angles P-C4'-P energy: -124.206 tors. eta vs tors. theta energy: -207.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -2386.805256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.805256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.805256 (E_RNA) where: Base-Base interactions energy: -1629.443 where: short stacking energy: -700.136 Base-Backbone interact. energy: -3.222 local terms energy: -754.140531 where: bonds (distance) C4'-P energy: -144.714 bonds (distance) P-C4' energy: -146.262 flat angles C4'-P-C4' energy: -172.242 flat angles P-C4'-P energy: -102.955 tors. eta vs tors. theta energy: -187.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -2187.622496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.622496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.622496 (E_RNA) where: Base-Base interactions energy: -1453.860 where: short stacking energy: -646.140 Base-Backbone interact. energy: -0.522 local terms energy: -733.240487 where: bonds (distance) C4'-P energy: -124.677 bonds (distance) P-C4' energy: -164.423 flat angles C4'-P-C4' energy: -162.947 flat angles P-C4'-P energy: -106.472 tors. eta vs tors. theta energy: -174.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -1908.963203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.963203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.963203 (E_RNA) where: Base-Base interactions energy: -1213.679 where: short stacking energy: -558.491 Base-Backbone interact. energy: -2.708 local terms energy: -692.575495 where: bonds (distance) C4'-P energy: -140.362 bonds (distance) P-C4' energy: -152.066 flat angles C4'-P-C4' energy: -152.156 flat angles P-C4'-P energy: -98.312 tors. eta vs tors. theta energy: -149.680 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: 7, replica: 10 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1643.343079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.343079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.343079 (E_RNA) where: Base-Base interactions energy: -1045.356 where: short stacking energy: -462.959 Base-Backbone interact. energy: 1.152 local terms energy: -599.138604 where: bonds (distance) C4'-P energy: -138.489 bonds (distance) P-C4' energy: -142.750 flat angles C4'-P-C4' energy: -146.978 flat angles P-C4'-P energy: -68.632 tors. eta vs tors. theta energy: -102.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1339.328448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.328448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.328448 (E_RNA) where: Base-Base interactions energy: -815.486 where: short stacking energy: -394.159 Base-Backbone interact. energy: -0.307 local terms energy: -523.535875 where: bonds (distance) C4'-P energy: -125.320 bonds (distance) P-C4' energy: -129.427 flat angles C4'-P-C4' energy: -134.638 flat angles P-C4'-P energy: -71.258 tors. eta vs tors. theta energy: -62.892 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: 7 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -786.509382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.509382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.509382 (E_RNA) where: Base-Base interactions energy: -371.842 where: short stacking energy: -241.763 Base-Backbone interact. energy: -0.645 local terms energy: -414.022472 where: bonds (distance) C4'-P energy: -112.578 bonds (distance) P-C4' energy: -115.265 flat angles C4'-P-C4' energy: -113.577 flat angles P-C4'-P energy: -74.439 tors. eta vs tors. theta energy: 1.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -667.117918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.117918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.117918 (E_RNA) where: Base-Base interactions energy: -277.240 where: short stacking energy: -208.161 Base-Backbone interact. energy: -2.702 local terms energy: -387.176060 where: bonds (distance) C4'-P energy: -115.683 bonds (distance) P-C4' energy: -120.187 flat angles C4'-P-C4' energy: -112.101 flat angles P-C4'-P energy: -56.973 tors. eta vs tors. theta energy: 17.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -2772.842400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.842400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.842400 (E_RNA) where: Base-Base interactions energy: -1896.058 where: short stacking energy: -761.733 Base-Backbone interact. energy: -0.464 local terms energy: -876.320644 where: bonds (distance) C4'-P energy: -166.789 bonds (distance) P-C4' energy: -187.265 flat angles C4'-P-C4' energy: -178.397 flat angles P-C4'-P energy: -114.380 tors. eta vs tors. theta energy: -229.491 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: 1 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -2600.736305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.736305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.736305 (E_RNA) where: Base-Base interactions energy: -1775.930 where: short stacking energy: -770.418 Base-Backbone interact. energy: -7.003 local terms energy: -817.803446 where: bonds (distance) C4'-P energy: -155.967 bonds (distance) P-C4' energy: -152.635 flat angles C4'-P-C4' energy: -176.705 flat angles P-C4'-P energy: -108.531 tors. eta vs tors. theta energy: -223.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -2528.163130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.163130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.163130 (E_RNA) where: Base-Base interactions energy: -1728.042 where: short stacking energy: -721.248 Base-Backbone interact. energy: -5.995 local terms energy: -794.125839 where: bonds (distance) C4'-P energy: -161.340 bonds (distance) P-C4' energy: -143.492 flat angles C4'-P-C4' energy: -161.667 flat angles P-C4'-P energy: -111.758 tors. eta vs tors. theta energy: -215.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -2386.186015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.186015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.186015 (E_RNA) where: Base-Base interactions energy: -1614.954 where: short stacking energy: -688.901 Base-Backbone interact. energy: -1.784 local terms energy: -769.448776 where: bonds (distance) C4'-P energy: -148.107 bonds (distance) P-C4' energy: -155.032 flat angles C4'-P-C4' energy: -175.815 flat angles P-C4'-P energy: -110.882 tors. eta vs tors. theta energy: -179.612 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: 6 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -2190.257144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.257144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.257144 (E_RNA) where: Base-Base interactions energy: -1465.439 where: short stacking energy: -663.332 Base-Backbone interact. energy: 2.310 local terms energy: -727.128419 where: bonds (distance) C4'-P energy: -126.838 bonds (distance) P-C4' energy: -155.495 flat angles C4'-P-C4' energy: -154.053 flat angles P-C4'-P energy: -108.266 tors. eta vs tors. theta energy: -182.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -1959.781190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.781190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.781190 (E_RNA) where: Base-Base interactions energy: -1242.670 where: short stacking energy: -622.171 Base-Backbone interact. energy: 0.535 local terms energy: -717.646676 where: bonds (distance) C4'-P energy: -149.720 bonds (distance) P-C4' energy: -146.635 flat angles C4'-P-C4' energy: -159.337 flat angles P-C4'-P energy: -93.634 tors. eta vs tors. theta energy: -168.320 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: 10 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1605.257371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.257371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.257371 (E_RNA) where: Base-Base interactions energy: -1002.134 where: short stacking energy: -444.550 Base-Backbone interact. energy: 8.830 local terms energy: -611.953507 where: bonds (distance) C4'-P energy: -140.089 bonds (distance) P-C4' energy: -133.711 flat angles C4'-P-C4' energy: -148.592 flat angles P-C4'-P energy: -95.979 tors. eta vs tors. theta energy: -93.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1420.465235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.465235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.465235 (E_RNA) where: Base-Base interactions energy: -917.385 where: short stacking energy: -378.400 Base-Backbone interact. energy: -0.356 local terms energy: -502.725020 where: bonds (distance) C4'-P energy: -129.567 bonds (distance) P-C4' energy: -121.585 flat angles C4'-P-C4' energy: -136.453 flat angles P-C4'-P energy: -57.176 tors. eta vs tors. theta energy: -57.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -812.695738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.695738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.695738 (E_RNA) where: Base-Base interactions energy: -386.097 where: short stacking energy: -263.419 Base-Backbone interact. energy: -2.372 local terms energy: -424.226713 where: bonds (distance) C4'-P energy: -133.205 bonds (distance) P-C4' energy: -139.818 flat angles C4'-P-C4' energy: -121.540 flat angles P-C4'-P energy: -47.658 tors. eta vs tors. theta energy: 17.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -643.591464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.591464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.591464 (E_RNA) where: Base-Base interactions energy: -186.983 where: short stacking energy: -178.659 Base-Backbone interact. energy: 1.668 local terms energy: -458.276808 where: bonds (distance) C4'-P energy: -129.576 bonds (distance) P-C4' energy: -141.576 flat angles C4'-P-C4' energy: -111.261 flat angles P-C4'-P energy: -85.093 tors. eta vs tors. theta energy: 9.228 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: 1, replica: 2 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -2777.660186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.660186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.660186 (E_RNA) where: Base-Base interactions energy: -1916.570 where: short stacking energy: -803.965 Base-Backbone interact. energy: -1.371 local terms energy: -859.718824 where: bonds (distance) C4'-P energy: -170.277 bonds (distance) P-C4' energy: -167.852 flat angles C4'-P-C4' energy: -183.517 flat angles P-C4'-P energy: -108.507 tors. eta vs tors. theta energy: -229.565 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: 1 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -2603.077379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.077379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.077379 (E_RNA) where: Base-Base interactions energy: -1787.642 where: short stacking energy: -753.554 Base-Backbone interact. energy: -2.538 local terms energy: -812.897688 where: bonds (distance) C4'-P energy: -141.208 bonds (distance) P-C4' energy: -157.501 flat angles C4'-P-C4' energy: -185.673 flat angles P-C4'-P energy: -115.307 tors. eta vs tors. theta energy: -213.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -2497.854066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.854066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.854066 (E_RNA) where: Base-Base interactions energy: -1696.317 where: short stacking energy: -718.738 Base-Backbone interact. energy: -3.015 local terms energy: -798.521448 where: bonds (distance) C4'-P energy: -139.643 bonds (distance) P-C4' energy: -162.863 flat angles C4'-P-C4' energy: -171.400 flat angles P-C4'-P energy: -113.930 tors. eta vs tors. theta energy: -210.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -2358.465192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.465192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.465192 (E_RNA) where: Base-Base interactions energy: -1633.409 where: short stacking energy: -689.586 Base-Backbone interact. energy: 1.317 local terms energy: -726.373285 where: bonds (distance) C4'-P energy: -142.818 bonds (distance) P-C4' energy: -152.422 flat angles C4'-P-C4' energy: -167.999 flat angles P-C4'-P energy: -88.217 tors. eta vs tors. theta energy: -174.918 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: 6 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -2212.894772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.894772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.894772 (E_RNA) where: Base-Base interactions energy: -1496.165 where: short stacking energy: -676.436 Base-Backbone interact. energy: -4.845 local terms energy: -711.885280 where: bonds (distance) C4'-P energy: -131.309 bonds (distance) P-C4' energy: -137.804 flat angles C4'-P-C4' energy: -161.182 flat angles P-C4'-P energy: -96.192 tors. eta vs tors. theta energy: -185.399 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: 411 Temperature: 1.150000 Total energy: -1940.867065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.867065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.867065 (E_RNA) where: Base-Base interactions energy: -1237.751 where: short stacking energy: -593.338 Base-Backbone interact. energy: -2.662 local terms energy: -700.454653 where: bonds (distance) C4'-P energy: -142.351 bonds (distance) P-C4' energy: -155.195 flat angles C4'-P-C4' energy: -162.146 flat angles P-C4'-P energy: -89.293 tors. eta vs tors. theta energy: -151.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1657.386519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.386519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.386519 (E_RNA) where: Base-Base interactions energy: -1036.749 where: short stacking energy: -489.078 Base-Backbone interact. energy: -3.568 local terms energy: -617.069270 where: bonds (distance) C4'-P energy: -132.713 bonds (distance) P-C4' energy: -123.816 flat angles C4'-P-C4' energy: -154.143 flat angles P-C4'-P energy: -100.962 tors. eta vs tors. theta energy: -105.435 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: 8, replica: 3 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1404.756548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.756548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.756548 (E_RNA) where: Base-Base interactions energy: -880.005 where: short stacking energy: -417.002 Base-Backbone interact. energy: 3.638 local terms energy: -528.390197 where: bonds (distance) C4'-P energy: -140.496 bonds (distance) P-C4' energy: -132.960 flat angles C4'-P-C4' energy: -125.827 flat angles P-C4'-P energy: -63.877 tors. eta vs tors. theta energy: -65.231 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: 9, replica: 7 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -802.162068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.162068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.162068 (E_RNA) where: Base-Base interactions energy: -368.942 where: short stacking energy: -218.593 Base-Backbone interact. energy: 2.312 local terms energy: -435.532845 where: bonds (distance) C4'-P energy: -128.409 bonds (distance) P-C4' energy: -117.567 flat angles C4'-P-C4' energy: -118.619 flat angles P-C4'-P energy: -63.860 tors. eta vs tors. theta energy: -7.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -604.054268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.054268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.054268 (E_RNA) where: Base-Base interactions energy: -214.281 where: short stacking energy: -152.982 Base-Backbone interact. energy: 2.917 local terms energy: -392.689734 where: bonds (distance) C4'-P energy: -119.971 bonds (distance) P-C4' energy: -130.637 flat angles C4'-P-C4' energy: -124.717 flat angles P-C4'-P energy: -51.025 tors. eta vs tors. theta energy: 33.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -2741.230742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.230742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.230742 (E_RNA) where: Base-Base interactions energy: -1898.783 where: short stacking energy: -786.300 Base-Backbone interact. energy: 1.897 local terms energy: -844.344902 where: bonds (distance) C4'-P energy: -162.174 bonds (distance) P-C4' energy: -158.205 flat angles C4'-P-C4' energy: -174.592 flat angles P-C4'-P energy: -122.887 tors. eta vs tors. theta energy: -226.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -2599.807731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.807731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.807731 (E_RNA) where: Base-Base interactions energy: -1751.820 where: short stacking energy: -763.044 Base-Backbone interact. energy: -3.352 local terms energy: -844.635767 where: bonds (distance) C4'-P energy: -168.770 bonds (distance) P-C4' energy: -161.068 flat angles C4'-P-C4' energy: -173.569 flat angles P-C4'-P energy: -118.812 tors. eta vs tors. theta energy: -222.416 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: 8 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -2474.477386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.477386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.477386 (E_RNA) where: Base-Base interactions energy: -1681.144 where: short stacking energy: -721.768 Base-Backbone interact. energy: -3.055 local terms energy: -790.278431 where: bonds (distance) C4'-P energy: -150.130 bonds (distance) P-C4' energy: -142.312 flat angles C4'-P-C4' energy: -167.500 flat angles P-C4'-P energy: -123.910 tors. eta vs tors. theta energy: -206.426 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: 4, replica: 4 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -2412.802099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.802099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.802099 (E_RNA) where: Base-Base interactions energy: -1659.484 where: short stacking energy: -705.139 Base-Backbone interact. energy: -2.687 local terms energy: -750.631968 where: bonds (distance) C4'-P energy: -131.623 bonds (distance) P-C4' energy: -140.389 flat angles C4'-P-C4' energy: -160.791 flat angles P-C4'-P energy: -114.015 tors. eta vs tors. theta energy: -203.815 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: 6 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -2204.636944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.636944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.636944 (E_RNA) where: Base-Base interactions energy: -1477.389 where: short stacking energy: -661.502 Base-Backbone interact. energy: -0.917 local terms energy: -726.331290 where: bonds (distance) C4'-P energy: -125.358 bonds (distance) P-C4' energy: -150.208 flat angles C4'-P-C4' energy: -160.413 flat angles P-C4'-P energy: -101.922 tors. eta vs tors. theta energy: -188.430 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: 6, replica: 5 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1906.937787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.937787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.937787 (E_RNA) where: Base-Base interactions energy: -1239.195 where: short stacking energy: -543.216 Base-Backbone interact. energy: -2.989 local terms energy: -664.753467 where: bonds (distance) C4'-P energy: -135.582 bonds (distance) P-C4' energy: -149.590 flat angles C4'-P-C4' energy: -156.612 flat angles P-C4'-P energy: -96.856 tors. eta vs tors. theta energy: -126.113 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: 10 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1686.762290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.762290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.762290 (E_RNA) where: Base-Base interactions energy: -1077.588 where: short stacking energy: -498.952 Base-Backbone interact. energy: -5.663 local terms energy: -603.511031 where: bonds (distance) C4'-P energy: -114.550 bonds (distance) P-C4' energy: -158.343 flat angles C4'-P-C4' energy: -131.189 flat angles P-C4'-P energy: -81.391 tors. eta vs tors. theta energy: -118.037 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: 3 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1324.923880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.923880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.923880 (E_RNA) where: Base-Base interactions energy: -808.076 where: short stacking energy: -367.224 Base-Backbone interact. energy: 9.220 local terms energy: -526.067322 where: bonds (distance) C4'-P energy: -118.032 bonds (distance) P-C4' energy: -146.184 flat angles C4'-P-C4' energy: -122.048 flat angles P-C4'-P energy: -70.644 tors. eta vs tors. theta energy: -69.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -811.587812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.587812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.587812 (E_RNA) where: Base-Base interactions energy: -365.331 where: short stacking energy: -222.440 Base-Backbone interact. energy: 6.731 local terms energy: -452.987498 where: bonds (distance) C4'-P energy: -128.631 bonds (distance) P-C4' energy: -141.083 flat angles C4'-P-C4' energy: -131.064 flat angles P-C4'-P energy: -65.426 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: 10, replica: 9 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -604.366956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.366956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.366956 (E_RNA) where: Base-Base interactions energy: -216.862 where: short stacking energy: -192.216 Base-Backbone interact. energy: -1.276 local terms energy: -386.229489 where: bonds (distance) C4'-P energy: -125.818 bonds (distance) P-C4' energy: -118.832 flat angles C4'-P-C4' energy: -127.720 flat angles P-C4'-P energy: -48.848 tors. eta vs tors. theta energy: 34.989 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: 1, replica: 2 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -2754.384641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.384641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.384641 (E_RNA) where: Base-Base interactions energy: -1907.025 where: short stacking energy: -801.680 Base-Backbone interact. energy: 1.323 local terms energy: -848.682310 where: bonds (distance) C4'-P energy: -150.950 bonds (distance) P-C4' energy: -155.334 flat angles C4'-P-C4' energy: -194.877 flat angles P-C4'-P energy: -120.780 tors. eta vs tors. theta energy: -226.741 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: 1 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -2585.189088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.189088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.189088 (E_RNA) where: Base-Base interactions energy: -1763.929 where: short stacking energy: -790.351 Base-Backbone interact. energy: -2.220 local terms energy: -819.040610 where: bonds (distance) C4'-P energy: -153.901 bonds (distance) P-C4' energy: -165.185 flat angles C4'-P-C4' energy: -174.450 flat angles P-C4'-P energy: -94.779 tors. eta vs tors. theta energy: -230.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -2493.553448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.553448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.553448 (E_RNA) where: Base-Base interactions energy: -1714.247 where: short stacking energy: -712.121 Base-Backbone interact. energy: -4.669 local terms energy: -774.637330 where: bonds (distance) C4'-P energy: -135.592 bonds (distance) P-C4' energy: -143.806 flat angles C4'-P-C4' energy: -175.653 flat angles P-C4'-P energy: -106.135 tors. eta vs tors. theta energy: -213.451 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: 4 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -2451.657089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.657089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.657089 (E_RNA) where: Base-Base interactions energy: -1658.632 where: short stacking energy: -705.593 Base-Backbone interact. energy: -2.272 local terms energy: -790.752410 where: bonds (distance) C4'-P energy: -146.275 bonds (distance) P-C4' energy: -158.834 flat angles C4'-P-C4' energy: -174.478 flat angles P-C4'-P energy: -112.537 tors. eta vs tors. theta energy: -198.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -2161.103338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.103338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.103338 (E_RNA) where: Base-Base interactions energy: -1438.663 where: short stacking energy: -613.298 Base-Backbone interact. energy: -0.765 local terms energy: -721.675778 where: bonds (distance) C4'-P energy: -142.999 bonds (distance) P-C4' energy: -131.650 flat angles C4'-P-C4' energy: -177.587 flat angles P-C4'-P energy: -91.470 tors. eta vs tors. theta energy: -177.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -1968.584664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.584664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.584664 (E_RNA) where: Base-Base interactions energy: -1255.355 where: short stacking energy: -569.204 Base-Backbone interact. energy: 0.733 local terms energy: -713.963151 where: bonds (distance) C4'-P energy: -146.885 bonds (distance) P-C4' energy: -134.119 flat angles C4'-P-C4' energy: -157.421 flat angles P-C4'-P energy: -105.483 tors. eta vs tors. theta energy: -170.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1667.060470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.060470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.060470 (E_RNA) where: Base-Base interactions energy: -1064.810 where: short stacking energy: -487.829 Base-Backbone interact. energy: -1.101 local terms energy: -601.149389 where: bonds (distance) C4'-P energy: -127.464 bonds (distance) P-C4' energy: -138.125 flat angles C4'-P-C4' energy: -130.844 flat angles P-C4'-P energy: -87.444 tors. eta vs tors. theta energy: -117.273 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: 8, replica: 3 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1323.260411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.260411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.260411 (E_RNA) where: Base-Base interactions energy: -798.424 where: short stacking energy: -382.539 Base-Backbone interact. energy: 7.433 local terms energy: -532.269653 where: bonds (distance) C4'-P energy: -119.270 bonds (distance) P-C4' energy: -152.922 flat angles C4'-P-C4' energy: -113.646 flat angles P-C4'-P energy: -86.583 tors. eta vs tors. theta energy: -59.849 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: 9, replica: 7 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -855.705264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.705264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.705264 (E_RNA) where: Base-Base interactions energy: -414.240 where: short stacking energy: -261.570 Base-Backbone interact. energy: -2.678 local terms energy: -438.787479 where: bonds (distance) C4'-P energy: -129.474 bonds (distance) P-C4' energy: -119.247 flat angles C4'-P-C4' energy: -113.930 flat angles P-C4'-P energy: -69.939 tors. eta vs tors. theta energy: -6.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -635.080576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.080576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.080576 (E_RNA) where: Base-Base interactions energy: -233.613 where: short stacking energy: -171.092 Base-Backbone interact. energy: -2.826 local terms energy: -398.641173 where: bonds (distance) C4'-P energy: -131.014 bonds (distance) P-C4' energy: -140.272 flat angles C4'-P-C4' energy: -102.003 flat angles P-C4'-P energy: -72.843 tors. eta vs tors. theta energy: 47.490 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: 2 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -2746.336410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.336410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.336410 (E_RNA) where: Base-Base interactions energy: -1887.537 where: short stacking energy: -806.597 Base-Backbone interact. energy: -4.627 local terms energy: -854.172165 where: bonds (distance) C4'-P energy: -168.906 bonds (distance) P-C4' energy: -155.380 flat angles C4'-P-C4' energy: -174.572 flat angles P-C4'-P energy: -124.284 tors. eta vs tors. theta energy: -231.030 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: 2, replica: 1 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -2584.051791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.051791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.051791 (E_RNA) where: Base-Base interactions energy: -1770.679 where: short stacking energy: -744.507 Base-Backbone interact. energy: 0.191 local terms energy: -813.564080 where: bonds (distance) C4'-P energy: -169.420 bonds (distance) P-C4' energy: -158.688 flat angles C4'-P-C4' energy: -170.009 flat angles P-C4'-P energy: -107.921 tors. eta vs tors. theta energy: -207.525 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: 3, replica: 8 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -2489.452225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.452225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.452225 (E_RNA) where: Base-Base interactions energy: -1727.647 where: short stacking energy: -739.179 Base-Backbone interact. energy: 2.239 local terms energy: -764.044265 where: bonds (distance) C4'-P energy: -134.446 bonds (distance) P-C4' energy: -144.256 flat angles C4'-P-C4' energy: -158.363 flat angles P-C4'-P energy: -120.087 tors. eta vs tors. theta energy: -206.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -2455.858893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.858893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.858893 (E_RNA) where: Base-Base interactions energy: -1693.063 where: short stacking energy: -711.776 Base-Backbone interact. energy: 4.295 local terms energy: -767.090332 where: bonds (distance) C4'-P energy: -149.192 bonds (distance) P-C4' energy: -140.242 flat angles C4'-P-C4' energy: -176.858 flat angles P-C4'-P energy: -111.142 tors. eta vs tors. theta energy: -189.656 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: 6 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -2215.898725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.898725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.898725 (E_RNA) where: Base-Base interactions energy: -1457.957 where: short stacking energy: -658.653 Base-Backbone interact. energy: 2.398 local terms energy: -760.339632 where: bonds (distance) C4'-P energy: -147.834 bonds (distance) P-C4' energy: -141.792 flat angles C4'-P-C4' energy: -161.986 flat angles P-C4'-P energy: -116.212 tors. eta vs tors. theta energy: -192.515 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: 5 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -1953.917981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.917981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.917981 (E_RNA) where: Base-Base interactions energy: -1282.548 where: short stacking energy: -598.965 Base-Backbone interact. energy: 0.464 local terms energy: -671.834231 where: bonds (distance) C4'-P energy: -133.492 bonds (distance) P-C4' energy: -138.556 flat angles C4'-P-C4' energy: -168.026 flat angles P-C4'-P energy: -88.138 tors. eta vs tors. theta energy: -143.622 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: 10 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1656.525269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.525269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.525269 (E_RNA) where: Base-Base interactions energy: -1060.616 where: short stacking energy: -504.387 Base-Backbone interact. energy: 1.367 local terms energy: -597.276873 where: bonds (distance) C4'-P energy: -163.243 bonds (distance) P-C4' energy: -133.866 flat angles C4'-P-C4' energy: -113.952 flat angles P-C4'-P energy: -85.963 tors. eta vs tors. theta energy: -100.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1342.317198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.317198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.317198 (E_RNA) where: Base-Base interactions energy: -782.526 where: short stacking energy: -364.114 Base-Backbone interact. energy: -3.926 local terms energy: -555.865200 where: bonds (distance) C4'-P energy: -123.623 bonds (distance) P-C4' energy: -140.773 flat angles C4'-P-C4' energy: -131.632 flat angles P-C4'-P energy: -98.988 tors. eta vs tors. theta energy: -60.849 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: 9, replica: 7 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -830.167608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.167608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.167608 (E_RNA) where: Base-Base interactions energy: -373.417 where: short stacking energy: -239.403 Base-Backbone interact. energy: -1.846 local terms energy: -454.904163 where: bonds (distance) C4'-P energy: -134.952 bonds (distance) P-C4' energy: -124.206 flat angles C4'-P-C4' energy: -124.933 flat angles P-C4'-P energy: -69.841 tors. eta vs tors. theta energy: -0.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -736.408176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.408176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.408176 (E_RNA) where: Base-Base interactions energy: -301.350 where: short stacking energy: -239.285 Base-Backbone interact. energy: 3.586 local terms energy: -438.644245 where: bonds (distance) C4'-P energy: -136.262 bonds (distance) P-C4' energy: -129.650 flat angles C4'-P-C4' energy: -126.380 flat angles P-C4'-P energy: -38.422 tors. eta vs tors. theta energy: -7.930 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: 1, replica: 2 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -2755.265651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.265651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.265651 (E_RNA) where: Base-Base interactions energy: -1877.047 where: short stacking energy: -796.431 Base-Backbone interact. energy: -3.715 local terms energy: -874.503917 where: bonds (distance) C4'-P energy: -161.444 bonds (distance) P-C4' energy: -173.922 flat angles C4'-P-C4' energy: -188.190 flat angles P-C4'-P energy: -118.837 tors. eta vs tors. theta energy: -232.110 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: 2, replica: 8 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -2573.616543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.616543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.616543 (E_RNA) where: Base-Base interactions energy: -1770.946 where: short stacking energy: -728.327 Base-Backbone interact. energy: -2.834 local terms energy: -799.836517 where: bonds (distance) C4'-P energy: -144.418 bonds (distance) P-C4' energy: -152.739 flat angles C4'-P-C4' energy: -166.866 flat angles P-C4'-P energy: -121.063 tors. eta vs tors. theta energy: -214.751 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: 3, replica: 1 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -2495.267857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.267857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.267857 (E_RNA) where: Base-Base interactions energy: -1734.420 where: short stacking energy: -700.779 Base-Backbone interact. energy: -6.200 local terms energy: -754.646984 where: bonds (distance) C4'-P energy: -142.542 bonds (distance) P-C4' energy: -150.321 flat angles C4'-P-C4' energy: -158.309 flat angles P-C4'-P energy: -107.282 tors. eta vs tors. theta energy: -196.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -2464.533541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.533541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.533541 (E_RNA) where: Base-Base interactions energy: -1696.909 where: short stacking energy: -729.782 Base-Backbone interact. energy: 1.846 local terms energy: -769.470171 where: bonds (distance) C4'-P energy: -145.433 bonds (distance) P-C4' energy: -153.933 flat angles C4'-P-C4' energy: -168.481 flat angles P-C4'-P energy: -92.761 tors. eta vs tors. theta energy: -208.863 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: 6 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -2159.035193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.035193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.035193 (E_RNA) where: Base-Base interactions energy: -1420.569 where: short stacking energy: -641.027 Base-Backbone interact. energy: -3.811 local terms energy: -734.655065 where: bonds (distance) C4'-P energy: -135.678 bonds (distance) P-C4' energy: -145.561 flat angles C4'-P-C4' energy: -171.842 flat angles P-C4'-P energy: -96.756 tors. eta vs tors. theta energy: -184.817 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: 6, replica: 5 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -1946.039524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.039524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.039524 (E_RNA) where: Base-Base interactions energy: -1271.678 where: short stacking energy: -570.450 Base-Backbone interact. energy: -0.325 local terms energy: -674.037273 where: bonds (distance) C4'-P energy: -156.082 bonds (distance) P-C4' energy: -132.019 flat angles C4'-P-C4' energy: -149.699 flat angles P-C4'-P energy: -92.335 tors. eta vs tors. theta energy: -143.902 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: 10 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1629.214069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.214069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.214069 (E_RNA) where: Base-Base interactions energy: -1049.948 where: short stacking energy: -495.260 Base-Backbone interact. energy: -1.734 local terms energy: -577.531664 where: bonds (distance) C4'-P energy: -121.218 bonds (distance) P-C4' energy: -118.600 flat angles C4'-P-C4' energy: -138.496 flat angles P-C4'-P energy: -90.663 tors. eta vs tors. theta energy: -108.555 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: 8, replica: 3 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1332.636844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.636844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.636844 (E_RNA) where: Base-Base interactions energy: -800.938 where: short stacking energy: -377.066 Base-Backbone interact. energy: 0.276 local terms energy: -531.974801 where: bonds (distance) C4'-P energy: -121.966 bonds (distance) P-C4' energy: -124.723 flat angles C4'-P-C4' energy: -137.554 flat angles P-C4'-P energy: -84.347 tors. eta vs tors. theta energy: -63.384 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: 7 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -874.115556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.115556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.115556 (E_RNA) where: Base-Base interactions energy: -411.858 where: short stacking energy: -237.414 Base-Backbone interact. energy: 0.222 local terms energy: -462.478727 where: bonds (distance) C4'-P energy: -131.043 bonds (distance) P-C4' energy: -125.226 flat angles C4'-P-C4' energy: -125.148 flat angles P-C4'-P energy: -77.550 tors. eta vs tors. theta energy: -3.513 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: 10, replica: 9 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -676.505371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.505371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.505371 (E_RNA) where: Base-Base interactions energy: -245.779 where: short stacking energy: -192.245 Base-Backbone interact. energy: -0.709 local terms energy: -430.017974 where: bonds (distance) C4'-P energy: -131.713 bonds (distance) P-C4' energy: -131.526 flat angles C4'-P-C4' energy: -118.189 flat angles P-C4'-P energy: -60.560 tors. eta vs tors. theta energy: 11.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -2762.961528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.961528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.961528 (E_RNA) where: Base-Base interactions energy: -1903.376 where: short stacking energy: -825.507 Base-Backbone interact. energy: 1.657 local terms energy: -861.242420 where: bonds (distance) C4'-P energy: -158.859 bonds (distance) P-C4' energy: -171.369 flat angles C4'-P-C4' energy: -180.404 flat angles P-C4'-P energy: -122.527 tors. eta vs tors. theta energy: -228.084 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: 8 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -2577.105728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.105728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.105728 (E_RNA) where: Base-Base interactions energy: -1753.992 where: short stacking energy: -750.750 Base-Backbone interact. energy: -1.298 local terms energy: -821.815604 where: bonds (distance) C4'-P energy: -151.015 bonds (distance) P-C4' energy: -159.668 flat angles C4'-P-C4' energy: -176.548 flat angles P-C4'-P energy: -122.128 tors. eta vs tors. theta energy: -212.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -2473.835618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.835618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.835618 (E_RNA) where: Base-Base interactions energy: -1673.492 where: short stacking energy: -700.381 Base-Backbone interact. energy: -6.647 local terms energy: -793.696812 where: bonds (distance) C4'-P energy: -151.326 bonds (distance) P-C4' energy: -146.573 flat angles C4'-P-C4' energy: -183.737 flat angles P-C4'-P energy: -128.785 tors. eta vs tors. theta energy: -183.275 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: 4 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -2502.721731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.721731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.721731 (E_RNA) where: Base-Base interactions energy: -1709.924 where: short stacking energy: -723.421 Base-Backbone interact. energy: 4.729 local terms energy: -797.526942 where: bonds (distance) C4'-P energy: -149.963 bonds (distance) P-C4' energy: -142.765 flat angles C4'-P-C4' energy: -179.565 flat angles P-C4'-P energy: -116.651 tors. eta vs tors. theta energy: -208.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -2190.232874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.232874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.232874 (E_RNA) where: Base-Base interactions energy: -1478.842 where: short stacking energy: -655.546 Base-Backbone interact. energy: 1.199 local terms energy: -712.589762 where: bonds (distance) C4'-P energy: -140.179 bonds (distance) P-C4' energy: -142.030 flat angles C4'-P-C4' energy: -152.454 flat angles P-C4'-P energy: -111.249 tors. eta vs tors. theta energy: -166.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -1939.265763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.265763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.265763 (E_RNA) where: Base-Base interactions energy: -1219.083 where: short stacking energy: -589.594 Base-Backbone interact. energy: -1.928 local terms energy: -718.254380 where: bonds (distance) C4'-P energy: -134.212 bonds (distance) P-C4' energy: -147.356 flat angles C4'-P-C4' energy: -172.350 flat angles P-C4'-P energy: -103.543 tors. eta vs tors. theta energy: -160.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1603.295721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.295721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.295721 (E_RNA) where: Base-Base interactions energy: -990.037 where: short stacking energy: -476.509 Base-Backbone interact. energy: 1.273 local terms energy: -614.531551 where: bonds (distance) C4'-P energy: -147.513 bonds (distance) P-C4' energy: -139.597 flat angles C4'-P-C4' energy: -142.688 flat angles P-C4'-P energy: -88.018 tors. eta vs tors. theta energy: -96.715 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: 3 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1337.360235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.360235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.360235 (E_RNA) where: Base-Base interactions energy: -792.613 where: short stacking energy: -381.233 Base-Backbone interact. energy: -2.879 local terms energy: -541.868027 where: bonds (distance) C4'-P energy: -123.095 bonds (distance) P-C4' energy: -129.462 flat angles C4'-P-C4' energy: -127.272 flat angles P-C4'-P energy: -88.808 tors. eta vs tors. theta energy: -73.231 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: 9, replica: 7 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -864.664215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.664215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.664215 (E_RNA) where: Base-Base interactions energy: -405.495 where: short stacking energy: -233.672 Base-Backbone interact. energy: 9.375 local terms energy: -468.543746 where: bonds (distance) C4'-P energy: -141.656 bonds (distance) P-C4' energy: -134.953 flat angles C4'-P-C4' energy: -112.863 flat angles P-C4'-P energy: -70.228 tors. eta vs tors. theta energy: -8.844 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: 9 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -592.342702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.342702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.342702 (E_RNA) where: Base-Base interactions energy: -209.868 where: short stacking energy: -175.378 Base-Backbone interact. energy: -0.045 local terms energy: -382.429530 where: bonds (distance) C4'-P energy: -108.401 bonds (distance) P-C4' energy: -116.264 flat angles C4'-P-C4' energy: -125.083 flat angles P-C4'-P energy: -66.004 tors. eta vs tors. theta energy: 33.323 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: 2 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -2774.848648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.848648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.848648 (E_RNA) where: Base-Base interactions energy: -1911.135 where: short stacking energy: -776.382 Base-Backbone interact. energy: -2.333 local terms energy: -861.381314 where: bonds (distance) C4'-P energy: -168.735 bonds (distance) P-C4' energy: -155.768 flat angles C4'-P-C4' energy: -185.433 flat angles P-C4'-P energy: -122.337 tors. eta vs tors. theta energy: -229.108 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: 1 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -2583.857330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.857330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.857330 (E_RNA) where: Base-Base interactions energy: -1778.682 where: short stacking energy: -748.134 Base-Backbone interact. energy: -1.231 local terms energy: -803.944170 where: bonds (distance) C4'-P energy: -154.686 bonds (distance) P-C4' energy: -148.580 flat angles C4'-P-C4' energy: -168.854 flat angles P-C4'-P energy: -120.326 tors. eta vs tors. theta energy: -211.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -2501.443418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.443418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.443418 (E_RNA) where: Base-Base interactions energy: -1713.494 where: short stacking energy: -714.186 Base-Backbone interact. energy: -3.479 local terms energy: -784.470431 where: bonds (distance) C4'-P energy: -139.627 bonds (distance) P-C4' energy: -158.552 flat angles C4'-P-C4' energy: -168.955 flat angles P-C4'-P energy: -103.970 tors. eta vs tors. theta energy: -213.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -2486.389206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.389206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.389206 (E_RNA) where: Base-Base interactions energy: -1707.303 where: short stacking energy: -734.477 Base-Backbone interact. energy: -2.973 local terms energy: -776.113026 where: bonds (distance) C4'-P energy: -144.659 bonds (distance) P-C4' energy: -149.798 flat angles C4'-P-C4' energy: -158.181 flat angles P-C4'-P energy: -116.801 tors. eta vs tors. theta energy: -206.674 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: 5, replica: 6 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -2190.350634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.350634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.350634 (E_RNA) where: Base-Base interactions energy: -1483.693 where: short stacking energy: -629.032 Base-Backbone interact. energy: -3.105 local terms energy: -703.551994 where: bonds (distance) C4'-P energy: -135.126 bonds (distance) P-C4' energy: -150.397 flat angles C4'-P-C4' energy: -145.796 flat angles P-C4'-P energy: -94.156 tors. eta vs tors. theta energy: -178.077 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: 6, replica: 5 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -1910.434304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.434304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.434304 (E_RNA) where: Base-Base interactions energy: -1208.826 where: short stacking energy: -571.373 Base-Backbone interact. energy: -5.462 local terms energy: -696.145969 where: bonds (distance) C4'-P energy: -138.176 bonds (distance) P-C4' energy: -143.897 flat angles C4'-P-C4' energy: -159.173 flat angles P-C4'-P energy: -103.034 tors. eta vs tors. theta energy: -151.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1633.555758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.555758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.555758 (E_RNA) where: Base-Base interactions energy: -1023.464 where: short stacking energy: -481.112 Base-Backbone interact. energy: -1.239 local terms energy: -608.852730 where: bonds (distance) C4'-P energy: -121.303 bonds (distance) P-C4' energy: -146.804 flat angles C4'-P-C4' energy: -142.816 flat angles P-C4'-P energy: -85.554 tors. eta vs tors. theta energy: -112.376 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: 8, replica: 3 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1374.620826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.620826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.620826 (E_RNA) where: Base-Base interactions energy: -833.404 where: short stacking energy: -379.763 Base-Backbone interact. energy: -0.655 local terms energy: -540.561941 where: bonds (distance) C4'-P energy: -139.891 bonds (distance) P-C4' energy: -132.366 flat angles C4'-P-C4' energy: -129.459 flat angles P-C4'-P energy: -72.217 tors. eta vs tors. theta energy: -66.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -844.312512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.312512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.312512 (E_RNA) where: Base-Base interactions energy: -391.088 where: short stacking energy: -236.169 Base-Backbone interact. energy: -1.386 local terms energy: -451.838154 where: bonds (distance) C4'-P energy: -140.353 bonds (distance) P-C4' energy: -130.112 flat angles C4'-P-C4' energy: -91.602 flat angles P-C4'-P energy: -84.851 tors. eta vs tors. theta energy: -4.919 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: 10, replica: 9 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -615.157324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.157324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.157324 (E_RNA) where: Base-Base interactions energy: -212.562 where: short stacking energy: -186.046 Base-Backbone interact. energy: -1.021 local terms energy: -401.575063 where: bonds (distance) C4'-P energy: -116.237 bonds (distance) P-C4' energy: -132.831 flat angles C4'-P-C4' energy: -117.306 flat angles P-C4'-P energy: -55.443 tors. eta vs tors. theta energy: 20.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -2727.518821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.518821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.518821 (E_RNA) where: Base-Base interactions energy: -1865.751 where: short stacking energy: -784.750 Base-Backbone interact. energy: -5.817 local terms energy: -855.950330 where: bonds (distance) C4'-P energy: -161.836 bonds (distance) P-C4' energy: -159.599 flat angles C4'-P-C4' energy: -173.715 flat angles P-C4'-P energy: -120.404 tors. eta vs tors. theta energy: -240.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -2585.856463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.856463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.856463 (E_RNA) where: Base-Base interactions energy: -1758.967 where: short stacking energy: -772.327 Base-Backbone interact. energy: -3.971 local terms energy: -822.918434 where: bonds (distance) C4'-P energy: -159.812 bonds (distance) P-C4' energy: -145.588 flat angles C4'-P-C4' energy: -187.073 flat angles P-C4'-P energy: -106.868 tors. eta vs tors. theta energy: -223.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -2514.162019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.162019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.162019 (E_RNA) where: Base-Base interactions energy: -1732.084 where: short stacking energy: -720.685 Base-Backbone interact. energy: -4.022 local terms energy: -778.055756 where: bonds (distance) C4'-P energy: -130.944 bonds (distance) P-C4' energy: -144.265 flat angles C4'-P-C4' energy: -177.502 flat angles P-C4'-P energy: -121.627 tors. eta vs tors. theta energy: -203.717 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: 4, replica: 4 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -2414.859840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.859840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.859840 (E_RNA) where: Base-Base interactions energy: -1666.008 where: short stacking energy: -708.897 Base-Backbone interact. energy: -2.684 local terms energy: -746.167905 where: bonds (distance) C4'-P energy: -132.858 bonds (distance) P-C4' energy: -142.440 flat angles C4'-P-C4' energy: -174.688 flat angles P-C4'-P energy: -94.592 tors. eta vs tors. theta energy: -201.591 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: 5, replica: 6 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -2213.957470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.957470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.957470 (E_RNA) where: Base-Base interactions energy: -1504.106 where: short stacking energy: -634.107 Base-Backbone interact. energy: 4.612 local terms energy: -714.463972 where: bonds (distance) C4'-P energy: -140.369 bonds (distance) P-C4' energy: -156.231 flat angles C4'-P-C4' energy: -153.727 flat angles P-C4'-P energy: -95.847 tors. eta vs tors. theta energy: -168.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1936.739216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.739216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.739216 (E_RNA) where: Base-Base interactions energy: -1264.090 where: short stacking energy: -603.827 Base-Backbone interact. energy: -2.986 local terms energy: -669.662804 where: bonds (distance) C4'-P energy: -130.159 bonds (distance) P-C4' energy: -142.008 flat angles C4'-P-C4' energy: -153.714 flat angles P-C4'-P energy: -89.540 tors. eta vs tors. theta energy: -154.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1554.396462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.396462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.396462 (E_RNA) where: Base-Base interactions energy: -962.484 where: short stacking energy: -441.650 Base-Backbone interact. energy: -3.964 local terms energy: -587.949267 where: bonds (distance) C4'-P energy: -129.407 bonds (distance) P-C4' energy: -131.767 flat angles C4'-P-C4' energy: -149.976 flat angles P-C4'-P energy: -80.729 tors. eta vs tors. theta energy: -96.071 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: 8, replica: 3 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -1427.634822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.634822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.634822 (E_RNA) where: Base-Base interactions energy: -867.226 where: short stacking energy: -399.380 Base-Backbone interact. energy: -0.437 local terms energy: -559.971172 where: bonds (distance) C4'-P energy: -122.600 bonds (distance) P-C4' energy: -149.886 flat angles C4'-P-C4' energy: -117.160 flat angles P-C4'-P energy: -90.111 tors. eta vs tors. theta energy: -80.215 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: 7 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -816.178867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.178867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.178867 (E_RNA) where: Base-Base interactions energy: -350.703 where: short stacking energy: -244.228 Base-Backbone interact. energy: 4.170 local terms energy: -469.645324 where: bonds (distance) C4'-P energy: -142.962 bonds (distance) P-C4' energy: -151.387 flat angles C4'-P-C4' energy: -127.154 flat angles P-C4'-P energy: -54.168 tors. eta vs tors. theta energy: 6.025 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: 9 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -617.213164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.213164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.213164 (E_RNA) where: Base-Base interactions energy: -226.708 where: short stacking energy: -181.769 Base-Backbone interact. energy: 3.137 local terms energy: -393.641273 where: bonds (distance) C4'-P energy: -118.103 bonds (distance) P-C4' energy: -130.985 flat angles C4'-P-C4' energy: -118.970 flat angles P-C4'-P energy: -59.096 tors. eta vs tors. theta energy: 33.513 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: 1, replica: 2 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -2767.883719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.883719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.883719 (E_RNA) where: Base-Base interactions energy: -1918.345 where: short stacking energy: -812.078 Base-Backbone interact. energy: -4.773 local terms energy: -844.765810 where: bonds (distance) C4'-P energy: -157.840 bonds (distance) P-C4' energy: -133.435 flat angles C4'-P-C4' energy: -189.228 flat angles P-C4'-P energy: -130.512 tors. eta vs tors. theta energy: -233.751 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: 1 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -2594.584605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.584605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.584605 (E_RNA) where: Base-Base interactions energy: -1747.526 where: short stacking energy: -746.046 Base-Backbone interact. energy: -4.838 local terms energy: -842.220693 where: bonds (distance) C4'-P energy: -162.592 bonds (distance) P-C4' energy: -164.685 flat angles C4'-P-C4' energy: -184.640 flat angles P-C4'-P energy: -119.452 tors. eta vs tors. theta energy: -210.852 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: 3, replica: 8 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -2500.713558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.713558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.713558 (E_RNA) where: Base-Base interactions energy: -1699.815 where: short stacking energy: -699.682 Base-Backbone interact. energy: -2.168 local terms energy: -798.730530 where: bonds (distance) C4'-P energy: -145.674 bonds (distance) P-C4' energy: -162.933 flat angles C4'-P-C4' energy: -178.019 flat angles P-C4'-P energy: -112.462 tors. eta vs tors. theta energy: -199.643 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: 419 Temperature: 1.050000 Total energy: -2413.932572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.932572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.932572 (E_RNA) where: Base-Base interactions energy: -1623.769 where: short stacking energy: -693.555 Base-Backbone interact. energy: -2.392 local terms energy: -787.771152 where: bonds (distance) C4'-P energy: -152.033 bonds (distance) P-C4' energy: -140.890 flat angles C4'-P-C4' energy: -177.736 flat angles P-C4'-P energy: -109.323 tors. eta vs tors. theta energy: -207.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -2221.782735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.782735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.782735 (E_RNA) where: Base-Base interactions energy: -1538.720 where: short stacking energy: -668.512 Base-Backbone interact. energy: 0.035 local terms energy: -683.097883 where: bonds (distance) C4'-P energy: -132.388 bonds (distance) P-C4' energy: -115.289 flat angles C4'-P-C4' energy: -150.146 flat angles P-C4'-P energy: -104.940 tors. eta vs tors. theta energy: -180.335 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: 5 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -1877.300683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.300683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.300683 (E_RNA) where: Base-Base interactions energy: -1206.502 where: short stacking energy: -550.466 Base-Backbone interact. energy: -0.919 local terms energy: -669.879059 where: bonds (distance) C4'-P energy: -123.156 bonds (distance) P-C4' energy: -149.650 flat angles C4'-P-C4' energy: -155.739 flat angles P-C4'-P energy: -87.646 tors. eta vs tors. theta energy: -153.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1542.641541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.641541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.641541 (E_RNA) where: Base-Base interactions energy: -938.176 where: short stacking energy: -448.950 Base-Backbone interact. energy: -0.930 local terms energy: -603.535105 where: bonds (distance) C4'-P energy: -136.923 bonds (distance) P-C4' energy: -136.018 flat angles C4'-P-C4' energy: -145.123 flat angles P-C4'-P energy: -81.231 tors. eta vs tors. theta energy: -104.240 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: 8, replica: 3 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -1396.068814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.068814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.068814 (E_RNA) where: Base-Base interactions energy: -816.500 where: short stacking energy: -377.355 Base-Backbone interact. energy: -1.232 local terms energy: -578.336978 where: bonds (distance) C4'-P energy: -124.262 bonds (distance) P-C4' energy: -146.415 flat angles C4'-P-C4' energy: -130.317 flat angles P-C4'-P energy: -83.289 tors. eta vs tors. theta energy: -94.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -793.209971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.209971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.209971 (E_RNA) where: Base-Base interactions energy: -333.676 where: short stacking energy: -220.758 Base-Backbone interact. energy: 9.134 local terms energy: -468.667942 where: bonds (distance) C4'-P energy: -128.768 bonds (distance) P-C4' energy: -149.442 flat angles C4'-P-C4' energy: -135.597 flat angles P-C4'-P energy: -62.104 tors. eta vs tors. theta energy: 7.244 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: 9 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -634.471338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.471338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.471338 (E_RNA) where: Base-Base interactions energy: -255.895 where: short stacking energy: -206.346 Base-Backbone interact. energy: 6.563 local terms energy: -385.138622 where: bonds (distance) C4'-P energy: -103.710 bonds (distance) P-C4' energy: -135.135 flat angles C4'-P-C4' energy: -113.431 flat angles P-C4'-P energy: -49.596 tors. eta vs tors. theta energy: 16.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -2770.572507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.572507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.572507 (E_RNA) where: Base-Base interactions energy: -1934.475 where: short stacking energy: -808.182 Base-Backbone interact. energy: -3.257 local terms energy: -832.840265 where: bonds (distance) C4'-P energy: -157.654 bonds (distance) P-C4' energy: -142.530 flat angles C4'-P-C4' energy: -180.049 flat angles P-C4'-P energy: -122.748 tors. eta vs tors. theta energy: -229.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -2619.267797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.267797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.267797 (E_RNA) where: Base-Base interactions energy: -1760.371 where: short stacking energy: -741.748 Base-Backbone interact. energy: -4.923 local terms energy: -853.973696 where: bonds (distance) C4'-P energy: -173.297 bonds (distance) P-C4' energy: -167.771 flat angles C4'-P-C4' energy: -184.429 flat angles P-C4'-P energy: -102.370 tors. eta vs tors. theta energy: -226.105 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: 3, replica: 8 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -2544.141560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.141560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.141560 (E_RNA) where: Base-Base interactions energy: -1721.518 where: short stacking energy: -713.834 Base-Backbone interact. energy: 5.205 local terms energy: -827.828777 where: bonds (distance) C4'-P energy: -156.921 bonds (distance) P-C4' energy: -159.740 flat angles C4'-P-C4' energy: -181.936 flat angles P-C4'-P energy: -111.720 tors. eta vs tors. theta energy: -217.512 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: 4 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -2363.921864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.921864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.921864 (E_RNA) where: Base-Base interactions energy: -1609.518 where: short stacking energy: -689.921 Base-Backbone interact. energy: 6.876 local terms energy: -761.280130 where: bonds (distance) C4'-P energy: -152.038 bonds (distance) P-C4' energy: -144.600 flat angles C4'-P-C4' energy: -172.121 flat angles P-C4'-P energy: -105.368 tors. eta vs tors. theta energy: -187.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -2227.730860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.730860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.730860 (E_RNA) where: Base-Base interactions energy: -1550.807 where: short stacking energy: -675.799 Base-Backbone interact. energy: 1.275 local terms energy: -678.198843 where: bonds (distance) C4'-P energy: -121.351 bonds (distance) P-C4' energy: -128.445 flat angles C4'-P-C4' energy: -160.939 flat angles P-C4'-P energy: -89.913 tors. eta vs tors. theta energy: -177.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -1901.534862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.534862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.534862 (E_RNA) where: Base-Base interactions energy: -1238.862 where: short stacking energy: -561.359 Base-Backbone interact. energy: 6.657 local terms energy: -669.329605 where: bonds (distance) C4'-P energy: -145.104 bonds (distance) P-C4' energy: -139.000 flat angles C4'-P-C4' energy: -149.591 flat angles P-C4'-P energy: -92.247 tors. eta vs tors. theta energy: -143.389 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: 7, replica: 10 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1521.815944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.815944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.815944 (E_RNA) where: Base-Base interactions energy: -922.601 where: short stacking energy: -454.604 Base-Backbone interact. energy: -1.888 local terms energy: -597.326800 where: bonds (distance) C4'-P energy: -139.536 bonds (distance) P-C4' energy: -126.769 flat angles C4'-P-C4' energy: -143.130 flat angles P-C4'-P energy: -87.475 tors. eta vs tors. theta energy: -100.416 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: 3 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1377.178833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.178833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.178833 (E_RNA) where: Base-Base interactions energy: -865.125 where: short stacking energy: -409.626 Base-Backbone interact. energy: 3.256 local terms energy: -515.310439 where: bonds (distance) C4'-P energy: -129.783 bonds (distance) P-C4' energy: -136.589 flat angles C4'-P-C4' energy: -122.617 flat angles P-C4'-P energy: -69.712 tors. eta vs tors. theta energy: -56.610 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: 9, replica: 7 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -857.026277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.026277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.026277 (E_RNA) where: Base-Base interactions energy: -362.944 where: short stacking energy: -240.712 Base-Backbone interact. energy: -1.724 local terms energy: -492.358425 where: bonds (distance) C4'-P energy: -153.894 bonds (distance) P-C4' energy: -133.927 flat angles C4'-P-C4' energy: -106.303 flat angles P-C4'-P energy: -84.891 tors. eta vs tors. theta energy: -13.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -673.678223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.678223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.678223 (E_RNA) where: Base-Base interactions energy: -268.613 where: short stacking energy: -181.405 Base-Backbone interact. energy: 0.299 local terms energy: -405.364052 where: bonds (distance) C4'-P energy: -132.103 bonds (distance) P-C4' energy: -125.181 flat angles C4'-P-C4' energy: -113.173 flat angles P-C4'-P energy: -61.305 tors. eta vs tors. theta energy: 26.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -2770.973252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.973252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.973252 (E_RNA) where: Base-Base interactions energy: -1926.252 where: short stacking energy: -806.023 Base-Backbone interact. energy: 0.175 local terms energy: -844.896359 where: bonds (distance) C4'-P energy: -146.475 bonds (distance) P-C4' energy: -170.987 flat angles C4'-P-C4' energy: -177.645 flat angles P-C4'-P energy: -123.154 tors. eta vs tors. theta energy: -226.635 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: 2, replica: 1 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -2601.390819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.390819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.390819 (E_RNA) where: Base-Base interactions energy: -1758.581 where: short stacking energy: -762.275 Base-Backbone interact. energy: 0.048 local terms energy: -842.857481 where: bonds (distance) C4'-P energy: -137.422 bonds (distance) P-C4' energy: -173.032 flat angles C4'-P-C4' energy: -183.285 flat angles P-C4'-P energy: -115.799 tors. eta vs tors. theta energy: -233.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -2547.308252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.308252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.308252 (E_RNA) where: Base-Base interactions energy: -1744.102 where: short stacking energy: -720.430 Base-Backbone interact. energy: -0.201 local terms energy: -803.005052 where: bonds (distance) C4'-P energy: -166.226 bonds (distance) P-C4' energy: -149.155 flat angles C4'-P-C4' energy: -177.287 flat angles P-C4'-P energy: -108.702 tors. eta vs tors. theta energy: -201.635 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: 4 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -2356.231480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.231480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.231480 (E_RNA) where: Base-Base interactions energy: -1591.010 where: short stacking energy: -698.366 Base-Backbone interact. energy: 5.193 local terms energy: -770.414396 where: bonds (distance) C4'-P energy: -139.872 bonds (distance) P-C4' energy: -158.219 flat angles C4'-P-C4' energy: -176.333 flat angles P-C4'-P energy: -110.310 tors. eta vs tors. theta energy: -185.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -2235.538112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.538112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.538112 (E_RNA) where: Base-Base interactions energy: -1506.123 where: short stacking energy: -639.916 Base-Backbone interact. energy: -1.990 local terms energy: -727.424848 where: bonds (distance) C4'-P energy: -121.067 bonds (distance) P-C4' energy: -146.787 flat angles C4'-P-C4' energy: -178.430 flat angles P-C4'-P energy: -103.859 tors. eta vs tors. theta energy: -177.282 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: 5 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -1898.480732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.480732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.480732 (E_RNA) where: Base-Base interactions energy: -1236.116 where: short stacking energy: -549.588 Base-Backbone interact. energy: -2.413 local terms energy: -659.951851 where: bonds (distance) C4'-P energy: -138.357 bonds (distance) P-C4' energy: -135.447 flat angles C4'-P-C4' energy: -165.902 flat angles P-C4'-P energy: -88.547 tors. eta vs tors. theta energy: -131.698 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: 10 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1548.844684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.844684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.844684 (E_RNA) where: Base-Base interactions energy: -976.475 where: short stacking energy: -454.689 Base-Backbone interact. energy: -0.693 local terms energy: -571.676885 where: bonds (distance) C4'-P energy: -129.507 bonds (distance) P-C4' energy: -132.348 flat angles C4'-P-C4' energy: -155.545 flat angles P-C4'-P energy: -69.050 tors. eta vs tors. theta energy: -85.228 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: 3 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1405.545316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.545316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.545316 (E_RNA) where: Base-Base interactions energy: -860.249 where: short stacking energy: -397.165 Base-Backbone interact. energy: -0.127 local terms energy: -545.169098 where: bonds (distance) C4'-P energy: -127.690 bonds (distance) P-C4' energy: -131.795 flat angles C4'-P-C4' energy: -133.007 flat angles P-C4'-P energy: -87.938 tors. eta vs tors. theta energy: -64.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -813.673030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.673030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.673030 (E_RNA) where: Base-Base interactions energy: -360.499 where: short stacking energy: -249.914 Base-Backbone interact. energy: -3.284 local terms energy: -449.890162 where: bonds (distance) C4'-P energy: -130.465 bonds (distance) P-C4' energy: -131.572 flat angles C4'-P-C4' energy: -129.593 flat angles P-C4'-P energy: -56.931 tors. eta vs tors. theta energy: -1.329 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: 9 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -695.199890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.199890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.199890 (E_RNA) where: Base-Base interactions energy: -280.686 where: short stacking energy: -165.517 Base-Backbone interact. energy: 5.518 local terms energy: -420.031449 where: bonds (distance) C4'-P energy: -143.409 bonds (distance) P-C4' energy: -116.004 flat angles C4'-P-C4' energy: -122.769 flat angles P-C4'-P energy: -68.850 tors. eta vs tors. theta energy: 31.001 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: 1, replica: 2 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -2781.259282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.259282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.259282 (E_RNA) where: Base-Base interactions energy: -1938.007 where: short stacking energy: -810.776 Base-Backbone interact. energy: -5.166 local terms energy: -838.086280 where: bonds (distance) C4'-P energy: -154.693 bonds (distance) P-C4' energy: -157.854 flat angles C4'-P-C4' energy: -177.397 flat angles P-C4'-P energy: -114.683 tors. eta vs tors. theta energy: -233.460 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: 1 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -2634.686871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.686871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.686871 (E_RNA) where: Base-Base interactions energy: -1788.732 where: short stacking energy: -759.851 Base-Backbone interact. energy: 0.735 local terms energy: -846.690308 where: bonds (distance) C4'-P energy: -157.784 bonds (distance) P-C4' energy: -160.599 flat angles C4'-P-C4' energy: -188.791 flat angles P-C4'-P energy: -119.451 tors. eta vs tors. theta energy: -220.066 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: 8 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -2622.955285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.955285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.955285 (E_RNA) where: Base-Base interactions energy: -1833.139 where: short stacking energy: -762.013 Base-Backbone interact. energy: 4.676 local terms energy: -794.492187 where: bonds (distance) C4'-P energy: -139.282 bonds (distance) P-C4' energy: -152.959 flat angles C4'-P-C4' energy: -168.723 flat angles P-C4'-P energy: -104.518 tors. eta vs tors. theta energy: -229.011 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: 4 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -2390.609131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.609131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.609131 (E_RNA) where: Base-Base interactions energy: -1611.006 where: short stacking energy: -717.116 Base-Backbone interact. energy: -3.480 local terms energy: -776.123117 where: bonds (distance) C4'-P energy: -145.255 bonds (distance) P-C4' energy: -154.497 flat angles C4'-P-C4' energy: -170.275 flat angles P-C4'-P energy: -116.094 tors. eta vs tors. theta energy: -190.003 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: 6 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -2288.431672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.431672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.431672 (E_RNA) where: Base-Base interactions energy: -1577.380 where: short stacking energy: -697.157 Base-Backbone interact. energy: -3.368 local terms energy: -707.683812 where: bonds (distance) C4'-P energy: -132.425 bonds (distance) P-C4' energy: -143.667 flat angles C4'-P-C4' energy: -153.329 flat angles P-C4'-P energy: -94.027 tors. eta vs tors. theta energy: -184.235 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: 6, replica: 5 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -1925.290851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.290851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.290851 (E_RNA) where: Base-Base interactions energy: -1263.815 where: short stacking energy: -553.181 Base-Backbone interact. energy: 3.452 local terms energy: -664.927321 where: bonds (distance) C4'-P energy: -134.347 bonds (distance) P-C4' energy: -140.994 flat angles C4'-P-C4' energy: -151.227 flat angles P-C4'-P energy: -87.365 tors. eta vs tors. theta energy: -150.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1653.848508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.848508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.848508 (E_RNA) where: Base-Base interactions energy: -1006.627 where: short stacking energy: -463.660 Base-Backbone interact. energy: -2.410 local terms energy: -644.811145 where: bonds (distance) C4'-P energy: -142.278 bonds (distance) P-C4' energy: -149.316 flat angles C4'-P-C4' energy: -146.609 flat angles P-C4'-P energy: -92.545 tors. eta vs tors. theta energy: -114.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1421.702938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.702938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.702938 (E_RNA) where: Base-Base interactions energy: -877.900 where: short stacking energy: -414.335 Base-Backbone interact. energy: -1.014 local terms energy: -542.789262 where: bonds (distance) C4'-P energy: -140.662 bonds (distance) P-C4' energy: -126.153 flat angles C4'-P-C4' energy: -121.923 flat angles P-C4'-P energy: -71.729 tors. eta vs tors. theta energy: -82.322 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: 9, replica: 9 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -789.416528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.416528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.416528 (E_RNA) where: Base-Base interactions energy: -341.592 where: short stacking energy: -222.645 Base-Backbone interact. energy: -0.692 local terms energy: -447.132297 where: bonds (distance) C4'-P energy: -146.996 bonds (distance) P-C4' energy: -124.999 flat angles C4'-P-C4' energy: -117.012 flat angles P-C4'-P energy: -75.390 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: 7 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -779.456979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.456979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.456979 (E_RNA) where: Base-Base interactions energy: -367.442 where: short stacking energy: -213.554 Base-Backbone interact. energy: 7.250 local terms energy: -419.265072 where: bonds (distance) C4'-P energy: -124.856 bonds (distance) P-C4' energy: -144.788 flat angles C4'-P-C4' energy: -95.809 flat angles P-C4'-P energy: -57.527 tors. eta vs tors. theta energy: 3.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -2802.676099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.676099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.676099 (E_RNA) where: Base-Base interactions energy: -1929.742 where: short stacking energy: -805.599 Base-Backbone interact. energy: -3.202 local terms energy: -869.732057 where: bonds (distance) C4'-P energy: -162.902 bonds (distance) P-C4' energy: -166.466 flat angles C4'-P-C4' energy: -175.686 flat angles P-C4'-P energy: -129.054 tors. eta vs tors. theta energy: -235.625 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: 8 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -2631.374510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.374510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.374510 (E_RNA) where: Base-Base interactions energy: -1807.384 where: short stacking energy: -759.176 Base-Backbone interact. energy: -1.326 local terms energy: -822.664781 where: bonds (distance) C4'-P energy: -139.838 bonds (distance) P-C4' energy: -161.629 flat angles C4'-P-C4' energy: -179.550 flat angles P-C4'-P energy: -117.772 tors. eta vs tors. theta energy: -223.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -2510.174465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.174465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.174465 (E_RNA) where: Base-Base interactions energy: -1696.285 where: short stacking energy: -737.452 Base-Backbone interact. energy: -0.614 local terms energy: -813.274628 where: bonds (distance) C4'-P energy: -149.962 bonds (distance) P-C4' energy: -156.361 flat angles C4'-P-C4' energy: -181.494 flat angles P-C4'-P energy: -109.746 tors. eta vs tors. theta energy: -215.711 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: 4 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -2369.706103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.706103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.706103 (E_RNA) where: Base-Base interactions energy: -1610.761 where: short stacking energy: -666.538 Base-Backbone interact. energy: -7.276 local terms energy: -751.669030 where: bonds (distance) C4'-P energy: -161.090 bonds (distance) P-C4' energy: -125.133 flat angles C4'-P-C4' energy: -159.724 flat angles P-C4'-P energy: -112.019 tors. eta vs tors. theta energy: -193.704 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: 5, replica: 6 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -2209.479571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.479571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.479571 (E_RNA) where: Base-Base interactions energy: -1464.365 where: short stacking energy: -639.071 Base-Backbone interact. energy: -1.615 local terms energy: -743.500282 where: bonds (distance) C4'-P energy: -130.271 bonds (distance) P-C4' energy: -160.069 flat angles C4'-P-C4' energy: -167.911 flat angles P-C4'-P energy: -119.182 tors. eta vs tors. theta energy: -166.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -1912.606344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.606344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.606344 (E_RNA) where: Base-Base interactions energy: -1260.053 where: short stacking energy: -592.533 Base-Backbone interact. energy: -1.606 local terms energy: -650.946655 where: bonds (distance) C4'-P energy: -136.301 bonds (distance) P-C4' energy: -129.604 flat angles C4'-P-C4' energy: -142.971 flat angles P-C4'-P energy: -80.774 tors. eta vs tors. theta energy: -161.296 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: 7, replica: 10 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1604.509094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.509094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.509094 (E_RNA) where: Base-Base interactions energy: -1005.579 where: short stacking energy: -455.382 Base-Backbone interact. energy: 1.751 local terms energy: -600.680380 where: bonds (distance) C4'-P energy: -128.742 bonds (distance) P-C4' energy: -153.593 flat angles C4'-P-C4' energy: -137.392 flat angles P-C4'-P energy: -80.711 tors. eta vs tors. theta energy: -100.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -1469.320507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.320507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.320507 (E_RNA) where: Base-Base interactions energy: -904.016 where: short stacking energy: -438.483 Base-Backbone interact. energy: -0.900 local terms energy: -564.403854 where: bonds (distance) C4'-P energy: -134.692 bonds (distance) P-C4' energy: -139.099 flat angles C4'-P-C4' energy: -124.151 flat angles P-C4'-P energy: -83.468 tors. eta vs tors. theta energy: -82.994 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: 9 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -739.334576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.334576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.334576 (E_RNA) where: Base-Base interactions energy: -327.776 where: short stacking energy: -200.533 Base-Backbone interact. energy: -4.284 local terms energy: -407.274147 where: bonds (distance) C4'-P energy: -144.095 bonds (distance) P-C4' energy: -124.931 flat angles C4'-P-C4' energy: -98.744 flat angles P-C4'-P energy: -55.831 tors. eta vs tors. theta energy: 16.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -732.747098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.747098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.747098 (E_RNA) where: Base-Base interactions energy: -316.895 where: short stacking energy: -201.045 Base-Backbone interact. energy: 1.051 local terms energy: -416.903595 where: bonds (distance) C4'-P energy: -126.158 bonds (distance) P-C4' energy: -163.042 flat angles C4'-P-C4' energy: -109.715 flat angles P-C4'-P energy: -42.288 tors. eta vs tors. theta energy: 24.299 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: 2 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -2795.394073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.394073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.394073 (E_RNA) where: Base-Base interactions energy: -1933.662 where: short stacking energy: -793.195 Base-Backbone interact. energy: -4.300 local terms energy: -857.431214 where: bonds (distance) C4'-P energy: -152.053 bonds (distance) P-C4' energy: -166.104 flat angles C4'-P-C4' energy: -182.331 flat angles P-C4'-P energy: -128.138 tors. eta vs tors. theta energy: -228.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -2607.815371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.815371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.815371 (E_RNA) where: Base-Base interactions energy: -1751.608 where: short stacking energy: -738.955 Base-Backbone interact. energy: -1.132 local terms energy: -855.075229 where: bonds (distance) C4'-P energy: -171.736 bonds (distance) P-C4' energy: -155.622 flat angles C4'-P-C4' energy: -181.194 flat angles P-C4'-P energy: -127.752 tors. eta vs tors. theta energy: -218.771 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: 3, replica: 1 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -2499.475161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.475161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.475161 (E_RNA) where: Base-Base interactions energy: -1698.535 where: short stacking energy: -694.833 Base-Backbone interact. energy: -5.510 local terms energy: -795.430440 where: bonds (distance) C4'-P energy: -158.768 bonds (distance) P-C4' energy: -141.519 flat angles C4'-P-C4' energy: -175.848 flat angles P-C4'-P energy: -96.125 tors. eta vs tors. theta energy: -223.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -2373.421930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.421930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.421930 (E_RNA) where: Base-Base interactions energy: -1620.447 where: short stacking energy: -711.126 Base-Backbone interact. energy: -1.901 local terms energy: -751.073795 where: bonds (distance) C4'-P energy: -135.591 bonds (distance) P-C4' energy: -139.359 flat angles C4'-P-C4' energy: -164.878 flat angles P-C4'-P energy: -113.867 tors. eta vs tors. theta energy: -197.378 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: 5, replica: 6 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -2173.147093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.147093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.147093 (E_RNA) where: Base-Base interactions energy: -1449.128 where: short stacking energy: -633.884 Base-Backbone interact. energy: 3.416 local terms energy: -727.434736 where: bonds (distance) C4'-P energy: -133.248 bonds (distance) P-C4' energy: -163.895 flat angles C4'-P-C4' energy: -158.439 flat angles P-C4'-P energy: -97.182 tors. eta vs tors. theta energy: -174.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -1916.246591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.246591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.246591 (E_RNA) where: Base-Base interactions energy: -1224.085 where: short stacking energy: -574.778 Base-Backbone interact. energy: -2.666 local terms energy: -689.495313 where: bonds (distance) C4'-P energy: -138.025 bonds (distance) P-C4' energy: -137.648 flat angles C4'-P-C4' energy: -154.386 flat angles P-C4'-P energy: -110.405 tors. eta vs tors. theta energy: -149.031 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: 10 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1635.606993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.606993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.606993 (E_RNA) where: Base-Base interactions energy: -1032.795 where: short stacking energy: -472.930 Base-Backbone interact. energy: -3.942 local terms energy: -598.869342 where: bonds (distance) C4'-P energy: -133.255 bonds (distance) P-C4' energy: -142.724 flat angles C4'-P-C4' energy: -130.019 flat angles P-C4'-P energy: -88.645 tors. eta vs tors. theta energy: -104.227 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: 3 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1437.229547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.229547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.229547 (E_RNA) where: Base-Base interactions energy: -889.958 where: short stacking energy: -438.907 Base-Backbone interact. energy: -0.986 local terms energy: -546.286166 where: bonds (distance) C4'-P energy: -132.129 bonds (distance) P-C4' energy: -129.950 flat angles C4'-P-C4' energy: -99.362 flat angles P-C4'-P energy: -85.159 tors. eta vs tors. theta energy: -99.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -828.728585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.728585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.728585 (E_RNA) where: Base-Base interactions energy: -356.255 where: short stacking energy: -226.963 Base-Backbone interact. energy: 3.418 local terms energy: -475.891847 where: bonds (distance) C4'-P energy: -134.803 bonds (distance) P-C4' energy: -143.418 flat angles C4'-P-C4' energy: -103.345 flat angles P-C4'-P energy: -80.053 tors. eta vs tors. theta energy: -14.272 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: 7 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -725.486800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.486800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.486800 (E_RNA) where: Base-Base interactions energy: -308.081 where: short stacking energy: -201.012 Base-Backbone interact. energy: -0.733 local terms energy: -416.672876 where: bonds (distance) C4'-P energy: -121.468 bonds (distance) P-C4' energy: -141.631 flat angles C4'-P-C4' energy: -115.355 flat angles P-C4'-P energy: -69.797 tors. eta vs tors. theta energy: 31.577 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: 1, replica: 2 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -2765.340249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.340249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.340249 (E_RNA) where: Base-Base interactions energy: -1929.206 where: short stacking energy: -798.124 Base-Backbone interact. energy: -3.984 local terms energy: -832.150815 where: bonds (distance) C4'-P energy: -153.082 bonds (distance) P-C4' energy: -158.442 flat angles C4'-P-C4' energy: -175.982 flat angles P-C4'-P energy: -114.117 tors. eta vs tors. theta energy: -230.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -2606.394484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.394484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.394484 (E_RNA) where: Base-Base interactions energy: -1785.522 where: short stacking energy: -757.311 Base-Backbone interact. energy: -0.105 local terms energy: -820.768036 where: bonds (distance) C4'-P energy: -138.953 bonds (distance) P-C4' energy: -157.878 flat angles C4'-P-C4' energy: -180.091 flat angles P-C4'-P energy: -124.207 tors. eta vs tors. theta energy: -219.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -2535.520063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.520063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.520063 (E_RNA) where: Base-Base interactions energy: -1709.735 where: short stacking energy: -724.871 Base-Backbone interact. energy: -4.762 local terms energy: -821.023228 where: bonds (distance) C4'-P energy: -157.089 bonds (distance) P-C4' energy: -161.128 flat angles C4'-P-C4' energy: -180.420 flat angles P-C4'-P energy: -109.616 tors. eta vs tors. theta energy: -212.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -2380.543271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.543271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.543271 (E_RNA) where: Base-Base interactions energy: -1585.312 where: short stacking energy: -669.526 Base-Backbone interact. energy: 0.712 local terms energy: -795.943217 where: bonds (distance) C4'-P energy: -149.240 bonds (distance) P-C4' energy: -158.085 flat angles C4'-P-C4' energy: -170.105 flat angles P-C4'-P energy: -122.343 tors. eta vs tors. theta energy: -196.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -2235.218571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.218571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.218571 (E_RNA) where: Base-Base interactions energy: -1485.524 where: short stacking energy: -673.610 Base-Backbone interact. energy: -5.362 local terms energy: -744.331963 where: bonds (distance) C4'-P energy: -153.280 bonds (distance) P-C4' energy: -136.492 flat angles C4'-P-C4' energy: -159.709 flat angles P-C4'-P energy: -95.530 tors. eta vs tors. theta energy: -199.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -1916.628231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.628231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.628231 (E_RNA) where: Base-Base interactions energy: -1252.677 where: short stacking energy: -577.632 Base-Backbone interact. energy: -1.047 local terms energy: -662.904453 where: bonds (distance) C4'-P energy: -133.752 bonds (distance) P-C4' energy: -142.641 flat angles C4'-P-C4' energy: -161.584 flat angles P-C4'-P energy: -76.655 tors. eta vs tors. theta energy: -148.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1647.910574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.910574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.910574 (E_RNA) where: Base-Base interactions energy: -1017.976 where: short stacking energy: -475.513 Base-Backbone interact. energy: -2.406 local terms energy: -627.528467 where: bonds (distance) C4'-P energy: -122.168 bonds (distance) P-C4' energy: -141.734 flat angles C4'-P-C4' energy: -143.723 flat angles P-C4'-P energy: -103.296 tors. eta vs tors. theta energy: -116.607 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: 8, replica: 3 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1407.398604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.398604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.398604 (E_RNA) where: Base-Base interactions energy: -885.778 where: short stacking energy: -400.731 Base-Backbone interact. energy: 0.915 local terms energy: -522.535564 where: bonds (distance) C4'-P energy: -122.420 bonds (distance) P-C4' energy: -132.349 flat angles C4'-P-C4' energy: -117.978 flat angles P-C4'-P energy: -92.354 tors. eta vs tors. theta energy: -57.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -812.262604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.262604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.262604 (E_RNA) where: Base-Base interactions energy: -372.026 where: short stacking energy: -229.740 Base-Backbone interact. energy: -0.940 local terms energy: -439.297033 where: bonds (distance) C4'-P energy: -145.996 bonds (distance) P-C4' energy: -139.058 flat angles C4'-P-C4' energy: -83.965 flat angles P-C4'-P energy: -87.751 tors. eta vs tors. theta energy: 17.474 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: 10, replica: 7 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -716.249474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.249474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.249474 (E_RNA) where: Base-Base interactions energy: -307.546 where: short stacking energy: -192.206 Base-Backbone interact. energy: 0.056 local terms energy: -408.759940 where: bonds (distance) C4'-P energy: -125.252 bonds (distance) P-C4' energy: -128.694 flat angles C4'-P-C4' energy: -110.510 flat angles P-C4'-P energy: -56.276 tors. eta vs tors. theta energy: 11.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -2793.328609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.328609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.328609 (E_RNA) where: Base-Base interactions energy: -1949.516 where: short stacking energy: -805.720 Base-Backbone interact. energy: 8.560 local terms energy: -852.372608 where: bonds (distance) C4'-P energy: -153.907 bonds (distance) P-C4' energy: -170.769 flat angles C4'-P-C4' energy: -172.099 flat angles P-C4'-P energy: -117.317 tors. eta vs tors. theta energy: -238.282 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: 2, replica: 8 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -2557.981568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.981568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.981568 (E_RNA) where: Base-Base interactions energy: -1742.778 where: short stacking energy: -747.852 Base-Backbone interact. energy: -3.583 local terms energy: -811.620440 where: bonds (distance) C4'-P energy: -149.740 bonds (distance) P-C4' energy: -146.369 flat angles C4'-P-C4' energy: -182.888 flat angles P-C4'-P energy: -130.289 tors. eta vs tors. theta energy: -202.334 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: 3, replica: 1 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -2555.658198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.658198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.658198 (E_RNA) where: Base-Base interactions energy: -1744.923 where: short stacking energy: -749.287 Base-Backbone interact. energy: -2.683 local terms energy: -808.051815 where: bonds (distance) C4'-P energy: -146.595 bonds (distance) P-C4' energy: -153.976 flat angles C4'-P-C4' energy: -172.234 flat angles P-C4'-P energy: -109.975 tors. eta vs tors. theta energy: -225.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -2399.171150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.171150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.171150 (E_RNA) where: Base-Base interactions energy: -1647.430 where: short stacking energy: -694.675 Base-Backbone interact. energy: -3.630 local terms energy: -748.112065 where: bonds (distance) C4'-P energy: -147.453 bonds (distance) P-C4' energy: -153.022 flat angles C4'-P-C4' energy: -160.027 flat angles P-C4'-P energy: -107.252 tors. eta vs tors. theta energy: -180.357 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: 6 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -2202.308200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.308200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.308200 (E_RNA) where: Base-Base interactions energy: -1473.798 where: short stacking energy: -619.967 Base-Backbone interact. energy: -1.409 local terms energy: -727.100763 where: bonds (distance) C4'-P energy: -132.893 bonds (distance) P-C4' energy: -158.969 flat angles C4'-P-C4' energy: -169.712 flat angles P-C4'-P energy: -94.239 tors. eta vs tors. theta energy: -171.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -1889.704140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.704140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.704140 (E_RNA) where: Base-Base interactions energy: -1234.390 where: short stacking energy: -557.844 Base-Backbone interact. energy: -1.004 local terms energy: -654.309819 where: bonds (distance) C4'-P energy: -133.263 bonds (distance) P-C4' energy: -131.530 flat angles C4'-P-C4' energy: -149.991 flat angles P-C4'-P energy: -86.116 tors. eta vs tors. theta energy: -153.410 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: 10 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1605.646038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.646038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.646038 (E_RNA) where: Base-Base interactions energy: -996.267 where: short stacking energy: -507.212 Base-Backbone interact. energy: 1.811 local terms energy: -611.189720 where: bonds (distance) C4'-P energy: -129.796 bonds (distance) P-C4' energy: -136.654 flat angles C4'-P-C4' energy: -144.014 flat angles P-C4'-P energy: -80.970 tors. eta vs tors. theta energy: -119.755 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: 3 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -1424.714781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.714781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.714781 (E_RNA) where: Base-Base interactions energy: -846.881 where: short stacking energy: -395.715 Base-Backbone interact. energy: -0.832 local terms energy: -577.002025 where: bonds (distance) C4'-P energy: -108.974 bonds (distance) P-C4' energy: -153.828 flat angles C4'-P-C4' energy: -139.422 flat angles P-C4'-P energy: -81.654 tors. eta vs tors. theta energy: -93.125 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: 9 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -825.877026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.877026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.877026 (E_RNA) where: Base-Base interactions energy: -393.588 where: short stacking energy: -261.352 Base-Backbone interact. energy: -3.178 local terms energy: -429.111081 where: bonds (distance) C4'-P energy: -143.148 bonds (distance) P-C4' energy: -104.627 flat angles C4'-P-C4' energy: -109.954 flat angles P-C4'-P energy: -70.683 tors. eta vs tors. theta energy: -0.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -740.212714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.212714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.212714 (E_RNA) where: Base-Base interactions energy: -347.079 where: short stacking energy: -185.518 Base-Backbone interact. energy: 3.973 local terms energy: -397.106823 where: bonds (distance) C4'-P energy: -128.013 bonds (distance) P-C4' energy: -125.233 flat angles C4'-P-C4' energy: -100.585 flat angles P-C4'-P energy: -59.907 tors. eta vs tors. theta energy: 16.632 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: 2 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -2757.733318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.733318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.733318 (E_RNA) where: Base-Base interactions energy: -1919.677 where: short stacking energy: -789.933 Base-Backbone interact. energy: 1.590 local terms energy: -839.645710 where: bonds (distance) C4'-P energy: -140.281 bonds (distance) P-C4' energy: -164.702 flat angles C4'-P-C4' energy: -179.848 flat angles P-C4'-P energy: -120.117 tors. eta vs tors. theta energy: -234.698 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: 8 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -2582.541200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.541200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.541200 (E_RNA) where: Base-Base interactions energy: -1795.113 where: short stacking energy: -752.326 Base-Backbone interact. energy: -3.088 local terms energy: -784.339469 where: bonds (distance) C4'-P energy: -129.256 bonds (distance) P-C4' energy: -163.596 flat angles C4'-P-C4' energy: -179.790 flat angles P-C4'-P energy: -115.654 tors. eta vs tors. theta energy: -196.045 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: 3, replica: 1 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -2555.605010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.605010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.605010 (E_RNA) where: Base-Base interactions energy: -1747.643 where: short stacking energy: -735.794 Base-Backbone interact. energy: -3.124 local terms energy: -804.838116 where: bonds (distance) C4'-P energy: -156.315 bonds (distance) P-C4' energy: -152.731 flat angles C4'-P-C4' energy: -167.932 flat angles P-C4'-P energy: -113.122 tors. eta vs tors. theta energy: -214.738 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: 4, replica: 4 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -2465.777951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.777951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.777951 (E_RNA) where: Base-Base interactions energy: -1674.874 where: short stacking energy: -708.816 Base-Backbone interact. energy: -4.346 local terms energy: -786.558308 where: bonds (distance) C4'-P energy: -147.573 bonds (distance) P-C4' energy: -163.324 flat angles C4'-P-C4' energy: -169.645 flat angles P-C4'-P energy: -110.128 tors. eta vs tors. theta energy: -195.889 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: 6 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -2179.791789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.791789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.791789 (E_RNA) where: Base-Base interactions energy: -1468.543 where: short stacking energy: -637.786 Base-Backbone interact. energy: -4.701 local terms energy: -706.547370 where: bonds (distance) C4'-P energy: -151.816 bonds (distance) P-C4' energy: -152.365 flat angles C4'-P-C4' energy: -154.634 flat angles P-C4'-P energy: -82.767 tors. eta vs tors. theta energy: -164.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -1897.476342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.476342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.476342 (E_RNA) where: Base-Base interactions energy: -1240.444 where: short stacking energy: -562.458 Base-Backbone interact. energy: 3.301 local terms energy: -660.333670 where: bonds (distance) C4'-P energy: -122.049 bonds (distance) P-C4' energy: -151.640 flat angles C4'-P-C4' energy: -163.541 flat angles P-C4'-P energy: -95.246 tors. eta vs tors. theta energy: -127.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1673.200382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.200382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.200382 (E_RNA) where: Base-Base interactions energy: -1023.019 where: short stacking energy: -489.609 Base-Backbone interact. energy: -0.671 local terms energy: -649.511119 where: bonds (distance) C4'-P energy: -127.837 bonds (distance) P-C4' energy: -138.378 flat angles C4'-P-C4' energy: -167.654 flat angles P-C4'-P energy: -97.585 tors. eta vs tors. theta energy: -118.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -1327.266846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.266846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.266846 (E_RNA) where: Base-Base interactions energy: -801.350 where: short stacking energy: -373.591 Base-Backbone interact. energy: -1.027 local terms energy: -524.889183 where: bonds (distance) C4'-P energy: -120.355 bonds (distance) P-C4' energy: -129.411 flat angles C4'-P-C4' energy: -127.849 flat angles P-C4'-P energy: -88.950 tors. eta vs tors. theta energy: -58.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -863.953613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.953613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.953613 (E_RNA) where: Base-Base interactions energy: -416.195 where: short stacking energy: -263.763 Base-Backbone interact. energy: 0.885 local terms energy: -448.642746 where: bonds (distance) C4'-P energy: -134.173 bonds (distance) P-C4' energy: -94.744 flat angles C4'-P-C4' energy: -141.479 flat angles P-C4'-P energy: -64.285 tors. eta vs tors. theta energy: -13.962 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: 10, replica: 7 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -755.573429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.573429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.573429 (E_RNA) where: Base-Base interactions energy: -318.587 where: short stacking energy: -193.944 Base-Backbone interact. energy: 5.988 local terms energy: -442.974170 where: bonds (distance) C4'-P energy: -115.562 bonds (distance) P-C4' energy: -155.021 flat angles C4'-P-C4' energy: -120.791 flat angles P-C4'-P energy: -63.813 tors. eta vs tors. theta energy: 12.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -2769.374428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.374428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.374428 (E_RNA) where: Base-Base interactions energy: -1910.568 where: short stacking energy: -791.253 Base-Backbone interact. energy: -0.655 local terms energy: -858.151494 where: bonds (distance) C4'-P energy: -165.707 bonds (distance) P-C4' energy: -152.284 flat angles C4'-P-C4' energy: -195.845 flat angles P-C4'-P energy: -113.769 tors. eta vs tors. theta energy: -230.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -2620.627330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.627330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.627330 (E_RNA) where: Base-Base interactions energy: -1792.825 where: short stacking energy: -757.001 Base-Backbone interact. energy: -4.469 local terms energy: -823.333947 where: bonds (distance) C4'-P energy: -154.479 bonds (distance) P-C4' energy: -155.391 flat angles C4'-P-C4' energy: -165.054 flat angles P-C4'-P energy: -130.391 tors. eta vs tors. theta energy: -218.019 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: 1 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -2508.492211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.492211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.492211 (E_RNA) where: Base-Base interactions energy: -1689.136 where: short stacking energy: -713.907 Base-Backbone interact. energy: -0.076 local terms energy: -819.280053 where: bonds (distance) C4'-P energy: -157.529 bonds (distance) P-C4' energy: -161.272 flat angles C4'-P-C4' energy: -179.691 flat angles P-C4'-P energy: -110.144 tors. eta vs tors. theta energy: -210.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -2415.376701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.376701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.376701 (E_RNA) where: Base-Base interactions energy: -1669.179 where: short stacking energy: -685.850 Base-Backbone interact. energy: 3.400 local terms energy: -749.597722 where: bonds (distance) C4'-P energy: -124.308 bonds (distance) P-C4' energy: -153.145 flat angles C4'-P-C4' energy: -162.777 flat angles P-C4'-P energy: -118.065 tors. eta vs tors. theta energy: -191.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -2203.050915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.050915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.050915 (E_RNA) where: Base-Base interactions energy: -1485.118 where: short stacking energy: -617.096 Base-Backbone interact. energy: -3.241 local terms energy: -714.691233 where: bonds (distance) C4'-P energy: -149.019 bonds (distance) P-C4' energy: -144.442 flat angles C4'-P-C4' energy: -150.872 flat angles P-C4'-P energy: -107.183 tors. eta vs tors. theta energy: -163.176 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: 6, replica: 5 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -1875.912021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.912021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.912021 (E_RNA) where: Base-Base interactions energy: -1225.575 where: short stacking energy: -552.025 Base-Backbone interact. energy: -0.897 local terms energy: -649.440734 where: bonds (distance) C4'-P energy: -135.263 bonds (distance) P-C4' energy: -151.496 flat angles C4'-P-C4' energy: -145.183 flat angles P-C4'-P energy: -80.498 tors. eta vs tors. theta energy: -137.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1701.207511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.207511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.207511 (E_RNA) where: Base-Base interactions energy: -1062.612 where: short stacking energy: -486.975 Base-Backbone interact. energy: -0.948 local terms energy: -637.647160 where: bonds (distance) C4'-P energy: -148.251 bonds (distance) P-C4' energy: -131.538 flat angles C4'-P-C4' energy: -150.072 flat angles P-C4'-P energy: -91.359 tors. eta vs tors. theta energy: -116.427 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: 3 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -1291.375044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.375044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.375044 (E_RNA) where: Base-Base interactions energy: -728.432 where: short stacking energy: -359.037 Base-Backbone interact. energy: -3.489 local terms energy: -559.454071 where: bonds (distance) C4'-P energy: -135.290 bonds (distance) P-C4' energy: -141.248 flat angles C4'-P-C4' energy: -130.872 flat angles P-C4'-P energy: -87.896 tors. eta vs tors. theta energy: -64.147 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: 9 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -797.304108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.304108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.304108 (E_RNA) where: Base-Base interactions energy: -360.755 where: short stacking energy: -221.678 Base-Backbone interact. energy: -1.638 local terms energy: -434.911654 where: bonds (distance) C4'-P energy: -114.227 bonds (distance) P-C4' energy: -131.060 flat angles C4'-P-C4' energy: -117.998 flat angles P-C4'-P energy: -81.763 tors. eta vs tors. theta energy: 10.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -750.978196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.978196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.978196 (E_RNA) where: Base-Base interactions energy: -344.634 where: short stacking energy: -211.591 Base-Backbone interact. energy: 9.125 local terms energy: -415.469294 where: bonds (distance) C4'-P energy: -124.285 bonds (distance) P-C4' energy: -123.481 flat angles C4'-P-C4' energy: -108.210 flat angles P-C4'-P energy: -75.660 tors. eta vs tors. theta energy: 16.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -2786.382704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.382704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.382704 (E_RNA) where: Base-Base interactions energy: -1950.849 where: short stacking energy: -816.954 Base-Backbone interact. energy: -1.312 local terms energy: -834.221926 where: bonds (distance) C4'-P energy: -140.631 bonds (distance) P-C4' energy: -161.735 flat angles C4'-P-C4' energy: -177.150 flat angles P-C4'-P energy: -120.774 tors. eta vs tors. theta energy: -233.931 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: 429 Temperature: 0.950000 Total energy: -2581.815399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.815399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.815399 (E_RNA) where: Base-Base interactions energy: -1759.124 where: short stacking energy: -734.413 Base-Backbone interact. energy: -6.366 local terms energy: -816.325488 where: bonds (distance) C4'-P energy: -146.612 bonds (distance) P-C4' energy: -152.192 flat angles C4'-P-C4' energy: -174.667 flat angles P-C4'-P energy: -129.342 tors. eta vs tors. theta energy: -213.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -2495.359939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.359939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.359939 (E_RNA) where: Base-Base interactions energy: -1684.064 where: short stacking energy: -700.180 Base-Backbone interact. energy: -4.095 local terms energy: -807.200137 where: bonds (distance) C4'-P energy: -152.213 bonds (distance) P-C4' energy: -157.328 flat angles C4'-P-C4' energy: -181.844 flat angles P-C4'-P energy: -99.490 tors. eta vs tors. theta energy: -216.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -2427.905544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.905544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.905544 (E_RNA) where: Base-Base interactions energy: -1670.131 where: short stacking energy: -710.087 Base-Backbone interact. energy: -4.869 local terms energy: -752.905659 where: bonds (distance) C4'-P energy: -133.332 bonds (distance) P-C4' energy: -156.937 flat angles C4'-P-C4' energy: -174.290 flat angles P-C4'-P energy: -102.157 tors. eta vs tors. theta energy: -186.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -2176.279456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.279456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.279456 (E_RNA) where: Base-Base interactions energy: -1457.778 where: short stacking energy: -613.554 Base-Backbone interact. energy: -3.964 local terms energy: -714.537570 where: bonds (distance) C4'-P energy: -134.279 bonds (distance) P-C4' energy: -167.328 flat angles C4'-P-C4' energy: -173.257 flat angles P-C4'-P energy: -93.777 tors. eta vs tors. theta energy: -145.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -1944.031602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.031602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.031602 (E_RNA) where: Base-Base interactions energy: -1254.335 where: short stacking energy: -594.112 Base-Backbone interact. energy: -2.427 local terms energy: -687.269149 where: bonds (distance) C4'-P energy: -129.918 bonds (distance) P-C4' energy: -147.777 flat angles C4'-P-C4' energy: -155.879 flat angles P-C4'-P energy: -101.542 tors. eta vs tors. theta energy: -152.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1707.927536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.927536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.927536 (E_RNA) where: Base-Base interactions energy: -1069.772 where: short stacking energy: -509.456 Base-Backbone interact. energy: -1.996 local terms energy: -636.159105 where: bonds (distance) C4'-P energy: -141.717 bonds (distance) P-C4' energy: -151.196 flat angles C4'-P-C4' energy: -127.845 flat angles P-C4'-P energy: -96.447 tors. eta vs tors. theta energy: -118.954 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: 8, replica: 3 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1298.543170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.543170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.543170 (E_RNA) where: Base-Base interactions energy: -791.627 where: short stacking energy: -387.585 Base-Backbone interact. energy: -1.856 local terms energy: -505.059433 where: bonds (distance) C4'-P energy: -120.915 bonds (distance) P-C4' energy: -144.523 flat angles C4'-P-C4' energy: -134.181 flat angles P-C4'-P energy: -65.787 tors. eta vs tors. theta energy: -39.655 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: 9, replica: 9 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -819.391960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.391960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.391960 (E_RNA) where: Base-Base interactions energy: -371.922 where: short stacking energy: -249.642 Base-Backbone interact. energy: 2.877 local terms energy: -450.346351 where: bonds (distance) C4'-P energy: -120.501 bonds (distance) P-C4' energy: -152.521 flat angles C4'-P-C4' energy: -114.097 flat angles P-C4'-P energy: -62.942 tors. eta vs tors. theta energy: -0.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -720.182204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.182204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.182204 (E_RNA) where: Base-Base interactions energy: -325.471 where: short stacking energy: -214.082 Base-Backbone interact. energy: 7.738 local terms energy: -402.449244 where: bonds (distance) C4'-P energy: -129.737 bonds (distance) P-C4' energy: -114.737 flat angles C4'-P-C4' energy: -93.572 flat angles P-C4'-P energy: -60.823 tors. eta vs tors. theta energy: -3.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -2796.225898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.225898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.225898 (E_RNA) where: Base-Base interactions energy: -1946.168 where: short stacking energy: -814.993 Base-Backbone interact. energy: -3.562 local terms energy: -846.495385 where: bonds (distance) C4'-P energy: -146.322 bonds (distance) P-C4' energy: -155.073 flat angles C4'-P-C4' energy: -188.858 flat angles P-C4'-P energy: -125.878 tors. eta vs tors. theta energy: -230.364 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: 2, replica: 8 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -2575.410604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.410604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.410604 (E_RNA) where: Base-Base interactions energy: -1773.614 where: short stacking energy: -743.163 Base-Backbone interact. energy: -4.834 local terms energy: -796.962521 where: bonds (distance) C4'-P energy: -137.400 bonds (distance) P-C4' energy: -145.382 flat angles C4'-P-C4' energy: -181.540 flat angles P-C4'-P energy: -122.104 tors. eta vs tors. theta energy: -210.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -2452.949474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.949474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.949474 (E_RNA) where: Base-Base interactions energy: -1682.906 where: short stacking energy: -692.403 Base-Backbone interact. energy: -3.003 local terms energy: -767.040577 where: bonds (distance) C4'-P energy: -149.055 bonds (distance) P-C4' energy: -146.037 flat angles C4'-P-C4' energy: -162.467 flat angles P-C4'-P energy: -113.658 tors. eta vs tors. theta energy: -195.825 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: 4 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -2452.284362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.284362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.284362 (E_RNA) where: Base-Base interactions energy: -1702.158 where: short stacking energy: -719.200 Base-Backbone interact. energy: 12.117 local terms energy: -762.243083 where: bonds (distance) C4'-P energy: -134.373 bonds (distance) P-C4' energy: -167.922 flat angles C4'-P-C4' energy: -161.131 flat angles P-C4'-P energy: -119.343 tors. eta vs tors. theta energy: -179.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -2184.940891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.940891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.940891 (E_RNA) where: Base-Base interactions energy: -1463.433 where: short stacking energy: -617.774 Base-Backbone interact. energy: 0.755 local terms energy: -722.262327 where: bonds (distance) C4'-P energy: -133.419 bonds (distance) P-C4' energy: -143.826 flat angles C4'-P-C4' energy: -155.675 flat angles P-C4'-P energy: -100.336 tors. eta vs tors. theta energy: -189.006 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: 6, replica: 5 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -1950.389554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.389554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.389554 (E_RNA) where: Base-Base interactions energy: -1264.793 where: short stacking energy: -557.618 Base-Backbone interact. energy: -4.452 local terms energy: -681.145304 where: bonds (distance) C4'-P energy: -144.398 bonds (distance) P-C4' energy: -143.346 flat angles C4'-P-C4' energy: -151.215 flat angles P-C4'-P energy: -96.933 tors. eta vs tors. theta energy: -145.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1732.220006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.220006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.220006 (E_RNA) where: Base-Base interactions energy: -1118.867 where: short stacking energy: -512.831 Base-Backbone interact. energy: -0.397 local terms energy: -612.955166 where: bonds (distance) C4'-P energy: -107.991 bonds (distance) P-C4' energy: -144.691 flat angles C4'-P-C4' energy: -155.131 flat angles P-C4'-P energy: -96.909 tors. eta vs tors. theta energy: -108.233 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: 3 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -1273.213166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.213166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.213166 (E_RNA) where: Base-Base interactions energy: -720.613 where: short stacking energy: -368.373 Base-Backbone interact. energy: 0.500 local terms energy: -553.099975 where: bonds (distance) C4'-P energy: -137.988 bonds (distance) P-C4' energy: -155.493 flat angles C4'-P-C4' energy: -132.917 flat angles P-C4'-P energy: -74.518 tors. eta vs tors. theta energy: -52.184 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: 9 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -857.322514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.322514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.322514 (E_RNA) where: Base-Base interactions energy: -372.851 where: short stacking energy: -232.355 Base-Backbone interact. energy: -0.796 local terms energy: -483.675633 where: bonds (distance) C4'-P energy: -127.007 bonds (distance) P-C4' energy: -155.768 flat angles C4'-P-C4' energy: -113.897 flat angles P-C4'-P energy: -66.818 tors. eta vs tors. theta energy: -20.186 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: 10, replica: 7 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -703.906582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.906582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.906582 (E_RNA) where: Base-Base interactions energy: -293.539 where: short stacking energy: -182.957 Base-Backbone interact. energy: 3.504 local terms energy: -413.871029 where: bonds (distance) C4'-P energy: -130.510 bonds (distance) P-C4' energy: -137.371 flat angles C4'-P-C4' energy: -108.714 flat angles P-C4'-P energy: -55.414 tors. eta vs tors. theta energy: 18.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -2786.762805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.762805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.762805 (E_RNA) where: Base-Base interactions energy: -1938.719 where: short stacking energy: -775.955 Base-Backbone interact. energy: -4.954 local terms energy: -843.089090 where: bonds (distance) C4'-P energy: -174.466 bonds (distance) P-C4' energy: -164.600 flat angles C4'-P-C4' energy: -159.146 flat angles P-C4'-P energy: -124.065 tors. eta vs tors. theta energy: -220.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -2636.241626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.241626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.241626 (E_RNA) where: Base-Base interactions energy: -1813.472 where: short stacking energy: -717.429 Base-Backbone interact. energy: -0.840 local terms energy: -821.930178 where: bonds (distance) C4'-P energy: -155.117 bonds (distance) P-C4' energy: -156.504 flat angles C4'-P-C4' energy: -183.133 flat angles P-C4'-P energy: -117.340 tors. eta vs tors. theta energy: -209.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -2473.588393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.588393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.588393 (E_RNA) where: Base-Base interactions energy: -1699.593 where: short stacking energy: -707.486 Base-Backbone interact. energy: -6.309 local terms energy: -767.686378 where: bonds (distance) C4'-P energy: -152.112 bonds (distance) P-C4' energy: -153.352 flat angles C4'-P-C4' energy: -166.287 flat angles P-C4'-P energy: -98.242 tors. eta vs tors. theta energy: -197.694 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: 4, replica: 4 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -2478.146959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.146959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.146959 (E_RNA) where: Base-Base interactions energy: -1685.595 where: short stacking energy: -711.998 Base-Backbone interact. energy: -1.273 local terms energy: -791.279215 where: bonds (distance) C4'-P energy: -160.339 bonds (distance) P-C4' energy: -162.995 flat angles C4'-P-C4' energy: -161.811 flat angles P-C4'-P energy: -97.754 tors. eta vs tors. theta energy: -208.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -2206.133078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.133078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.133078 (E_RNA) where: Base-Base interactions energy: -1501.942 where: short stacking energy: -625.116 Base-Backbone interact. energy: -1.171 local terms energy: -703.019984 where: bonds (distance) C4'-P energy: -133.555 bonds (distance) P-C4' energy: -134.721 flat angles C4'-P-C4' energy: -160.863 flat angles P-C4'-P energy: -107.680 tors. eta vs tors. theta energy: -166.202 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: 6, replica: 5 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1959.395893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.395893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.395893 (E_RNA) where: Base-Base interactions energy: -1280.903 where: short stacking energy: -597.375 Base-Backbone interact. energy: -2.807 local terms energy: -675.685262 where: bonds (distance) C4'-P energy: -117.636 bonds (distance) P-C4' energy: -148.879 flat angles C4'-P-C4' energy: -148.336 flat angles P-C4'-P energy: -95.847 tors. eta vs tors. theta energy: -164.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -1683.699859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.699859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.699859 (E_RNA) where: Base-Base interactions energy: -1074.089 where: short stacking energy: -491.656 Base-Backbone interact. energy: -1.323 local terms energy: -608.288598 where: bonds (distance) C4'-P energy: -123.984 bonds (distance) P-C4' energy: -157.418 flat angles C4'-P-C4' energy: -144.481 flat angles P-C4'-P energy: -75.088 tors. eta vs tors. theta energy: -107.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -1261.779886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.779886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.779886 (E_RNA) where: Base-Base interactions energy: -738.954 where: short stacking energy: -367.593 Base-Backbone interact. energy: -4.076 local terms energy: -518.750237 where: bonds (distance) C4'-P energy: -126.309 bonds (distance) P-C4' energy: -139.050 flat angles C4'-P-C4' energy: -145.076 flat angles P-C4'-P energy: -62.181 tors. eta vs tors. theta energy: -46.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -787.599845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.599845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.599845 (E_RNA) where: Base-Base interactions energy: -362.589 where: short stacking energy: -246.031 Base-Backbone interact. energy: 8.114 local terms energy: -433.124814 where: bonds (distance) C4'-P energy: -125.871 bonds (distance) P-C4' energy: -136.887 flat angles C4'-P-C4' energy: -135.798 flat angles P-C4'-P energy: -29.167 tors. eta vs tors. theta energy: -5.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -752.185391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.185391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.185391 (E_RNA) where: Base-Base interactions energy: -348.974 where: short stacking energy: -239.872 Base-Backbone interact. energy: 11.404 local terms energy: -414.615659 where: bonds (distance) C4'-P energy: -133.205 bonds (distance) P-C4' energy: -137.685 flat angles C4'-P-C4' energy: -111.615 flat angles P-C4'-P energy: -42.466 tors. eta vs tors. theta energy: 10.355 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: 1, replica: 2 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -2780.696868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.696868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.696868 (E_RNA) where: Base-Base interactions energy: -1931.219 where: short stacking energy: -803.719 Base-Backbone interact. energy: -4.344 local terms energy: -845.133205 where: bonds (distance) C4'-P energy: -149.944 bonds (distance) P-C4' energy: -170.369 flat angles C4'-P-C4' energy: -182.585 flat angles P-C4'-P energy: -105.678 tors. eta vs tors. theta energy: -236.558 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: 8 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -2620.832884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.832884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.832884 (E_RNA) where: Base-Base interactions energy: -1789.393 where: short stacking energy: -738.944 Base-Backbone interact. energy: -4.285 local terms energy: -827.155118 where: bonds (distance) C4'-P energy: -153.663 bonds (distance) P-C4' energy: -154.171 flat angles C4'-P-C4' energy: -175.982 flat angles P-C4'-P energy: -121.491 tors. eta vs tors. theta energy: -221.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -2458.027849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.027849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.027849 (E_RNA) where: Base-Base interactions energy: -1672.804 where: short stacking energy: -694.220 Base-Backbone interact. energy: -1.365 local terms energy: -783.858441 where: bonds (distance) C4'-P energy: -146.368 bonds (distance) P-C4' energy: -168.909 flat angles C4'-P-C4' energy: -158.404 flat angles P-C4'-P energy: -109.758 tors. eta vs tors. theta energy: -200.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -2437.268184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.268184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.268184 (E_RNA) where: Base-Base interactions energy: -1676.104 where: short stacking energy: -688.006 Base-Backbone interact. energy: -4.801 local terms energy: -756.363065 where: bonds (distance) C4'-P energy: -134.659 bonds (distance) P-C4' energy: -139.772 flat angles C4'-P-C4' energy: -172.853 flat angles P-C4'-P energy: -112.183 tors. eta vs tors. theta energy: -196.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -2220.800945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.800945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.800945 (E_RNA) where: Base-Base interactions energy: -1511.008 where: short stacking energy: -663.398 Base-Backbone interact. energy: -4.304 local terms energy: -705.488997 where: bonds (distance) C4'-P energy: -126.252 bonds (distance) P-C4' energy: -137.628 flat angles C4'-P-C4' energy: -159.031 flat angles P-C4'-P energy: -105.178 tors. eta vs tors. theta energy: -177.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -1892.210519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.210519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.210519 (E_RNA) where: Base-Base interactions energy: -1251.115 where: short stacking energy: -534.252 Base-Backbone interact. energy: 0.258 local terms energy: -641.353503 where: bonds (distance) C4'-P energy: -138.199 bonds (distance) P-C4' energy: -147.008 flat angles C4'-P-C4' energy: -152.036 flat angles P-C4'-P energy: -88.577 tors. eta vs tors. theta energy: -115.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1652.353551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.353551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.353551 (E_RNA) where: Base-Base interactions energy: -1044.723 where: short stacking energy: -485.531 Base-Backbone interact. energy: 0.057 local terms energy: -607.686974 where: bonds (distance) C4'-P energy: -136.849 bonds (distance) P-C4' energy: -135.564 flat angles C4'-P-C4' energy: -146.174 flat angles P-C4'-P energy: -83.312 tors. eta vs tors. theta energy: -105.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -1258.282656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.282656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.282656 (E_RNA) where: Base-Base interactions energy: -702.788 where: short stacking energy: -341.645 Base-Backbone interact. energy: 1.422 local terms energy: -556.916583 where: bonds (distance) C4'-P energy: -148.854 bonds (distance) P-C4' energy: -142.939 flat angles C4'-P-C4' energy: -126.296 flat angles P-C4'-P energy: -68.550 tors. eta vs tors. theta energy: -70.278 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: 9, replica: 7 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -837.438456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.438456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.438456 (E_RNA) where: Base-Base interactions energy: -399.125 where: short stacking energy: -261.435 Base-Backbone interact. energy: 1.062 local terms energy: -439.375568 where: bonds (distance) C4'-P energy: -111.651 bonds (distance) P-C4' energy: -146.648 flat angles C4'-P-C4' energy: -115.931 flat angles P-C4'-P energy: -68.328 tors. eta vs tors. theta energy: 3.182 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: 10, replica: 9 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -745.188635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.188635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.188635 (E_RNA) where: Base-Base interactions energy: -353.349 where: short stacking energy: -218.753 Base-Backbone interact. energy: 1.471 local terms energy: -393.310747 where: bonds (distance) C4'-P energy: -130.448 bonds (distance) P-C4' energy: -121.622 flat angles C4'-P-C4' energy: -100.943 flat angles P-C4'-P energy: -65.031 tors. eta vs tors. theta energy: 24.733 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: 1, replica: 2 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -2780.968267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.968267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.968267 (E_RNA) where: Base-Base interactions energy: -1915.371 where: short stacking energy: -818.592 Base-Backbone interact. energy: -4.074 local terms energy: -861.523494 where: bonds (distance) C4'-P energy: -163.813 bonds (distance) P-C4' energy: -163.580 flat angles C4'-P-C4' energy: -180.299 flat angles P-C4'-P energy: -115.964 tors. eta vs tors. theta energy: -237.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -2592.528324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.528324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.528324 (E_RNA) where: Base-Base interactions energy: -1785.058 where: short stacking energy: -740.100 Base-Backbone interact. energy: -5.939 local terms energy: -801.532195 where: bonds (distance) C4'-P energy: -140.709 bonds (distance) P-C4' energy: -160.481 flat angles C4'-P-C4' energy: -174.288 flat angles P-C4'-P energy: -116.546 tors. eta vs tors. theta energy: -209.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -2496.031307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.031307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.031307 (E_RNA) where: Base-Base interactions energy: -1700.383 where: short stacking energy: -729.190 Base-Backbone interact. energy: -4.551 local terms energy: -791.097287 where: bonds (distance) C4'-P energy: -146.772 bonds (distance) P-C4' energy: -150.402 flat angles C4'-P-C4' energy: -162.579 flat angles P-C4'-P energy: -114.474 tors. eta vs tors. theta energy: -216.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -2523.594072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.594072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.594072 (E_RNA) where: Base-Base interactions energy: -1750.406 where: short stacking energy: -708.899 Base-Backbone interact. energy: -5.410 local terms energy: -767.778727 where: bonds (distance) C4'-P energy: -147.463 bonds (distance) P-C4' energy: -137.573 flat angles C4'-P-C4' energy: -167.728 flat angles P-C4'-P energy: -109.743 tors. eta vs tors. theta energy: -205.272 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: 6 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -2232.100096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.100096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.100096 (E_RNA) where: Base-Base interactions energy: -1547.582 where: short stacking energy: -682.847 Base-Backbone interact. energy: -5.223 local terms energy: -679.294919 where: bonds (distance) C4'-P energy: -109.059 bonds (distance) P-C4' energy: -138.195 flat angles C4'-P-C4' energy: -165.905 flat angles P-C4'-P energy: -83.093 tors. eta vs tors. theta energy: -183.043 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: 433 Temperature: 1.150000 Total energy: -1939.163071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.163071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.163071 (E_RNA) where: Base-Base interactions energy: -1257.151 where: short stacking energy: -574.283 Base-Backbone interact. energy: 3.289 local terms energy: -685.301325 where: bonds (distance) C4'-P energy: -135.304 bonds (distance) P-C4' energy: -139.953 flat angles C4'-P-C4' energy: -145.063 flat angles P-C4'-P energy: -115.515 tors. eta vs tors. theta energy: -149.465 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: 7, replica: 10 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1725.655908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.655908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.655908 (E_RNA) where: Base-Base interactions energy: -1090.851 where: short stacking energy: -514.331 Base-Backbone interact. energy: 0.725 local terms energy: -635.529566 where: bonds (distance) C4'-P energy: -146.039 bonds (distance) P-C4' energy: -124.007 flat angles C4'-P-C4' energy: -155.313 flat angles P-C4'-P energy: -87.701 tors. eta vs tors. theta energy: -122.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -1208.359017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.359017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.359017 (E_RNA) where: Base-Base interactions energy: -677.417 where: short stacking energy: -325.030 Base-Backbone interact. energy: -0.906 local terms energy: -530.035504 where: bonds (distance) C4'-P energy: -128.989 bonds (distance) P-C4' energy: -148.954 flat angles C4'-P-C4' energy: -127.056 flat angles P-C4'-P energy: -75.184 tors. eta vs tors. theta energy: -49.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -792.909254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.909254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.909254 (E_RNA) where: Base-Base interactions energy: -355.067 where: short stacking energy: -214.413 Base-Backbone interact. energy: 2.056 local terms energy: -439.898103 where: bonds (distance) C4'-P energy: -112.971 bonds (distance) P-C4' energy: -138.233 flat angles C4'-P-C4' energy: -127.003 flat angles P-C4'-P energy: -71.455 tors. eta vs tors. theta energy: 9.764 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: 10, replica: 9 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -752.531696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.531696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.531696 (E_RNA) where: Base-Base interactions energy: -354.025 where: short stacking energy: -223.640 Base-Backbone interact. energy: -1.210 local terms energy: -397.295951 where: bonds (distance) C4'-P energy: -115.304 bonds (distance) P-C4' energy: -133.603 flat angles C4'-P-C4' energy: -108.923 flat angles P-C4'-P energy: -52.880 tors. eta vs tors. theta energy: 13.412 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: 2 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -2755.998451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.998451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.998451 (E_RNA) where: Base-Base interactions energy: -1912.547 where: short stacking energy: -786.654 Base-Backbone interact. energy: -2.632 local terms energy: -840.819065 where: bonds (distance) C4'-P energy: -164.394 bonds (distance) P-C4' energy: -165.078 flat angles C4'-P-C4' energy: -173.203 flat angles P-C4'-P energy: -123.445 tors. eta vs tors. theta energy: -214.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -2612.562761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.562761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.562761 (E_RNA) where: Base-Base interactions energy: -1792.014 where: short stacking energy: -741.740 Base-Backbone interact. energy: -4.114 local terms energy: -816.435276 where: bonds (distance) C4'-P energy: -149.006 bonds (distance) P-C4' energy: -160.434 flat angles C4'-P-C4' energy: -172.397 flat angles P-C4'-P energy: -115.946 tors. eta vs tors. theta energy: -218.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -2484.117690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.117690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.117690 (E_RNA) where: Base-Base interactions energy: -1705.466 where: short stacking energy: -720.020 Base-Backbone interact. energy: -4.386 local terms energy: -774.265993 where: bonds (distance) C4'-P energy: -155.338 bonds (distance) P-C4' energy: -152.049 flat angles C4'-P-C4' energy: -172.225 flat angles P-C4'-P energy: -88.439 tors. eta vs tors. theta energy: -206.216 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: 4, replica: 4 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -2453.507267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.507267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.507267 (E_RNA) where: Base-Base interactions energy: -1681.943 where: short stacking energy: -705.759 Base-Backbone interact. energy: -5.285 local terms energy: -766.279153 where: bonds (distance) C4'-P energy: -150.599 bonds (distance) P-C4' energy: -147.807 flat angles C4'-P-C4' energy: -169.796 flat angles P-C4'-P energy: -103.930 tors. eta vs tors. theta energy: -194.148 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: 6 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -2194.588703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.588703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.588703 (E_RNA) where: Base-Base interactions energy: -1490.240 where: short stacking energy: -645.072 Base-Backbone interact. energy: -2.569 local terms energy: -701.779167 where: bonds (distance) C4'-P energy: -134.554 bonds (distance) P-C4' energy: -138.195 flat angles C4'-P-C4' energy: -155.810 flat angles P-C4'-P energy: -102.168 tors. eta vs tors. theta energy: -171.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -1919.083555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.083555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.083555 (E_RNA) where: Base-Base interactions energy: -1234.154 where: short stacking energy: -553.681 Base-Backbone interact. energy: -2.264 local terms energy: -682.664831 where: bonds (distance) C4'-P energy: -144.101 bonds (distance) P-C4' energy: -139.681 flat angles C4'-P-C4' energy: -143.600 flat angles P-C4'-P energy: -110.569 tors. eta vs tors. theta energy: -144.714 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: 10 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -1759.044654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.044654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.044654 (E_RNA) where: Base-Base interactions energy: -1123.116 where: short stacking energy: -491.849 Base-Backbone interact. energy: -0.508 local terms energy: -635.421041 where: bonds (distance) C4'-P energy: -137.831 bonds (distance) P-C4' energy: -137.897 flat angles C4'-P-C4' energy: -125.728 flat angles P-C4'-P energy: -94.910 tors. eta vs tors. theta energy: -139.055 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: 3 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -1249.949589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.949589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.949589 (E_RNA) where: Base-Base interactions energy: -728.843 where: short stacking energy: -382.310 Base-Backbone interact. energy: 2.503 local terms energy: -523.610165 where: bonds (distance) C4'-P energy: -121.406 bonds (distance) P-C4' energy: -145.556 flat angles C4'-P-C4' energy: -119.720 flat angles P-C4'-P energy: -68.362 tors. eta vs tors. theta energy: -68.566 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: 7 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -798.050116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.050116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.050116 (E_RNA) where: Base-Base interactions energy: -350.896 where: short stacking energy: -220.911 Base-Backbone interact. energy: 1.179 local terms energy: -448.333647 where: bonds (distance) C4'-P energy: -126.169 bonds (distance) P-C4' energy: -122.371 flat angles C4'-P-C4' energy: -128.739 flat angles P-C4'-P energy: -85.676 tors. eta vs tors. theta energy: 14.621 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: 9 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -727.940074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.940074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.940074 (E_RNA) where: Base-Base interactions energy: -354.059 where: short stacking energy: -254.514 Base-Backbone interact. energy: -0.636 local terms energy: -373.244444 where: bonds (distance) C4'-P energy: -111.838 bonds (distance) P-C4' energy: -117.552 flat angles C4'-P-C4' energy: -126.548 flat angles P-C4'-P energy: -25.389 tors. eta vs tors. theta energy: 8.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -2768.029557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.029557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.029557 (E_RNA) where: Base-Base interactions energy: -1951.690 where: short stacking energy: -802.420 Base-Backbone interact. energy: -0.778 local terms energy: -815.561787 where: bonds (distance) C4'-P energy: -148.451 bonds (distance) P-C4' energy: -154.846 flat angles C4'-P-C4' energy: -179.659 flat angles P-C4'-P energy: -110.871 tors. eta vs tors. theta energy: -221.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -2639.896844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.896844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.896844 (E_RNA) where: Base-Base interactions energy: -1816.519 where: short stacking energy: -746.246 Base-Backbone interact. energy: -9.716 local terms energy: -813.661596 where: bonds (distance) C4'-P energy: -159.470 bonds (distance) P-C4' energy: -145.267 flat angles C4'-P-C4' energy: -167.778 flat angles P-C4'-P energy: -124.814 tors. eta vs tors. theta energy: -216.333 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: 3, replica: 1 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -2457.673248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.673248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.673248 (E_RNA) where: Base-Base interactions energy: -1677.654 where: short stacking energy: -704.995 Base-Backbone interact. energy: -4.736 local terms energy: -775.283546 where: bonds (distance) C4'-P energy: -152.174 bonds (distance) P-C4' energy: -149.858 flat angles C4'-P-C4' energy: -174.188 flat angles P-C4'-P energy: -94.811 tors. eta vs tors. theta energy: -204.253 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: 4 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -2474.798862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.798862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.798862 (E_RNA) where: Base-Base interactions energy: -1709.720 where: short stacking energy: -710.401 Base-Backbone interact. energy: -5.379 local terms energy: -759.699847 where: bonds (distance) C4'-P energy: -155.865 bonds (distance) P-C4' energy: -134.368 flat angles C4'-P-C4' energy: -163.053 flat angles P-C4'-P energy: -103.109 tors. eta vs tors. theta energy: -203.306 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: 5, replica: 6 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -2178.134730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.134730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.134730 (E_RNA) where: Base-Base interactions energy: -1450.164 where: short stacking energy: -650.205 Base-Backbone interact. energy: -4.620 local terms energy: -723.351323 where: bonds (distance) C4'-P energy: -143.093 bonds (distance) P-C4' energy: -152.105 flat angles C4'-P-C4' energy: -177.597 flat angles P-C4'-P energy: -80.356 tors. eta vs tors. theta energy: -170.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -1910.016416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.016416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.016416 (E_RNA) where: Base-Base interactions energy: -1253.457 where: short stacking energy: -582.658 Base-Backbone interact. energy: 1.098 local terms energy: -657.656713 where: bonds (distance) C4'-P energy: -138.508 bonds (distance) P-C4' energy: -124.075 flat angles C4'-P-C4' energy: -133.992 flat angles P-C4'-P energy: -116.774 tors. eta vs tors. theta energy: -144.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1706.918237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.918237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.918237 (E_RNA) where: Base-Base interactions energy: -1073.069 where: short stacking energy: -503.719 Base-Backbone interact. energy: -1.220 local terms energy: -632.629311 where: bonds (distance) C4'-P energy: -141.901 bonds (distance) P-C4' energy: -134.049 flat angles C4'-P-C4' energy: -143.816 flat angles P-C4'-P energy: -100.240 tors. eta vs tors. theta energy: -112.623 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: 3 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -1273.490804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.490804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.490804 (E_RNA) where: Base-Base interactions energy: -762.728 where: short stacking energy: -359.109 Base-Backbone interact. energy: 2.357 local terms energy: -513.119502 where: bonds (distance) C4'-P energy: -140.027 bonds (distance) P-C4' energy: -117.510 flat angles C4'-P-C4' energy: -122.796 flat angles P-C4'-P energy: -79.078 tors. eta vs tors. theta energy: -53.709 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: 7 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -875.328731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.328731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.328731 (E_RNA) where: Base-Base interactions energy: -399.953 where: short stacking energy: -217.879 Base-Backbone interact. energy: -1.393 local terms energy: -473.983138 where: bonds (distance) C4'-P energy: -131.010 bonds (distance) P-C4' energy: -150.193 flat angles C4'-P-C4' energy: -128.800 flat angles P-C4'-P energy: -71.471 tors. eta vs tors. theta energy: 7.491 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: 9 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -785.200149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.200149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.200149 (E_RNA) where: Base-Base interactions energy: -359.426 where: short stacking energy: -257.984 Base-Backbone interact. energy: 5.361 local terms energy: -431.135291 where: bonds (distance) C4'-P energy: -134.402 bonds (distance) P-C4' energy: -124.725 flat angles C4'-P-C4' energy: -107.614 flat angles P-C4'-P energy: -58.905 tors. eta vs tors. theta energy: -5.489 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: 1, replica: 2 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -2799.849926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.849926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.849926 (E_RNA) where: Base-Base interactions energy: -1923.090 where: short stacking energy: -798.947 Base-Backbone interact. energy: -4.823 local terms energy: -871.936876 where: bonds (distance) C4'-P energy: -163.266 bonds (distance) P-C4' energy: -157.564 flat angles C4'-P-C4' energy: -189.118 flat angles P-C4'-P energy: -130.794 tors. eta vs tors. theta energy: -231.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -2601.154037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.154037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.154037 (E_RNA) where: Base-Base interactions energy: -1774.228 where: short stacking energy: -733.523 Base-Backbone interact. energy: -3.493 local terms energy: -823.432514 where: bonds (distance) C4'-P energy: -160.867 bonds (distance) P-C4' energy: -173.911 flat angles C4'-P-C4' energy: -170.286 flat angles P-C4'-P energy: -111.805 tors. eta vs tors. theta energy: -206.563 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: 4 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -2576.973499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.973499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.973499 (E_RNA) where: Base-Base interactions energy: -1753.867 where: short stacking energy: -772.201 Base-Backbone interact. energy: -5.187 local terms energy: -817.918776 where: bonds (distance) C4'-P energy: -150.968 bonds (distance) P-C4' energy: -159.197 flat angles C4'-P-C4' energy: -172.811 flat angles P-C4'-P energy: -114.889 tors. eta vs tors. theta energy: -220.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -2403.168210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.168210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.168210 (E_RNA) where: Base-Base interactions energy: -1622.712 where: short stacking energy: -701.971 Base-Backbone interact. energy: -4.109 local terms energy: -776.347069 where: bonds (distance) C4'-P energy: -137.000 bonds (distance) P-C4' energy: -154.630 flat angles C4'-P-C4' energy: -169.507 flat angles P-C4'-P energy: -109.467 tors. eta vs tors. theta energy: -205.743 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: 5, replica: 6 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -2187.542403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.542403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.542403 (E_RNA) where: Base-Base interactions energy: -1439.628 where: short stacking energy: -634.132 Base-Backbone interact. energy: -1.891 local terms energy: -746.023756 where: bonds (distance) C4'-P energy: -151.265 bonds (distance) P-C4' energy: -144.272 flat angles C4'-P-C4' energy: -180.309 flat angles P-C4'-P energy: -88.758 tors. eta vs tors. theta energy: -181.419 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: 436 Temperature: 1.150000 Total energy: -1912.148805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.148805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.148805 (E_RNA) where: Base-Base interactions energy: -1251.613 where: short stacking energy: -578.869 Base-Backbone interact. energy: 1.262 local terms energy: -661.797840 where: bonds (distance) C4'-P energy: -148.997 bonds (distance) P-C4' energy: -141.780 flat angles C4'-P-C4' energy: -140.358 flat angles P-C4'-P energy: -83.530 tors. eta vs tors. theta energy: -147.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -1746.501046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.501046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.501046 (E_RNA) where: Base-Base interactions energy: -1136.117 where: short stacking energy: -509.450 Base-Backbone interact. energy: 0.665 local terms energy: -611.049337 where: bonds (distance) C4'-P energy: -133.583 bonds (distance) P-C4' energy: -129.323 flat angles C4'-P-C4' energy: -152.981 flat angles P-C4'-P energy: -81.130 tors. eta vs tors. theta energy: -114.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -1269.502937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.502937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.502937 (E_RNA) where: Base-Base interactions energy: -725.246 where: short stacking energy: -352.809 Base-Backbone interact. energy: 0.245 local terms energy: -544.501110 where: bonds (distance) C4'-P energy: -123.851 bonds (distance) P-C4' energy: -140.872 flat angles C4'-P-C4' energy: -137.983 flat angles P-C4'-P energy: -78.186 tors. eta vs tors. theta energy: -63.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -838.986208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.986208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.986208 (E_RNA) where: Base-Base interactions energy: -398.309 where: short stacking energy: -232.357 Base-Backbone interact. energy: 8.001 local terms energy: -448.678006 where: bonds (distance) C4'-P energy: -135.965 bonds (distance) P-C4' energy: -134.306 flat angles C4'-P-C4' energy: -114.302 flat angles P-C4'-P energy: -64.016 tors. eta vs tors. theta energy: -0.088 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: 9 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -768.980735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.980735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.980735 (E_RNA) where: Base-Base interactions energy: -329.260 where: short stacking energy: -207.336 Base-Backbone interact. energy: 7.362 local terms energy: -447.082785 where: bonds (distance) C4'-P energy: -130.451 bonds (distance) P-C4' energy: -155.805 flat angles C4'-P-C4' energy: -123.603 flat angles P-C4'-P energy: -46.737 tors. eta vs tors. theta energy: 9.513 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: 1, replica: 2 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -2769.726206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.726206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.726206 (E_RNA) where: Base-Base interactions energy: -1910.638 where: short stacking energy: -816.727 Base-Backbone interact. energy: 1.752 local terms energy: -860.840431 where: bonds (distance) C4'-P energy: -158.106 bonds (distance) P-C4' energy: -173.859 flat angles C4'-P-C4' energy: -176.948 flat angles P-C4'-P energy: -128.145 tors. eta vs tors. theta energy: -223.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -2587.412447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.412447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.412447 (E_RNA) where: Base-Base interactions energy: -1758.403 where: short stacking energy: -727.603 Base-Backbone interact. energy: -1.618 local terms energy: -827.391747 where: bonds (distance) C4'-P energy: -169.005 bonds (distance) P-C4' energy: -163.049 flat angles C4'-P-C4' energy: -169.236 flat angles P-C4'-P energy: -116.271 tors. eta vs tors. theta energy: -209.831 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: 3, replica: 4 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2553.524883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.524883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.524883 (E_RNA) where: Base-Base interactions energy: -1747.578 where: short stacking energy: -761.444 Base-Backbone interact. energy: -5.406 local terms energy: -800.540919 where: bonds (distance) C4'-P energy: -142.352 bonds (distance) P-C4' energy: -157.721 flat angles C4'-P-C4' energy: -166.544 flat angles P-C4'-P energy: -117.893 tors. eta vs tors. theta energy: -216.031 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: 4, replica: 1 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -2394.621796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.621796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.621796 (E_RNA) where: Base-Base interactions energy: -1646.341 where: short stacking energy: -714.964 Base-Backbone interact. energy: -5.348 local terms energy: -742.932507 where: bonds (distance) C4'-P energy: -156.695 bonds (distance) P-C4' energy: -124.109 flat angles C4'-P-C4' energy: -169.689 flat angles P-C4'-P energy: -98.129 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: 5, replica: 6 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -2190.308956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.308956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.308956 (E_RNA) where: Base-Base interactions energy: -1457.158 where: short stacking energy: -687.272 Base-Backbone interact. energy: -2.563 local terms energy: -730.587796 where: bonds (distance) C4'-P energy: -131.212 bonds (distance) P-C4' energy: -137.336 flat angles C4'-P-C4' energy: -169.345 flat angles P-C4'-P energy: -98.961 tors. eta vs tors. theta energy: -193.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -1853.183359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.183359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.183359 (E_RNA) where: Base-Base interactions energy: -1212.876 where: short stacking energy: -554.452 Base-Backbone interact. energy: 0.039 local terms energy: -640.346201 where: bonds (distance) C4'-P energy: -119.822 bonds (distance) P-C4' energy: -166.346 flat angles C4'-P-C4' energy: -150.848 flat angles P-C4'-P energy: -85.654 tors. eta vs tors. theta energy: -117.677 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: 10 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -1743.998066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.998066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.998066 (E_RNA) where: Base-Base interactions energy: -1128.119 where: short stacking energy: -526.365 Base-Backbone interact. energy: -2.019 local terms energy: -613.860496 where: bonds (distance) C4'-P energy: -118.470 bonds (distance) P-C4' energy: -133.154 flat angles C4'-P-C4' energy: -144.458 flat angles P-C4'-P energy: -92.731 tors. eta vs tors. theta energy: -125.048 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: 3 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -1294.897975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.897975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.897975 (E_RNA) where: Base-Base interactions energy: -794.443 where: short stacking energy: -385.743 Base-Backbone interact. energy: 2.002 local terms energy: -502.456322 where: bonds (distance) C4'-P energy: -127.347 bonds (distance) P-C4' energy: -129.340 flat angles C4'-P-C4' energy: -113.155 flat angles P-C4'-P energy: -63.118 tors. eta vs tors. theta energy: -69.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -855.464415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.464415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.464415 (E_RNA) where: Base-Base interactions energy: -367.070 where: short stacking energy: -221.695 Base-Backbone interact. energy: 5.364 local terms energy: -493.758213 where: bonds (distance) C4'-P energy: -147.539 bonds (distance) P-C4' energy: -147.775 flat angles C4'-P-C4' energy: -118.737 flat angles P-C4'-P energy: -88.299 tors. eta vs tors. theta energy: 8.592 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: 9 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -692.639608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.639608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.639608 (E_RNA) where: Base-Base interactions energy: -271.956 where: short stacking energy: -184.153 Base-Backbone interact. energy: -2.982 local terms energy: -417.701395 where: bonds (distance) C4'-P energy: -121.268 bonds (distance) P-C4' energy: -122.949 flat angles C4'-P-C4' energy: -114.885 flat angles P-C4'-P energy: -75.867 tors. eta vs tors. theta energy: 17.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -2757.379461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.379461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.379461 (E_RNA) where: Base-Base interactions energy: -1902.466 where: short stacking energy: -799.649 Base-Backbone interact. energy: -6.085 local terms energy: -848.828006 where: bonds (distance) C4'-P energy: -153.735 bonds (distance) P-C4' energy: -159.458 flat angles C4'-P-C4' energy: -185.266 flat angles P-C4'-P energy: -122.770 tors. eta vs tors. theta energy: -227.600 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: 8 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -2592.453527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.453527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.453527 (E_RNA) where: Base-Base interactions energy: -1788.741 where: short stacking energy: -727.127 Base-Backbone interact. energy: -2.196 local terms energy: -801.516372 where: bonds (distance) C4'-P energy: -140.753 bonds (distance) P-C4' energy: -147.709 flat angles C4'-P-C4' energy: -171.502 flat angles P-C4'-P energy: -128.670 tors. eta vs tors. theta energy: -212.883 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: 438 Temperature: 1.000000 Total energy: -2568.159284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.159284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.159284 (E_RNA) where: Base-Base interactions energy: -1764.637 where: short stacking energy: -746.357 Base-Backbone interact. energy: -1.743 local terms energy: -801.779128 where: bonds (distance) C4'-P energy: -149.419 bonds (distance) P-C4' energy: -142.963 flat angles C4'-P-C4' energy: -173.738 flat angles P-C4'-P energy: -120.183 tors. eta vs tors. theta energy: -215.475 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: 4, replica: 1 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -2396.069468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.069468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.069468 (E_RNA) where: Base-Base interactions energy: -1632.963 where: short stacking energy: -673.468 Base-Backbone interact. energy: 1.476 local terms energy: -764.582608 where: bonds (distance) C4'-P energy: -142.134 bonds (distance) P-C4' energy: -154.665 flat angles C4'-P-C4' energy: -168.148 flat angles P-C4'-P energy: -109.261 tors. eta vs tors. theta energy: -190.375 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: 6 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -2205.005170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.005170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.005170 (E_RNA) where: Base-Base interactions energy: -1450.712 where: short stacking energy: -652.212 Base-Backbone interact. energy: -2.313 local terms energy: -751.979623 where: bonds (distance) C4'-P energy: -141.773 bonds (distance) P-C4' energy: -152.878 flat angles C4'-P-C4' energy: -169.408 flat angles P-C4'-P energy: -103.258 tors. eta vs tors. theta energy: -184.663 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: 6, replica: 5 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -1819.170347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.170347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.170347 (E_RNA) where: Base-Base interactions energy: -1180.494 where: short stacking energy: -533.697 Base-Backbone interact. energy: -0.900 local terms energy: -637.776277 where: bonds (distance) C4'-P energy: -142.467 bonds (distance) P-C4' energy: -131.549 flat angles C4'-P-C4' energy: -151.105 flat angles P-C4'-P energy: -88.730 tors. eta vs tors. theta energy: -123.924 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: 10 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -1744.502110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.502110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.502110 (E_RNA) where: Base-Base interactions energy: -1099.331 where: short stacking energy: -487.426 Base-Backbone interact. energy: 0.787 local terms energy: -645.957978 where: bonds (distance) C4'-P energy: -136.502 bonds (distance) P-C4' energy: -142.195 flat angles C4'-P-C4' energy: -145.938 flat angles P-C4'-P energy: -99.767 tors. eta vs tors. theta energy: -121.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -1314.714382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.714382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.714382 (E_RNA) where: Base-Base interactions energy: -758.180 where: short stacking energy: -399.537 Base-Backbone interact. energy: -4.628 local terms energy: -551.906889 where: bonds (distance) C4'-P energy: -100.898 bonds (distance) P-C4' energy: -152.069 flat angles C4'-P-C4' energy: -136.400 flat angles P-C4'-P energy: -97.544 tors. eta vs tors. theta energy: -64.996 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: 7 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -791.680722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.680722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.680722 (E_RNA) where: Base-Base interactions energy: -369.112 where: short stacking energy: -232.118 Base-Backbone interact. energy: -4.922 local terms energy: -417.646426 where: bonds (distance) C4'-P energy: -132.703 bonds (distance) P-C4' energy: -148.336 flat angles C4'-P-C4' energy: -84.801 flat angles P-C4'-P energy: -71.514 tors. eta vs tors. theta energy: 19.707 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: 10, replica: 9 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -746.021708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.021708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.021708 (E_RNA) where: Base-Base interactions energy: -299.406 where: short stacking energy: -197.644 Base-Backbone interact. energy: 1.238 local terms energy: -447.853825 where: bonds (distance) C4'-P energy: -136.775 bonds (distance) P-C4' energy: -146.448 flat angles C4'-P-C4' energy: -100.324 flat angles P-C4'-P energy: -74.179 tors. eta vs tors. theta energy: 9.873 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: 2 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -2764.322154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.322154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.322154 (E_RNA) where: Base-Base interactions energy: -1973.174 where: short stacking energy: -806.496 Base-Backbone interact. energy: -0.128 local terms energy: -791.020142 where: bonds (distance) C4'-P energy: -148.949 bonds (distance) P-C4' energy: -149.615 flat angles C4'-P-C4' energy: -180.328 flat angles P-C4'-P energy: -98.840 tors. eta vs tors. theta energy: -213.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -2602.719379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.719379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.719379 (E_RNA) where: Base-Base interactions energy: -1797.120 where: short stacking energy: -724.450 Base-Backbone interact. energy: -6.045 local terms energy: -799.554166 where: bonds (distance) C4'-P energy: -162.663 bonds (distance) P-C4' energy: -139.399 flat angles C4'-P-C4' energy: -181.008 flat angles P-C4'-P energy: -96.643 tors. eta vs tors. theta energy: -219.842 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: 3, replica: 4 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -2551.818979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.818979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.818979 (E_RNA) where: Base-Base interactions energy: -1750.622 where: short stacking energy: -758.348 Base-Backbone interact. energy: -3.926 local terms energy: -797.270308 where: bonds (distance) C4'-P energy: -147.091 bonds (distance) P-C4' energy: -149.143 flat angles C4'-P-C4' energy: -175.621 flat angles P-C4'-P energy: -112.761 tors. eta vs tors. theta energy: -212.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -2412.172289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.172289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.172289 (E_RNA) where: Base-Base interactions energy: -1644.023 where: short stacking energy: -688.615 Base-Backbone interact. energy: -4.240 local terms energy: -763.908992 where: bonds (distance) C4'-P energy: -148.999 bonds (distance) P-C4' energy: -145.206 flat angles C4'-P-C4' energy: -168.131 flat angles P-C4'-P energy: -93.691 tors. eta vs tors. theta energy: -207.881 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: 5, replica: 6 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -2163.854394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.854394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.854394 (E_RNA) where: Base-Base interactions energy: -1438.731 where: short stacking energy: -611.732 Base-Backbone interact. energy: -0.247 local terms energy: -724.875909 where: bonds (distance) C4'-P energy: -146.330 bonds (distance) P-C4' energy: -146.750 flat angles C4'-P-C4' energy: -154.962 flat angles P-C4'-P energy: -89.803 tors. eta vs tors. theta energy: -187.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -1891.928746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.928746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.928746 (E_RNA) where: Base-Base interactions energy: -1216.152 where: short stacking energy: -571.007 Base-Backbone interact. energy: -2.278 local terms energy: -673.498770 where: bonds (distance) C4'-P energy: -127.050 bonds (distance) P-C4' energy: -146.863 flat angles C4'-P-C4' energy: -154.956 flat angles P-C4'-P energy: -96.212 tors. eta vs tors. theta energy: -148.418 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: 10 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1673.766616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.766616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.766616 (E_RNA) where: Base-Base interactions energy: -1055.519 where: short stacking energy: -481.734 Base-Backbone interact. energy: -0.850 local terms energy: -617.397806 where: bonds (distance) C4'-P energy: -140.487 bonds (distance) P-C4' energy: -144.588 flat angles C4'-P-C4' energy: -142.267 flat angles P-C4'-P energy: -79.966 tors. eta vs tors. theta energy: -110.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -1343.956569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.956569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.956569 (E_RNA) where: Base-Base interactions energy: -790.109 where: short stacking energy: -403.205 Base-Backbone interact. energy: -1.769 local terms energy: -552.078929 where: bonds (distance) C4'-P energy: -135.891 bonds (distance) P-C4' energy: -139.607 flat angles C4'-P-C4' energy: -125.945 flat angles P-C4'-P energy: -92.820 tors. eta vs tors. theta energy: -57.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -789.082997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.082997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.082997 (E_RNA) where: Base-Base interactions energy: -374.287 where: short stacking energy: -247.979 Base-Backbone interact. energy: -1.532 local terms energy: -413.264048 where: bonds (distance) C4'-P energy: -127.208 bonds (distance) P-C4' energy: -124.162 flat angles C4'-P-C4' energy: -109.257 flat angles P-C4'-P energy: -64.547 tors. eta vs tors. theta energy: 11.910 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: 10, replica: 9 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -740.902431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.902431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.902431 (E_RNA) where: Base-Base interactions energy: -334.990 where: short stacking energy: -237.835 Base-Backbone interact. energy: 3.946 local terms energy: -409.858225 where: bonds (distance) C4'-P energy: -115.008 bonds (distance) P-C4' energy: -112.234 flat angles C4'-P-C4' energy: -126.542 flat angles P-C4'-P energy: -63.245 tors. eta vs tors. theta energy: 7.171 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: 2 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -2799.082971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.082971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.082971 (E_RNA) where: Base-Base interactions energy: -1962.408 where: short stacking energy: -820.469 Base-Backbone interact. energy: -2.326 local terms energy: -834.349393 where: bonds (distance) C4'-P energy: -155.954 bonds (distance) P-C4' energy: -166.063 flat angles C4'-P-C4' energy: -181.386 flat angles P-C4'-P energy: -112.606 tors. eta vs tors. theta energy: -218.341 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: 8 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -2594.651922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.651922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.651922 (E_RNA) where: Base-Base interactions energy: -1780.854 where: short stacking energy: -740.560 Base-Backbone interact. energy: -4.752 local terms energy: -809.045930 where: bonds (distance) C4'-P energy: -152.827 bonds (distance) P-C4' energy: -152.154 flat angles C4'-P-C4' energy: -176.922 flat angles P-C4'-P energy: -117.515 tors. eta vs tors. theta energy: -209.628 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: 4 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -2585.855989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.855989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.855989 (E_RNA) where: Base-Base interactions energy: -1764.033 where: short stacking energy: -754.640 Base-Backbone interact. energy: -7.602 local terms energy: -814.221386 where: bonds (distance) C4'-P energy: -144.710 bonds (distance) P-C4' energy: -163.373 flat angles C4'-P-C4' energy: -160.631 flat angles P-C4'-P energy: -126.427 tors. eta vs tors. theta energy: -219.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -2371.038833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.038833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.038833 (E_RNA) where: Base-Base interactions energy: -1599.974 where: short stacking energy: -678.587 Base-Backbone interact. energy: -4.505 local terms energy: -766.560108 where: bonds (distance) C4'-P energy: -119.983 bonds (distance) P-C4' energy: -163.954 flat angles C4'-P-C4' energy: -171.656 flat angles P-C4'-P energy: -102.086 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: 5, replica: 6 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -2193.727165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.727165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.727165 (E_RNA) where: Base-Base interactions energy: -1462.686 where: short stacking energy: -626.652 Base-Backbone interact. energy: -0.687 local terms energy: -730.354085 where: bonds (distance) C4'-P energy: -149.647 bonds (distance) P-C4' energy: -155.379 flat angles C4'-P-C4' energy: -152.714 flat angles P-C4'-P energy: -102.984 tors. eta vs tors. theta energy: -169.630 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: 6, replica: 5 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -1876.120136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.120136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.120136 (E_RNA) where: Base-Base interactions energy: -1191.696 where: short stacking energy: -538.027 Base-Backbone interact. energy: 1.284 local terms energy: -685.707459 where: bonds (distance) C4'-P energy: -135.865 bonds (distance) P-C4' energy: -147.903 flat angles C4'-P-C4' energy: -172.522 flat angles P-C4'-P energy: -100.599 tors. eta vs tors. theta energy: -128.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1697.912250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.912250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.912250 (E_RNA) where: Base-Base interactions energy: -1085.751 where: short stacking energy: -517.363 Base-Backbone interact. energy: -0.758 local terms energy: -611.403256 where: bonds (distance) C4'-P energy: -126.891 bonds (distance) P-C4' energy: -131.349 flat angles C4'-P-C4' energy: -143.866 flat angles P-C4'-P energy: -82.619 tors. eta vs tors. theta energy: -126.678 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: 3 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -1308.089010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.089010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.089010 (E_RNA) where: Base-Base interactions energy: -776.990 where: short stacking energy: -384.381 Base-Backbone interact. energy: -0.552 local terms energy: -530.547218 where: bonds (distance) C4'-P energy: -148.568 bonds (distance) P-C4' energy: -123.837 flat angles C4'-P-C4' energy: -119.658 flat angles P-C4'-P energy: -71.345 tors. eta vs tors. theta energy: -67.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -774.607083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.607083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.607083 (E_RNA) where: Base-Base interactions energy: -312.098 where: short stacking energy: -206.193 Base-Backbone interact. energy: 4.098 local terms energy: -466.607714 where: bonds (distance) C4'-P energy: -126.146 bonds (distance) P-C4' energy: -129.926 flat angles C4'-P-C4' energy: -115.564 flat angles P-C4'-P energy: -82.260 tors. eta vs tors. theta energy: -12.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -755.846409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.846409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.846409 (E_RNA) where: Base-Base interactions energy: -349.140 where: short stacking energy: -191.256 Base-Backbone interact. energy: 12.387 local terms energy: -419.092830 where: bonds (distance) C4'-P energy: -120.914 bonds (distance) P-C4' energy: -132.661 flat angles C4'-P-C4' energy: -119.071 flat angles P-C4'-P energy: -80.705 tors. eta vs tors. theta energy: 34.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -2741.732867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.732867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.732867 (E_RNA) where: Base-Base interactions energy: -1900.013 where: short stacking energy: -774.121 Base-Backbone interact. energy: -3.896 local terms energy: -837.824482 where: bonds (distance) C4'-P energy: -161.449 bonds (distance) P-C4' energy: -165.363 flat angles C4'-P-C4' energy: -182.519 flat angles P-C4'-P energy: -111.110 tors. eta vs tors. theta energy: -217.384 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: 4 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -2658.116831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.116831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.116831 (E_RNA) where: Base-Base interactions energy: -1825.956 where: short stacking energy: -771.863 Base-Backbone interact. energy: -5.404 local terms energy: -826.757497 where: bonds (distance) C4'-P energy: -147.464 bonds (distance) P-C4' energy: -145.261 flat angles C4'-P-C4' energy: -183.881 flat angles P-C4'-P energy: -129.355 tors. eta vs tors. theta energy: -220.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -2553.843461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.843461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.843461 (E_RNA) where: Base-Base interactions energy: -1748.735 where: short stacking energy: -744.555 Base-Backbone interact. energy: -2.406 local terms energy: -802.702394 where: bonds (distance) C4'-P energy: -144.244 bonds (distance) P-C4' energy: -155.736 flat angles C4'-P-C4' energy: -177.461 flat angles P-C4'-P energy: -110.080 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: 1 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -2398.337347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.337347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.337347 (E_RNA) where: Base-Base interactions energy: -1605.752 where: short stacking energy: -677.697 Base-Backbone interact. energy: -1.082 local terms energy: -791.502843 where: bonds (distance) C4'-P energy: -171.846 bonds (distance) P-C4' energy: -144.459 flat angles C4'-P-C4' energy: -167.550 flat angles P-C4'-P energy: -101.993 tors. eta vs tors. theta energy: -205.655 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: 5, replica: 6 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -2182.918514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.918514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.918514 (E_RNA) where: Base-Base interactions energy: -1466.325 where: short stacking energy: -628.476 Base-Backbone interact. energy: 2.259 local terms energy: -718.851841 where: bonds (distance) C4'-P energy: -141.612 bonds (distance) P-C4' energy: -146.711 flat angles C4'-P-C4' energy: -165.727 flat angles P-C4'-P energy: -94.357 tors. eta vs tors. theta energy: -170.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -1904.960743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.960743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.960743 (E_RNA) where: Base-Base interactions energy: -1229.042 where: short stacking energy: -581.524 Base-Backbone interact. energy: 0.390 local terms energy: -676.309150 where: bonds (distance) C4'-P energy: -147.145 bonds (distance) P-C4' energy: -135.935 flat angles C4'-P-C4' energy: -157.494 flat angles P-C4'-P energy: -81.848 tors. eta vs tors. theta energy: -153.887 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: 10 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1731.223758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.223758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.223758 (E_RNA) where: Base-Base interactions energy: -1107.279 where: short stacking energy: -519.956 Base-Backbone interact. energy: -0.520 local terms energy: -623.424050 where: bonds (distance) C4'-P energy: -130.044 bonds (distance) P-C4' energy: -142.553 flat angles C4'-P-C4' energy: -132.321 flat angles P-C4'-P energy: -84.115 tors. eta vs tors. theta energy: -134.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -1314.335345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.335345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.335345 (E_RNA) where: Base-Base interactions energy: -777.737 where: short stacking energy: -370.949 Base-Backbone interact. energy: -0.027 local terms energy: -536.571415 where: bonds (distance) C4'-P energy: -122.336 bonds (distance) P-C4' energy: -145.696 flat angles C4'-P-C4' energy: -139.369 flat angles P-C4'-P energy: -68.232 tors. eta vs tors. theta energy: -60.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -764.718061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.718061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.718061 (E_RNA) where: Base-Base interactions energy: -317.871 where: short stacking energy: -199.036 Base-Backbone interact. energy: 2.498 local terms energy: -449.345147 where: bonds (distance) C4'-P energy: -143.997 bonds (distance) P-C4' energy: -134.017 flat angles C4'-P-C4' energy: -127.517 flat angles P-C4'-P energy: -55.942 tors. eta vs tors. theta energy: 12.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -782.856825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.856825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.856825 (E_RNA) where: Base-Base interactions energy: -332.096 where: short stacking energy: -180.415 Base-Backbone interact. energy: 1.808 local terms energy: -452.568740 where: bonds (distance) C4'-P energy: -145.615 bonds (distance) P-C4' energy: -146.820 flat angles C4'-P-C4' energy: -118.494 flat angles P-C4'-P energy: -53.848 tors. eta vs tors. theta energy: 12.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -2752.996388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.996388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.996388 (E_RNA) where: Base-Base interactions energy: -1920.159 where: short stacking energy: -771.597 Base-Backbone interact. energy: -4.203 local terms energy: -828.634738 where: bonds (distance) C4'-P energy: -176.373 bonds (distance) P-C4' energy: -146.699 flat angles C4'-P-C4' energy: -170.983 flat angles P-C4'-P energy: -119.636 tors. eta vs tors. theta energy: -214.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -2624.407594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.407594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.407594 (E_RNA) where: Base-Base interactions energy: -1808.525 where: short stacking energy: -762.374 Base-Backbone interact. energy: -2.395 local terms energy: -813.487875 where: bonds (distance) C4'-P energy: -164.089 bonds (distance) P-C4' energy: -153.339 flat angles C4'-P-C4' energy: -169.803 flat angles P-C4'-P energy: -102.870 tors. eta vs tors. theta energy: -223.386 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: 3, replica: 8 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -2533.667824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.667824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.667824 (E_RNA) where: Base-Base interactions energy: -1740.661 where: short stacking energy: -716.177 Base-Backbone interact. energy: -6.928 local terms energy: -786.078189 where: bonds (distance) C4'-P energy: -140.947 bonds (distance) P-C4' energy: -141.428 flat angles C4'-P-C4' energy: -178.610 flat angles P-C4'-P energy: -123.188 tors. eta vs tors. theta energy: -201.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -2385.286383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.286383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.286383 (E_RNA) where: Base-Base interactions energy: -1623.028 where: short stacking energy: -692.485 Base-Backbone interact. energy: -4.979 local terms energy: -757.279423 where: bonds (distance) C4'-P energy: -161.877 bonds (distance) P-C4' energy: -144.765 flat angles C4'-P-C4' energy: -167.672 flat angles P-C4'-P energy: -87.374 tors. eta vs tors. theta energy: -195.591 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: 5, replica: 6 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -2233.275887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.275887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.275887 (E_RNA) where: Base-Base interactions energy: -1499.416 where: short stacking energy: -643.218 Base-Backbone interact. energy: -2.172 local terms energy: -731.687757 where: bonds (distance) C4'-P energy: -147.843 bonds (distance) P-C4' energy: -147.926 flat angles C4'-P-C4' energy: -168.391 flat angles P-C4'-P energy: -87.444 tors. eta vs tors. theta energy: -180.084 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: 6, replica: 5 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -1874.667297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.667297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.667297 (E_RNA) where: Base-Base interactions energy: -1201.290 where: short stacking energy: -540.915 Base-Backbone interact. energy: 4.114 local terms energy: -677.492215 where: bonds (distance) C4'-P energy: -134.248 bonds (distance) P-C4' energy: -146.682 flat angles C4'-P-C4' energy: -154.119 flat angles P-C4'-P energy: -90.684 tors. eta vs tors. theta energy: -151.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -1629.196091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.196091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.196091 (E_RNA) where: Base-Base interactions energy: -1014.529 where: short stacking energy: -450.310 Base-Backbone interact. energy: 0.788 local terms energy: -615.455506 where: bonds (distance) C4'-P energy: -131.969 bonds (distance) P-C4' energy: -162.361 flat angles C4'-P-C4' energy: -137.827 flat angles P-C4'-P energy: -83.293 tors. eta vs tors. theta energy: -100.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1196.985037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.985037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.985037 (E_RNA) where: Base-Base interactions energy: -676.090 where: short stacking energy: -359.499 Base-Backbone interact. energy: -3.988 local terms energy: -516.906791 where: bonds (distance) C4'-P energy: -136.033 bonds (distance) P-C4' energy: -128.064 flat angles C4'-P-C4' energy: -112.594 flat angles P-C4'-P energy: -85.474 tors. eta vs tors. theta energy: -54.741 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: 9, replica: 7 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -764.035961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.035961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.035961 (E_RNA) where: Base-Base interactions energy: -342.271 where: short stacking energy: -210.351 Base-Backbone interact. energy: 6.066 local terms energy: -427.830460 where: bonds (distance) C4'-P energy: -117.315 bonds (distance) P-C4' energy: -126.249 flat angles C4'-P-C4' energy: -128.050 flat angles P-C4'-P energy: -59.794 tors. eta vs tors. theta energy: 3.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -727.659111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.659111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.659111 (E_RNA) where: Base-Base interactions energy: -316.697 where: short stacking energy: -199.807 Base-Backbone interact. energy: 0.919 local terms energy: -411.880688 where: bonds (distance) C4'-P energy: -150.339 bonds (distance) P-C4' energy: -116.261 flat angles C4'-P-C4' energy: -108.670 flat angles P-C4'-P energy: -60.235 tors. eta vs tors. theta energy: 23.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -2798.775480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.775480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.775480 (E_RNA) where: Base-Base interactions energy: -1941.074 where: short stacking energy: -803.160 Base-Backbone interact. energy: -5.633 local terms energy: -852.067688 where: bonds (distance) C4'-P energy: -171.432 bonds (distance) P-C4' energy: -146.574 flat angles C4'-P-C4' energy: -178.135 flat angles P-C4'-P energy: -127.811 tors. eta vs tors. theta energy: -228.116 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: 4 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -2673.898894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.898894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.898894 (E_RNA) where: Base-Base interactions energy: -1819.125 where: short stacking energy: -762.728 Base-Backbone interact. energy: -3.696 local terms energy: -851.078051 where: bonds (distance) C4'-P energy: -165.730 bonds (distance) P-C4' energy: -161.610 flat angles C4'-P-C4' energy: -176.304 flat angles P-C4'-P energy: -124.888 tors. eta vs tors. theta energy: -222.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -2572.225458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.225458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.225458 (E_RNA) where: Base-Base interactions energy: -1763.646 where: short stacking energy: -742.640 Base-Backbone interact. energy: -2.754 local terms energy: -805.826253 where: bonds (distance) C4'-P energy: -137.455 bonds (distance) P-C4' energy: -161.508 flat angles C4'-P-C4' energy: -173.088 flat angles P-C4'-P energy: -124.264 tors. eta vs tors. theta energy: -209.512 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: 1 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -2420.839398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.839398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.839398 (E_RNA) where: Base-Base interactions energy: -1659.986 where: short stacking energy: -708.820 Base-Backbone interact. energy: -2.761 local terms energy: -758.092299 where: bonds (distance) C4'-P energy: -159.235 bonds (distance) P-C4' energy: -132.373 flat angles C4'-P-C4' energy: -158.753 flat angles P-C4'-P energy: -103.420 tors. eta vs tors. theta energy: -204.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -2203.226851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.226851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.226851 (E_RNA) where: Base-Base interactions energy: -1489.358 where: short stacking energy: -659.816 Base-Backbone interact. energy: 0.614 local terms energy: -714.483263 where: bonds (distance) C4'-P energy: -130.939 bonds (distance) P-C4' energy: -145.901 flat angles C4'-P-C4' energy: -156.941 flat angles P-C4'-P energy: -88.485 tors. eta vs tors. theta energy: -192.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -1897.760702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.760702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.760702 (E_RNA) where: Base-Base interactions energy: -1246.276 where: short stacking energy: -557.329 Base-Backbone interact. energy: -5.235 local terms energy: -646.249472 where: bonds (distance) C4'-P energy: -116.145 bonds (distance) P-C4' energy: -132.839 flat angles C4'-P-C4' energy: -149.635 flat angles P-C4'-P energy: -97.571 tors. eta vs tors. theta energy: -150.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1630.571082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.571082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.571082 (E_RNA) where: Base-Base interactions energy: -1046.421 where: short stacking energy: -482.169 Base-Backbone interact. energy: -2.024 local terms energy: -582.126447 where: bonds (distance) C4'-P energy: -121.166 bonds (distance) P-C4' energy: -128.015 flat angles C4'-P-C4' energy: -145.258 flat angles P-C4'-P energy: -84.854 tors. eta vs tors. theta energy: -102.833 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: 8, replica: 3 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -1175.487633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.487633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.487633 (E_RNA) where: Base-Base interactions energy: -690.104 where: short stacking energy: -346.802 Base-Backbone interact. energy: 4.861 local terms energy: -490.244382 where: bonds (distance) C4'-P energy: -119.382 bonds (distance) P-C4' energy: -125.490 flat angles C4'-P-C4' energy: -131.321 flat angles P-C4'-P energy: -85.082 tors. eta vs tors. theta energy: -28.969 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: 7 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -800.648214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.648214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.648214 (E_RNA) where: Base-Base interactions energy: -334.109 where: short stacking energy: -214.028 Base-Backbone interact. energy: 1.728 local terms energy: -468.266779 where: bonds (distance) C4'-P energy: -136.927 bonds (distance) P-C4' energy: -138.159 flat angles C4'-P-C4' energy: -135.988 flat angles P-C4'-P energy: -75.760 tors. eta vs tors. theta energy: 18.567 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: 10, replica: 9 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -700.670596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.670596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.670596 (E_RNA) where: Base-Base interactions energy: -266.244 where: short stacking energy: -179.991 Base-Backbone interact. energy: 0.336 local terms energy: -434.763296 where: bonds (distance) C4'-P energy: -139.754 bonds (distance) P-C4' energy: -115.910 flat angles C4'-P-C4' energy: -122.298 flat angles P-C4'-P energy: -80.515 tors. eta vs tors. theta energy: 23.714 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: 2 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -2799.246086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.246086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.246086 (E_RNA) where: Base-Base interactions energy: -1944.747 where: short stacking energy: -791.207 Base-Backbone interact. energy: -2.630 local terms energy: -851.869595 where: bonds (distance) C4'-P energy: -159.431 bonds (distance) P-C4' energy: -166.160 flat angles C4'-P-C4' energy: -184.183 flat angles P-C4'-P energy: -120.151 tors. eta vs tors. theta energy: -221.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -2663.082718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.082718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.082718 (E_RNA) where: Base-Base interactions energy: -1829.094 where: short stacking energy: -768.631 Base-Backbone interact. energy: -6.202 local terms energy: -827.787447 where: bonds (distance) C4'-P energy: -157.463 bonds (distance) P-C4' energy: -157.416 flat angles C4'-P-C4' energy: -179.768 flat angles P-C4'-P energy: -113.890 tors. eta vs tors. theta energy: -219.250 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: 8 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -2576.544300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.544300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.544300 (E_RNA) where: Base-Base interactions energy: -1787.531 where: short stacking energy: -743.869 Base-Backbone interact. energy: -1.880 local terms energy: -787.132327 where: bonds (distance) C4'-P energy: -156.159 bonds (distance) P-C4' energy: -144.224 flat angles C4'-P-C4' energy: -175.637 flat angles P-C4'-P energy: -110.318 tors. eta vs tors. theta energy: -200.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -2375.452760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.452760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.452760 (E_RNA) where: Base-Base interactions energy: -1610.472 where: short stacking energy: -686.209 Base-Backbone interact. energy: 2.486 local terms energy: -767.466670 where: bonds (distance) C4'-P energy: -138.684 bonds (distance) P-C4' energy: -149.339 flat angles C4'-P-C4' energy: -151.097 flat angles P-C4'-P energy: -118.369 tors. eta vs tors. theta energy: -209.978 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: 6 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -2207.509313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.509313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.509313 (E_RNA) where: Base-Base interactions energy: -1491.564 where: short stacking energy: -643.925 Base-Backbone interact. energy: -2.992 local terms energy: -712.952846 where: bonds (distance) C4'-P energy: -130.579 bonds (distance) P-C4' energy: -142.674 flat angles C4'-P-C4' energy: -173.245 flat angles P-C4'-P energy: -89.547 tors. eta vs tors. theta energy: -176.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -1943.647036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.647036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.647036 (E_RNA) where: Base-Base interactions energy: -1321.543 where: short stacking energy: -609.710 Base-Backbone interact. energy: 3.133 local terms energy: -625.237267 where: bonds (distance) C4'-P energy: -112.193 bonds (distance) P-C4' energy: -129.001 flat angles C4'-P-C4' energy: -139.211 flat angles P-C4'-P energy: -84.684 tors. eta vs tors. theta energy: -160.147 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: 10 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1605.478848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.478848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.478848 (E_RNA) where: Base-Base interactions energy: -1018.675 where: short stacking energy: -456.929 Base-Backbone interact. energy: -3.537 local terms energy: -583.266400 where: bonds (distance) C4'-P energy: -136.598 bonds (distance) P-C4' energy: -135.706 flat angles C4'-P-C4' energy: -143.589 flat angles P-C4'-P energy: -72.810 tors. eta vs tors. theta energy: -94.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -1193.217250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.217250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.217250 (E_RNA) where: Base-Base interactions energy: -683.558 where: short stacking energy: -360.341 Base-Backbone interact. energy: -0.921 local terms energy: -508.738730 where: bonds (distance) C4'-P energy: -132.893 bonds (distance) P-C4' energy: -125.198 flat angles C4'-P-C4' energy: -133.254 flat angles P-C4'-P energy: -71.098 tors. eta vs tors. theta energy: -46.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -837.655161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.655161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.655161 (E_RNA) where: Base-Base interactions energy: -375.493 where: short stacking energy: -228.670 Base-Backbone interact. energy: -0.491 local terms energy: -461.670895 where: bonds (distance) C4'-P energy: -126.080 bonds (distance) P-C4' energy: -143.849 flat angles C4'-P-C4' energy: -127.055 flat angles P-C4'-P energy: -75.188 tors. eta vs tors. theta energy: 10.502 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: 9 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -734.743711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.743711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.743711 (E_RNA) where: Base-Base interactions energy: -324.164 where: short stacking energy: -197.601 Base-Backbone interact. energy: -3.190 local terms energy: -407.389966 where: bonds (distance) C4'-P energy: -124.500 bonds (distance) P-C4' energy: -136.995 flat angles C4'-P-C4' energy: -114.727 flat angles P-C4'-P energy: -43.251 tors. eta vs tors. theta energy: 12.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -2792.502724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.502724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.502724 (E_RNA) where: Base-Base interactions energy: -1954.362 where: short stacking energy: -799.300 Base-Backbone interact. energy: -4.111 local terms energy: -834.030473 where: bonds (distance) C4'-P energy: -156.698 bonds (distance) P-C4' energy: -152.354 flat angles C4'-P-C4' energy: -189.967 flat angles P-C4'-P energy: -118.389 tors. eta vs tors. theta energy: -216.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -2645.380846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.380846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.380846 (E_RNA) where: Base-Base interactions energy: -1803.280 where: short stacking energy: -733.350 Base-Backbone interact. energy: 2.772 local terms energy: -844.872383 where: bonds (distance) C4'-P energy: -171.461 bonds (distance) P-C4' energy: -167.384 flat angles C4'-P-C4' energy: -180.899 flat angles P-C4'-P energy: -124.559 tors. eta vs tors. theta energy: -200.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -2521.429204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.429204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.429204 (E_RNA) where: Base-Base interactions energy: -1745.163 where: short stacking energy: -745.895 Base-Backbone interact. energy: 3.235 local terms energy: -779.501307 where: bonds (distance) C4'-P energy: -139.179 bonds (distance) P-C4' energy: -149.624 flat angles C4'-P-C4' energy: -162.550 flat angles P-C4'-P energy: -118.058 tors. eta vs tors. theta energy: -210.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -2418.256832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.256832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.256832 (E_RNA) where: Base-Base interactions energy: -1621.833 where: short stacking energy: -705.688 Base-Backbone interact. energy: -2.850 local terms energy: -793.574095 where: bonds (distance) C4'-P energy: -151.783 bonds (distance) P-C4' energy: -145.438 flat angles C4'-P-C4' energy: -167.959 flat angles P-C4'-P energy: -106.529 tors. eta vs tors. theta energy: -221.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -2232.069351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.069351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.069351 (E_RNA) where: Base-Base interactions energy: -1487.708 where: short stacking energy: -649.442 Base-Backbone interact. energy: -0.898 local terms energy: -743.462523 where: bonds (distance) C4'-P energy: -150.551 bonds (distance) P-C4' energy: -151.203 flat angles C4'-P-C4' energy: -163.651 flat angles P-C4'-P energy: -96.496 tors. eta vs tors. theta energy: -181.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -1977.091589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.091589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.091589 (E_RNA) where: Base-Base interactions energy: -1289.836 where: short stacking energy: -588.977 Base-Backbone interact. energy: -1.362 local terms energy: -685.894008 where: bonds (distance) C4'-P energy: -138.550 bonds (distance) P-C4' energy: -147.612 flat angles C4'-P-C4' energy: -146.698 flat angles P-C4'-P energy: -101.347 tors. eta vs tors. theta energy: -151.686 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: 7, replica: 10 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1668.600046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.600046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.600046 (E_RNA) where: Base-Base interactions energy: -1089.024 where: short stacking energy: -518.092 Base-Backbone interact. energy: -2.101 local terms energy: -577.475319 where: bonds (distance) C4'-P energy: -130.742 bonds (distance) P-C4' energy: -114.967 flat angles C4'-P-C4' energy: -129.294 flat angles P-C4'-P energy: -99.043 tors. eta vs tors. theta energy: -103.429 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: 8, replica: 3 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -1174.685889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.685889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.685889 (E_RNA) where: Base-Base interactions energy: -659.712 where: short stacking energy: -347.691 Base-Backbone interact. energy: 3.261 local terms energy: -518.234233 where: bonds (distance) C4'-P energy: -133.202 bonds (distance) P-C4' energy: -133.548 flat angles C4'-P-C4' energy: -136.026 flat angles P-C4'-P energy: -74.006 tors. eta vs tors. theta energy: -41.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -858.630738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.630738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.630738 (E_RNA) where: Base-Base interactions energy: -393.991 where: short stacking energy: -220.546 Base-Backbone interact. energy: 0.144 local terms energy: -464.784146 where: bonds (distance) C4'-P energy: -129.608 bonds (distance) P-C4' energy: -155.649 flat angles C4'-P-C4' energy: -108.234 flat angles P-C4'-P energy: -69.181 tors. eta vs tors. theta energy: -2.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -704.399319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.399319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.399319 (E_RNA) where: Base-Base interactions energy: -289.148 where: short stacking energy: -189.039 Base-Backbone interact. energy: -1.212 local terms energy: -414.038927 where: bonds (distance) C4'-P energy: -117.320 bonds (distance) P-C4' energy: -134.587 flat angles C4'-P-C4' energy: -128.267 flat angles P-C4'-P energy: -61.932 tors. eta vs tors. theta energy: 28.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -2809.754697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.754697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.754697 (E_RNA) where: Base-Base interactions energy: -1940.589 where: short stacking energy: -819.231 Base-Backbone interact. energy: -2.174 local terms energy: -866.991695 where: bonds (distance) C4'-P energy: -166.556 bonds (distance) P-C4' energy: -166.690 flat angles C4'-P-C4' energy: -183.006 flat angles P-C4'-P energy: -125.469 tors. eta vs tors. theta energy: -225.271 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: 4 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -2671.013530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.013530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.013530 (E_RNA) where: Base-Base interactions energy: -1812.037 where: short stacking energy: -741.456 Base-Backbone interact. energy: -6.696 local terms energy: -852.280433 where: bonds (distance) C4'-P energy: -165.064 bonds (distance) P-C4' energy: -159.574 flat angles C4'-P-C4' energy: -174.627 flat angles P-C4'-P energy: -133.971 tors. eta vs tors. theta energy: -219.045 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: 3, replica: 8 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -2509.060842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.060842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.060842 (E_RNA) where: Base-Base interactions energy: -1708.971 where: short stacking energy: -693.678 Base-Backbone interact. energy: 0.351 local terms energy: -800.440283 where: bonds (distance) C4'-P energy: -151.034 bonds (distance) P-C4' energy: -154.271 flat angles C4'-P-C4' energy: -180.204 flat angles P-C4'-P energy: -114.925 tors. eta vs tors. theta energy: -200.006 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: 1 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -2362.685184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.685184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.685184 (E_RNA) where: Base-Base interactions energy: -1602.041 where: short stacking energy: -703.306 Base-Backbone interact. energy: -4.793 local terms energy: -755.850625 where: bonds (distance) C4'-P energy: -144.051 bonds (distance) P-C4' energy: -134.346 flat angles C4'-P-C4' energy: -169.683 flat angles P-C4'-P energy: -113.336 tors. eta vs tors. theta energy: -194.434 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: 6 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -2216.069562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.069562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.069562 (E_RNA) where: Base-Base interactions energy: -1496.673 where: short stacking energy: -659.277 Base-Backbone interact. energy: 2.894 local terms energy: -722.290987 where: bonds (distance) C4'-P energy: -146.962 bonds (distance) P-C4' energy: -143.293 flat angles C4'-P-C4' energy: -164.256 flat angles P-C4'-P energy: -80.657 tors. eta vs tors. theta energy: -187.123 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: 446 Temperature: 1.150000 Total energy: -1881.076544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.076544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.076544 (E_RNA) where: Base-Base interactions energy: -1211.675 where: short stacking energy: -562.452 Base-Backbone interact. energy: -1.211 local terms energy: -668.189796 where: bonds (distance) C4'-P energy: -126.605 bonds (distance) P-C4' energy: -144.403 flat angles C4'-P-C4' energy: -146.006 flat angles P-C4'-P energy: -99.704 tors. eta vs tors. theta energy: -151.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -1566.104700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.104700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.104700 (E_RNA) where: Base-Base interactions energy: -988.285 where: short stacking energy: -447.896 Base-Backbone interact. energy: -1.002 local terms energy: -576.817638 where: bonds (distance) C4'-P energy: -130.191 bonds (distance) P-C4' energy: -151.407 flat angles C4'-P-C4' energy: -127.612 flat angles P-C4'-P energy: -80.830 tors. eta vs tors. theta energy: -86.778 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: 8, replica: 3 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -1195.252205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.252205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.252205 (E_RNA) where: Base-Base interactions energy: -705.995 where: short stacking energy: -363.554 Base-Backbone interact. energy: 1.751 local terms energy: -491.008063 where: bonds (distance) C4'-P energy: -149.140 bonds (distance) P-C4' energy: -127.931 flat angles C4'-P-C4' energy: -116.522 flat angles P-C4'-P energy: -52.808 tors. eta vs tors. theta energy: -44.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -827.508311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.508311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.508311 (E_RNA) where: Base-Base interactions energy: -385.951 where: short stacking energy: -237.355 Base-Backbone interact. energy: 2.456 local terms energy: -444.013465 where: bonds (distance) C4'-P energy: -134.251 bonds (distance) P-C4' energy: -142.781 flat angles C4'-P-C4' energy: -99.625 flat angles P-C4'-P energy: -74.120 tors. eta vs tors. theta energy: 6.764 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: 10, replica: 9 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -626.322712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.322712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.322712 (E_RNA) where: Base-Base interactions energy: -230.750 where: short stacking energy: -192.107 Base-Backbone interact. energy: 4.506 local terms energy: -400.077967 where: bonds (distance) C4'-P energy: -135.572 bonds (distance) P-C4' energy: -126.778 flat angles C4'-P-C4' energy: -97.486 flat angles P-C4'-P energy: -64.619 tors. eta vs tors. theta energy: 24.377 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: 1, replica: 2 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -2778.668680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.668680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.668680 (E_RNA) where: Base-Base interactions energy: -1935.687 where: short stacking energy: -824.539 Base-Backbone interact. energy: -0.320 local terms energy: -842.662017 where: bonds (distance) C4'-P energy: -157.163 bonds (distance) P-C4' energy: -173.547 flat angles C4'-P-C4' energy: -179.472 flat angles P-C4'-P energy: -110.929 tors. eta vs tors. theta energy: -221.550 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: 2, replica: 4 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -2681.588229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.588229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.588229 (E_RNA) where: Base-Base interactions energy: -1872.813 where: short stacking energy: -775.400 Base-Backbone interact. energy: -7.469 local terms energy: -801.306272 where: bonds (distance) C4'-P energy: -153.888 bonds (distance) P-C4' energy: -143.530 flat angles C4'-P-C4' energy: -174.830 flat angles P-C4'-P energy: -108.811 tors. eta vs tors. theta energy: -220.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -2537.549347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.549347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.549347 (E_RNA) where: Base-Base interactions energy: -1722.623 where: short stacking energy: -704.803 Base-Backbone interact. energy: -3.260 local terms energy: -811.666156 where: bonds (distance) C4'-P energy: -149.188 bonds (distance) P-C4' energy: -167.197 flat angles C4'-P-C4' energy: -181.259 flat angles P-C4'-P energy: -112.743 tors. eta vs tors. theta energy: -201.280 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: 1 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -2401.082419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.082419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.082419 (E_RNA) where: Base-Base interactions energy: -1610.667 where: short stacking energy: -671.887 Base-Backbone interact. energy: -7.725 local terms energy: -782.690360 where: bonds (distance) C4'-P energy: -143.941 bonds (distance) P-C4' energy: -155.118 flat angles C4'-P-C4' energy: -167.782 flat angles P-C4'-P energy: -116.979 tors. eta vs tors. theta energy: -198.871 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: 5, replica: 6 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -2189.187082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.187082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.187082 (E_RNA) where: Base-Base interactions energy: -1460.929 where: short stacking energy: -628.350 Base-Backbone interact. energy: -0.613 local terms energy: -727.645239 where: bonds (distance) C4'-P energy: -130.745 bonds (distance) P-C4' energy: -145.082 flat angles C4'-P-C4' energy: -173.035 flat angles P-C4'-P energy: -110.180 tors. eta vs tors. theta energy: -168.604 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: 6, replica: 5 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -1887.322064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.322064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.322064 (E_RNA) where: Base-Base interactions energy: -1213.624 where: short stacking energy: -550.918 Base-Backbone interact. energy: -3.747 local terms energy: -669.951101 where: bonds (distance) C4'-P energy: -140.798 bonds (distance) P-C4' energy: -150.372 flat angles C4'-P-C4' energy: -143.707 flat angles P-C4'-P energy: -111.021 tors. eta vs tors. theta energy: -124.052 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: 10 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1637.853058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.853058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.853058 (E_RNA) where: Base-Base interactions energy: -1014.050 where: short stacking energy: -473.579 Base-Backbone interact. energy: 0.142 local terms energy: -623.945140 where: bonds (distance) C4'-P energy: -141.487 bonds (distance) P-C4' energy: -127.282 flat angles C4'-P-C4' energy: -146.234 flat angles P-C4'-P energy: -99.649 tors. eta vs tors. theta energy: -109.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -1297.462467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.462467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.462467 (E_RNA) where: Base-Base interactions energy: -779.076 where: short stacking energy: -413.717 Base-Backbone interact. energy: -1.230 local terms energy: -517.156673 where: bonds (distance) C4'-P energy: -125.152 bonds (distance) P-C4' energy: -123.221 flat angles C4'-P-C4' energy: -125.462 flat angles P-C4'-P energy: -75.577 tors. eta vs tors. theta energy: -67.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -886.051504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.051504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.051504 (E_RNA) where: Base-Base interactions energy: -423.663 where: short stacking energy: -237.509 Base-Backbone interact. energy: -0.615 local terms energy: -461.773492 where: bonds (distance) C4'-P energy: -130.364 bonds (distance) P-C4' energy: -147.864 flat angles C4'-P-C4' energy: -114.546 flat angles P-C4'-P energy: -76.938 tors. eta vs tors. theta energy: 7.939 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: 9 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -626.614017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.614017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.614017 (E_RNA) where: Base-Base interactions energy: -223.870 where: short stacking energy: -142.361 Base-Backbone interact. energy: -5.208 local terms energy: -397.536267 where: bonds (distance) C4'-P energy: -124.421 bonds (distance) P-C4' energy: -133.793 flat angles C4'-P-C4' energy: -114.021 flat angles P-C4'-P energy: -60.694 tors. eta vs tors. theta energy: 35.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -2781.489221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.489221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.489221 (E_RNA) where: Base-Base interactions energy: -1929.043 where: short stacking energy: -797.737 Base-Backbone interact. energy: 4.919 local terms energy: -857.364844 where: bonds (distance) C4'-P energy: -172.010 bonds (distance) P-C4' energy: -165.767 flat angles C4'-P-C4' energy: -189.709 flat angles P-C4'-P energy: -112.518 tors. eta vs tors. theta energy: -217.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -2694.821243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.821243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.821243 (E_RNA) where: Base-Base interactions energy: -1864.418 where: short stacking energy: -779.579 Base-Backbone interact. energy: -4.325 local terms energy: -826.078334 where: bonds (distance) C4'-P energy: -148.621 bonds (distance) P-C4' energy: -147.454 flat angles C4'-P-C4' energy: -186.911 flat angles P-C4'-P energy: -116.591 tors. eta vs tors. theta energy: -226.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -2577.019536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.019536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.019536 (E_RNA) where: Base-Base interactions energy: -1777.976 where: short stacking energy: -726.714 Base-Backbone interact. energy: -0.124 local terms energy: -798.920005 where: bonds (distance) C4'-P energy: -154.497 bonds (distance) P-C4' energy: -166.145 flat angles C4'-P-C4' energy: -157.946 flat angles P-C4'-P energy: -106.919 tors. eta vs tors. theta energy: -213.413 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: 1 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -2396.824048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.824048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.824048 (E_RNA) where: Base-Base interactions energy: -1623.555 where: short stacking energy: -707.622 Base-Backbone interact. energy: 0.194 local terms energy: -773.463069 where: bonds (distance) C4'-P energy: -134.428 bonds (distance) P-C4' energy: -139.897 flat angles C4'-P-C4' energy: -184.189 flat angles P-C4'-P energy: -112.377 tors. eta vs tors. theta energy: -202.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -2156.221925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.221925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.221925 (E_RNA) where: Base-Base interactions energy: -1438.402 where: short stacking energy: -632.311 Base-Backbone interact. energy: -1.960 local terms energy: -715.860086 where: bonds (distance) C4'-P energy: -142.315 bonds (distance) P-C4' energy: -149.560 flat angles C4'-P-C4' energy: -153.314 flat angles P-C4'-P energy: -111.210 tors. eta vs tors. theta energy: -159.461 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: 6, replica: 5 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -1968.482189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.482189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.482189 (E_RNA) where: Base-Base interactions energy: -1291.709 where: short stacking energy: -577.887 Base-Backbone interact. energy: 1.935 local terms energy: -678.708427 where: bonds (distance) C4'-P energy: -138.374 bonds (distance) P-C4' energy: -161.888 flat angles C4'-P-C4' energy: -138.365 flat angles P-C4'-P energy: -98.568 tors. eta vs tors. theta energy: -141.513 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: 10 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1628.064296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.064296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.064296 (E_RNA) where: Base-Base interactions energy: -1022.502 where: short stacking energy: -470.423 Base-Backbone interact. energy: -1.009 local terms energy: -604.553237 where: bonds (distance) C4'-P energy: -146.323 bonds (distance) P-C4' energy: -131.832 flat angles C4'-P-C4' energy: -136.380 flat angles P-C4'-P energy: -89.369 tors. eta vs tors. theta energy: -100.649 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: 8, replica: 3 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -1303.530443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.530443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.530443 (E_RNA) where: Base-Base interactions energy: -793.416 where: short stacking energy: -384.817 Base-Backbone interact. energy: 2.939 local terms energy: -513.053434 where: bonds (distance) C4'-P energy: -114.132 bonds (distance) P-C4' energy: -142.880 flat angles C4'-P-C4' energy: -130.881 flat angles P-C4'-P energy: -68.605 tors. eta vs tors. theta energy: -56.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -825.443901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.443901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.443901 (E_RNA) where: Base-Base interactions energy: -371.998 where: short stacking energy: -253.018 Base-Backbone interact. energy: 0.289 local terms energy: -453.735228 where: bonds (distance) C4'-P energy: -123.160 bonds (distance) P-C4' energy: -125.529 flat angles C4'-P-C4' energy: -124.944 flat angles P-C4'-P energy: -73.140 tors. eta vs tors. theta energy: -6.963 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: 10, replica: 9 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -609.773124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.773124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.773124 (E_RNA) where: Base-Base interactions energy: -218.327 where: short stacking energy: -150.883 Base-Backbone interact. energy: -3.820 local terms energy: -387.625728 where: bonds (distance) C4'-P energy: -122.363 bonds (distance) P-C4' energy: -143.705 flat angles C4'-P-C4' energy: -85.189 flat angles P-C4'-P energy: -68.373 tors. eta vs tors. theta energy: 32.005 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: 2 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -2728.613478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.613478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.613478 (E_RNA) where: Base-Base interactions energy: -1887.940 where: short stacking energy: -769.466 Base-Backbone interact. energy: -0.943 local terms energy: -839.730403 where: bonds (distance) C4'-P energy: -158.824 bonds (distance) P-C4' energy: -159.678 flat angles C4'-P-C4' energy: -189.680 flat angles P-C4'-P energy: -114.936 tors. eta vs tors. theta energy: -216.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -2706.377062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.377062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.377062 (E_RNA) where: Base-Base interactions energy: -1863.692 where: short stacking energy: -753.836 Base-Backbone interact. energy: -7.161 local terms energy: -835.523583 where: bonds (distance) C4'-P energy: -157.120 bonds (distance) P-C4' energy: -152.178 flat angles C4'-P-C4' energy: -184.713 flat angles P-C4'-P energy: -127.773 tors. eta vs tors. theta energy: -213.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -2487.742742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.742742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.742742 (E_RNA) where: Base-Base interactions energy: -1701.874 where: short stacking energy: -701.602 Base-Backbone interact. energy: -4.576 local terms energy: -781.293483 where: bonds (distance) C4'-P energy: -158.196 bonds (distance) P-C4' energy: -156.258 flat angles C4'-P-C4' energy: -159.663 flat angles P-C4'-P energy: -111.577 tors. eta vs tors. theta energy: -195.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -2411.022196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.022196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.022196 (E_RNA) where: Base-Base interactions energy: -1611.047 where: short stacking energy: -701.549 Base-Backbone interact. energy: -0.260 local terms energy: -799.715349 where: bonds (distance) C4'-P energy: -160.263 bonds (distance) P-C4' energy: -148.471 flat angles C4'-P-C4' energy: -170.741 flat angles P-C4'-P energy: -106.301 tors. eta vs tors. theta energy: -213.940 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: 6 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -2194.761003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.761003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.761003 (E_RNA) where: Base-Base interactions energy: -1461.401 where: short stacking energy: -651.873 Base-Backbone interact. energy: -2.890 local terms energy: -730.470193 where: bonds (distance) C4'-P energy: -127.252 bonds (distance) P-C4' energy: -153.516 flat angles C4'-P-C4' energy: -168.935 flat angles P-C4'-P energy: -111.002 tors. eta vs tors. theta energy: -169.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -1935.628466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.628466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.628466 (E_RNA) where: Base-Base interactions energy: -1258.797 where: short stacking energy: -566.332 Base-Backbone interact. energy: 5.540 local terms energy: -682.372371 where: bonds (distance) C4'-P energy: -134.298 bonds (distance) P-C4' energy: -145.890 flat angles C4'-P-C4' energy: -154.997 flat angles P-C4'-P energy: -94.303 tors. eta vs tors. theta energy: -152.883 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: 10 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -1558.452595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.452595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.452595 (E_RNA) where: Base-Base interactions energy: -979.572 where: short stacking energy: -468.468 Base-Backbone interact. energy: -2.325 local terms energy: -576.555318 where: bonds (distance) C4'-P energy: -106.476 bonds (distance) P-C4' energy: -145.556 flat angles C4'-P-C4' energy: -138.030 flat angles P-C4'-P energy: -78.305 tors. eta vs tors. theta energy: -108.188 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: 8, replica: 3 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -1303.684102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.684102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.684102 (E_RNA) where: Base-Base interactions energy: -776.952 where: short stacking energy: -409.018 Base-Backbone interact. energy: -3.464 local terms energy: -523.268004 where: bonds (distance) C4'-P energy: -141.460 bonds (distance) P-C4' energy: -128.087 flat angles C4'-P-C4' energy: -120.984 flat angles P-C4'-P energy: -85.700 tors. eta vs tors. theta energy: -47.036 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: 9, replica: 7 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -789.416151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.416151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.416151 (E_RNA) where: Base-Base interactions energy: -355.848 where: short stacking energy: -233.972 Base-Backbone interact. energy: -0.362 local terms energy: -433.206284 where: bonds (distance) C4'-P energy: -128.789 bonds (distance) P-C4' energy: -140.930 flat angles C4'-P-C4' energy: -92.592 flat angles P-C4'-P energy: -66.908 tors. eta vs tors. theta energy: -3.989 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: 10, replica: 9 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -592.131516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.131516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.131516 (E_RNA) where: Base-Base interactions energy: -216.687 where: short stacking energy: -182.343 Base-Backbone interact. energy: 1.314 local terms energy: -376.758430 where: bonds (distance) C4'-P energy: -149.505 bonds (distance) P-C4' energy: -134.617 flat angles C4'-P-C4' energy: -93.221 flat angles P-C4'-P energy: -30.376 tors. eta vs tors. theta energy: 30.959 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: 2 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -2769.827059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.827059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.827059 (E_RNA) where: Base-Base interactions energy: -1962.960 where: short stacking energy: -811.123 Base-Backbone interact. energy: -4.051 local terms energy: -802.816371 where: bonds (distance) C4'-P energy: -142.859 bonds (distance) P-C4' energy: -150.479 flat angles C4'-P-C4' energy: -180.701 flat angles P-C4'-P energy: -111.907 tors. eta vs tors. theta energy: -216.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -2746.849770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.849770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.849770 (E_RNA) where: Base-Base interactions energy: -1909.619 where: short stacking energy: -767.504 Base-Backbone interact. energy: -1.192 local terms energy: -836.038307 where: bonds (distance) C4'-P energy: -150.970 bonds (distance) P-C4' energy: -176.231 flat angles C4'-P-C4' energy: -175.765 flat angles P-C4'-P energy: -117.567 tors. eta vs tors. theta energy: -215.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -2495.822569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.822569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.822569 (E_RNA) where: Base-Base interactions energy: -1741.398 where: short stacking energy: -722.488 Base-Backbone interact. energy: 4.314 local terms energy: -758.738698 where: bonds (distance) C4'-P energy: -135.459 bonds (distance) P-C4' energy: -147.673 flat angles C4'-P-C4' energy: -172.662 flat angles P-C4'-P energy: -104.213 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: 4, replica: 1 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -2467.446039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.446039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.446039 (E_RNA) where: Base-Base interactions energy: -1666.168 where: short stacking energy: -697.323 Base-Backbone interact. energy: -0.977 local terms energy: -800.301654 where: bonds (distance) C4'-P energy: -148.058 bonds (distance) P-C4' energy: -161.445 flat angles C4'-P-C4' energy: -177.072 flat angles P-C4'-P energy: -106.866 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: 5, replica: 6 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -2238.102372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.102372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.102372 (E_RNA) where: Base-Base interactions energy: -1478.136 where: short stacking energy: -660.067 Base-Backbone interact. energy: 3.423 local terms energy: -763.389499 where: bonds (distance) C4'-P energy: -149.537 bonds (distance) P-C4' energy: -152.545 flat angles C4'-P-C4' energy: -158.918 flat angles P-C4'-P energy: -111.321 tors. eta vs tors. theta energy: -191.068 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: 450 Temperature: 1.150000 Total energy: -1920.833254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.833254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.833254 (E_RNA) where: Base-Base interactions energy: -1212.269 where: short stacking energy: -558.516 Base-Backbone interact. energy: -6.533 local terms energy: -702.031465 where: bonds (distance) C4'-P energy: -136.573 bonds (distance) P-C4' energy: -151.292 flat angles C4'-P-C4' energy: -158.037 flat angles P-C4'-P energy: -114.516 tors. eta vs tors. theta energy: -141.614 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: 10 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1597.915945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.915945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.915945 (E_RNA) where: Base-Base interactions energy: -1017.030 where: short stacking energy: -476.504 Base-Backbone interact. energy: 7.377 local terms energy: -588.262569 where: bonds (distance) C4'-P energy: -137.645 bonds (distance) P-C4' energy: -134.671 flat angles C4'-P-C4' energy: -135.538 flat angles P-C4'-P energy: -86.505 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: 8, replica: 3 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -1263.413450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.413450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.413450 (E_RNA) where: Base-Base interactions energy: -751.358 where: short stacking energy: -350.456 Base-Backbone interact. energy: -0.829 local terms energy: -511.225844 where: bonds (distance) C4'-P energy: -113.357 bonds (distance) P-C4' energy: -135.535 flat angles C4'-P-C4' energy: -138.361 flat angles P-C4'-P energy: -76.872 tors. eta vs tors. theta energy: -47.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -794.633205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.633205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.633205 (E_RNA) where: Base-Base interactions energy: -359.217 where: short stacking energy: -208.260 Base-Backbone interact. energy: -1.774 local terms energy: -433.641343 where: bonds (distance) C4'-P energy: -131.471 bonds (distance) P-C4' energy: -152.661 flat angles C4'-P-C4' energy: -100.144 flat angles P-C4'-P energy: -69.957 tors. eta vs tors. theta energy: 20.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -624.025350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.025350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.025350 (E_RNA) where: Base-Base interactions energy: -232.121 where: short stacking energy: -182.523 Base-Backbone interact. energy: 5.760 local terms energy: -397.664626 where: bonds (distance) C4'-P energy: -126.410 bonds (distance) P-C4' energy: -139.631 flat angles C4'-P-C4' energy: -103.415 flat angles P-C4'-P energy: -66.659 tors. eta vs tors. theta energy: 38.450 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: 2 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -2776.243808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.243808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.243808 (E_RNA) where: Base-Base interactions energy: -1931.003 where: short stacking energy: -769.615 Base-Backbone interact. energy: -1.222 local terms energy: -844.018236 where: bonds (distance) C4'-P energy: -168.610 bonds (distance) P-C4' energy: -170.488 flat angles C4'-P-C4' energy: -166.574 flat angles P-C4'-P energy: -119.557 tors. eta vs tors. theta energy: -218.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -2674.450202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.450202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.450202 (E_RNA) where: Base-Base interactions energy: -1845.248 where: short stacking energy: -764.462 Base-Backbone interact. energy: 0.073 local terms energy: -829.275196 where: bonds (distance) C4'-P energy: -141.358 bonds (distance) P-C4' energy: -170.740 flat angles C4'-P-C4' energy: -166.783 flat angles P-C4'-P energy: -122.983 tors. eta vs tors. theta energy: -227.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -2517.843457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.843457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.843457 (E_RNA) where: Base-Base interactions energy: -1735.955 where: short stacking energy: -726.096 Base-Backbone interact. energy: -0.433 local terms energy: -781.455579 where: bonds (distance) C4'-P energy: -152.857 bonds (distance) P-C4' energy: -154.438 flat angles C4'-P-C4' energy: -159.324 flat angles P-C4'-P energy: -117.719 tors. eta vs tors. theta energy: -197.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -2449.316601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.316601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.316601 (E_RNA) where: Base-Base interactions energy: -1666.428 where: short stacking energy: -706.257 Base-Backbone interact. energy: -6.482 local terms energy: -776.406622 where: bonds (distance) C4'-P energy: -141.746 bonds (distance) P-C4' energy: -145.348 flat angles C4'-P-C4' energy: -166.373 flat angles P-C4'-P energy: -105.657 tors. eta vs tors. theta energy: -217.282 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: 6 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -2245.255277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.255277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.255277 (E_RNA) where: Base-Base interactions energy: -1521.397 where: short stacking energy: -666.994 Base-Backbone interact. energy: -0.087 local terms energy: -723.770894 where: bonds (distance) C4'-P energy: -144.352 bonds (distance) P-C4' energy: -141.889 flat angles C4'-P-C4' energy: -155.414 flat angles P-C4'-P energy: -102.839 tors. eta vs tors. theta energy: -179.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -1992.174548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.174548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.174548 (E_RNA) where: Base-Base interactions energy: -1299.384 where: short stacking energy: -595.141 Base-Backbone interact. energy: -1.699 local terms energy: -691.091553 where: bonds (distance) C4'-P energy: -130.264 bonds (distance) P-C4' energy: -134.562 flat angles C4'-P-C4' energy: -156.218 flat angles P-C4'-P energy: -109.986 tors. eta vs tors. theta energy: -160.062 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: 7, replica: 10 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1632.310558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.310558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.310558 (E_RNA) where: Base-Base interactions energy: -1035.486 where: short stacking energy: -481.647 Base-Backbone interact. energy: -3.888 local terms energy: -592.936971 where: bonds (distance) C4'-P energy: -117.735 bonds (distance) P-C4' energy: -141.554 flat angles C4'-P-C4' energy: -127.259 flat angles P-C4'-P energy: -93.619 tors. eta vs tors. theta energy: -112.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -1330.039930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.039930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.039930 (E_RNA) where: Base-Base interactions energy: -822.822 where: short stacking energy: -392.840 Base-Backbone interact. energy: 0.597 local terms energy: -507.815152 where: bonds (distance) C4'-P energy: -133.521 bonds (distance) P-C4' energy: -116.532 flat angles C4'-P-C4' energy: -139.580 flat angles P-C4'-P energy: -72.592 tors. eta vs tors. theta energy: -45.589 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: 9, replica: 7 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -809.723781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.723781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.723781 (E_RNA) where: Base-Base interactions energy: -380.755 where: short stacking energy: -215.810 Base-Backbone interact. energy: 3.541 local terms energy: -432.509746 where: bonds (distance) C4'-P energy: -117.810 bonds (distance) P-C4' energy: -123.758 flat angles C4'-P-C4' energy: -130.669 flat angles P-C4'-P energy: -64.052 tors. eta vs tors. theta energy: 3.779 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: 9 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -607.505848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.505848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.505848 (E_RNA) where: Base-Base interactions energy: -217.849 where: short stacking energy: -194.931 Base-Backbone interact. energy: 6.894 local terms energy: -396.551063 where: bonds (distance) C4'-P energy: -126.947 bonds (distance) P-C4' energy: -136.850 flat angles C4'-P-C4' energy: -98.912 flat angles P-C4'-P energy: -53.939 tors. eta vs tors. theta energy: 20.098 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: 1, replica: 4 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -2750.933823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.933823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.933823 (E_RNA) where: Base-Base interactions energy: -1886.437 where: short stacking energy: -773.437 Base-Backbone interact. energy: -3.509 local terms energy: -860.988195 where: bonds (distance) C4'-P energy: -161.465 bonds (distance) P-C4' energy: -172.539 flat angles C4'-P-C4' energy: -173.417 flat angles P-C4'-P energy: -130.833 tors. eta vs tors. theta energy: -222.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -2725.884413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.884413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.884413 (E_RNA) where: Base-Base interactions energy: -1889.008 where: short stacking energy: -763.122 Base-Backbone interact. energy: 4.052 local terms energy: -840.927572 where: bonds (distance) C4'-P energy: -166.510 bonds (distance) P-C4' energy: -164.003 flat angles C4'-P-C4' energy: -177.824 flat angles P-C4'-P energy: -123.105 tors. eta vs tors. theta energy: -209.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -2528.660216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.660216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.660216 (E_RNA) where: Base-Base interactions energy: -1720.891 where: short stacking energy: -704.672 Base-Backbone interact. energy: -2.569 local terms energy: -805.199969 where: bonds (distance) C4'-P energy: -160.961 bonds (distance) P-C4' energy: -158.321 flat angles C4'-P-C4' energy: -172.309 flat angles P-C4'-P energy: -106.766 tors. eta vs tors. theta energy: -206.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -2445.305683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.305683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.305683 (E_RNA) where: Base-Base interactions energy: -1666.261 where: short stacking energy: -695.155 Base-Backbone interact. energy: -7.048 local terms energy: -771.997375 where: bonds (distance) C4'-P energy: -134.685 bonds (distance) P-C4' energy: -169.615 flat angles C4'-P-C4' energy: -168.829 flat angles P-C4'-P energy: -110.102 tors. eta vs tors. theta energy: -188.765 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: 5, replica: 6 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -2211.771640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.771640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.771640 (E_RNA) where: Base-Base interactions energy: -1483.865 where: short stacking energy: -650.747 Base-Backbone interact. energy: -4.395 local terms energy: -723.510950 where: bonds (distance) C4'-P energy: -114.202 bonds (distance) P-C4' energy: -161.102 flat angles C4'-P-C4' energy: -167.643 flat angles P-C4'-P energy: -95.296 tors. eta vs tors. theta energy: -185.269 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: 5 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -2025.149993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.149993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.149993 (E_RNA) where: Base-Base interactions energy: -1338.669 where: short stacking energy: -570.861 Base-Backbone interact. energy: 0.401 local terms energy: -686.882161 where: bonds (distance) C4'-P energy: -132.780 bonds (distance) P-C4' energy: -130.094 flat angles C4'-P-C4' energy: -152.138 flat angles P-C4'-P energy: -98.129 tors. eta vs tors. theta energy: -173.741 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: 7, replica: 10 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -1583.992380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.992380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.992380 (E_RNA) where: Base-Base interactions energy: -990.939 where: short stacking energy: -457.199 Base-Backbone interact. energy: 3.192 local terms energy: -596.245193 where: bonds (distance) C4'-P energy: -130.599 bonds (distance) P-C4' energy: -131.994 flat angles C4'-P-C4' energy: -143.913 flat angles P-C4'-P energy: -99.874 tors. eta vs tors. theta energy: -89.865 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: 3 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -1264.642893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.642893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.642893 (E_RNA) where: Base-Base interactions energy: -730.055 where: short stacking energy: -355.776 Base-Backbone interact. energy: 2.452 local terms energy: -537.040410 where: bonds (distance) C4'-P energy: -141.308 bonds (distance) P-C4' energy: -136.972 flat angles C4'-P-C4' energy: -149.509 flat angles P-C4'-P energy: -73.937 tors. eta vs tors. theta energy: -35.313 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: 7 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -811.387968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.387968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.387968 (E_RNA) where: Base-Base interactions energy: -353.074 where: short stacking energy: -240.728 Base-Backbone interact. energy: 0.079 local terms energy: -458.393257 where: bonds (distance) C4'-P energy: -125.985 bonds (distance) P-C4' energy: -134.701 flat angles C4'-P-C4' energy: -110.283 flat angles P-C4'-P energy: -70.789 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: 9 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -662.576146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.576146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.576146 (E_RNA) where: Base-Base interactions energy: -236.738 where: short stacking energy: -168.737 Base-Backbone interact. energy: -1.176 local terms energy: -424.662229 where: bonds (distance) C4'-P energy: -132.231 bonds (distance) P-C4' energy: -126.310 flat angles C4'-P-C4' energy: -105.192 flat angles P-C4'-P energy: -80.869 tors. eta vs tors. theta energy: 19.940 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: 1, replica: 4 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -2723.795498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.795498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.795498 (E_RNA) where: Base-Base interactions energy: -1850.917 where: short stacking energy: -791.768 Base-Backbone interact. energy: -4.726 local terms energy: -868.152886 where: bonds (distance) C4'-P energy: -161.420 bonds (distance) P-C4' energy: -169.198 flat angles C4'-P-C4' energy: -180.993 flat angles P-C4'-P energy: -126.699 tors. eta vs tors. theta energy: -229.844 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: 2, replica: 2 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -2701.812296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.812296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.812296 (E_RNA) where: Base-Base interactions energy: -1884.457 where: short stacking energy: -785.254 Base-Backbone interact. energy: -4.709 local terms energy: -812.646614 where: bonds (distance) C4'-P energy: -157.765 bonds (distance) P-C4' energy: -148.403 flat angles C4'-P-C4' energy: -177.548 flat angles P-C4'-P energy: -109.599 tors. eta vs tors. theta energy: -219.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -2504.115883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.115883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.115883 (E_RNA) where: Base-Base interactions energy: -1733.690 where: short stacking energy: -725.357 Base-Backbone interact. energy: 0.216 local terms energy: -770.642552 where: bonds (distance) C4'-P energy: -152.936 bonds (distance) P-C4' energy: -152.010 flat angles C4'-P-C4' energy: -157.183 flat angles P-C4'-P energy: -102.938 tors. eta vs tors. theta energy: -205.575 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: 4, replica: 8 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -2432.253509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.253509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.253509 (E_RNA) where: Base-Base interactions energy: -1649.712 where: short stacking energy: -679.006 Base-Backbone interact. energy: -1.988 local terms energy: -780.553366 where: bonds (distance) C4'-P energy: -152.922 bonds (distance) P-C4' energy: -131.529 flat angles C4'-P-C4' energy: -170.369 flat angles P-C4'-P energy: -109.596 tors. eta vs tors. theta energy: -216.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -2242.950763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.950763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.950763 (E_RNA) where: Base-Base interactions energy: -1507.702 where: short stacking energy: -651.555 Base-Backbone interact. energy: 0.165 local terms energy: -735.413818 where: bonds (distance) C4'-P energy: -141.201 bonds (distance) P-C4' energy: -153.892 flat angles C4'-P-C4' energy: -155.980 flat angles P-C4'-P energy: -101.153 tors. eta vs tors. theta energy: -183.188 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: 453 Temperature: 1.150000 Total energy: -1978.272470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.272470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.272470 (E_RNA) where: Base-Base interactions energy: -1288.055 where: short stacking energy: -559.857 Base-Backbone interact. energy: 8.896 local terms energy: -699.113072 where: bonds (distance) C4'-P energy: -133.386 bonds (distance) P-C4' energy: -154.613 flat angles C4'-P-C4' energy: -151.302 flat angles P-C4'-P energy: -112.678 tors. eta vs tors. theta energy: -147.133 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: 7, replica: 10 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -1584.639733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.639733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.639733 (E_RNA) where: Base-Base interactions energy: -987.307 where: short stacking energy: -501.306 Base-Backbone interact. energy: -0.882 local terms energy: -596.450609 where: bonds (distance) C4'-P energy: -123.265 bonds (distance) P-C4' energy: -138.217 flat angles C4'-P-C4' energy: -142.343 flat angles P-C4'-P energy: -90.614 tors. eta vs tors. theta energy: -102.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -1316.967582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.967582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.967582 (E_RNA) where: Base-Base interactions energy: -782.134 where: short stacking energy: -354.754 Base-Backbone interact. energy: -2.543 local terms energy: -532.290743 where: bonds (distance) C4'-P energy: -145.651 bonds (distance) P-C4' energy: -126.112 flat angles C4'-P-C4' energy: -133.439 flat angles P-C4'-P energy: -74.651 tors. eta vs tors. theta energy: -52.438 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: 7 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -818.467118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.467118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.467118 (E_RNA) where: Base-Base interactions energy: -400.435 where: short stacking energy: -248.124 Base-Backbone interact. energy: -1.320 local terms energy: -416.712048 where: bonds (distance) C4'-P energy: -118.993 bonds (distance) P-C4' energy: -140.113 flat angles C4'-P-C4' energy: -93.654 flat angles P-C4'-P energy: -67.940 tors. eta vs tors. theta energy: 3.989 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: 10, replica: 9 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -596.799811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.799811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.799811 (E_RNA) where: Base-Base interactions energy: -208.279 where: short stacking energy: -155.259 Base-Backbone interact. energy: 0.196 local terms energy: -388.716910 where: bonds (distance) C4'-P energy: -110.693 bonds (distance) P-C4' energy: -141.133 flat angles C4'-P-C4' energy: -114.500 flat angles P-C4'-P energy: -44.466 tors. eta vs tors. theta energy: 22.075 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: 1, replica: 2 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -2750.814661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.814661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.814661 (E_RNA) where: Base-Base interactions energy: -1919.929 where: short stacking energy: -802.166 Base-Backbone interact. energy: 2.439 local terms energy: -833.324431 where: bonds (distance) C4'-P energy: -156.034 bonds (distance) P-C4' energy: -162.406 flat angles C4'-P-C4' energy: -179.267 flat angles P-C4'-P energy: -110.995 tors. eta vs tors. theta energy: -224.623 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: 4 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -2698.304058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.304058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.304058 (E_RNA) where: Base-Base interactions energy: -1847.457 where: short stacking energy: -760.935 Base-Backbone interact. energy: -3.726 local terms energy: -847.121340 where: bonds (distance) C4'-P energy: -139.222 bonds (distance) P-C4' energy: -177.583 flat angles C4'-P-C4' energy: -184.641 flat angles P-C4'-P energy: -117.996 tors. eta vs tors. theta energy: -227.679 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: 1 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -2530.273469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.273469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.273469 (E_RNA) where: Base-Base interactions energy: -1717.302 where: short stacking energy: -731.611 Base-Backbone interact. energy: -4.660 local terms energy: -808.311366 where: bonds (distance) C4'-P energy: -144.226 bonds (distance) P-C4' energy: -163.118 flat angles C4'-P-C4' energy: -164.203 flat angles P-C4'-P energy: -120.207 tors. eta vs tors. theta energy: -216.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -2460.300843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.300843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.300843 (E_RNA) where: Base-Base interactions energy: -1683.044 where: short stacking energy: -699.782 Base-Backbone interact. energy: -1.541 local terms energy: -775.715347 where: bonds (distance) C4'-P energy: -140.651 bonds (distance) P-C4' energy: -159.899 flat angles C4'-P-C4' energy: -164.950 flat angles P-C4'-P energy: -107.869 tors. eta vs tors. theta energy: -202.346 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: 6 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -2257.899772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.899772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.899772 (E_RNA) where: Base-Base interactions energy: -1534.153 where: short stacking energy: -652.107 Base-Backbone interact. energy: -2.182 local terms energy: -721.564888 where: bonds (distance) C4'-P energy: -145.514 bonds (distance) P-C4' energy: -137.051 flat angles C4'-P-C4' energy: -162.384 flat angles P-C4'-P energy: -87.910 tors. eta vs tors. theta energy: -188.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -1886.393755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.393755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.393755 (E_RNA) where: Base-Base interactions energy: -1199.826 where: short stacking energy: -566.667 Base-Backbone interact. energy: -3.749 local terms energy: -682.818978 where: bonds (distance) C4'-P energy: -124.061 bonds (distance) P-C4' energy: -154.319 flat angles C4'-P-C4' energy: -157.466 flat angles P-C4'-P energy: -104.261 tors. eta vs tors. theta energy: -142.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -1648.610778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.610778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.610778 (E_RNA) where: Base-Base interactions energy: -1026.662 where: short stacking energy: -486.048 Base-Backbone interact. energy: -0.221 local terms energy: -621.727534 where: bonds (distance) C4'-P energy: -129.692 bonds (distance) P-C4' energy: -148.355 flat angles C4'-P-C4' energy: -143.904 flat angles P-C4'-P energy: -94.281 tors. eta vs tors. theta energy: -105.496 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: 3 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -1244.386479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.386479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.386479 (E_RNA) where: Base-Base interactions energy: -733.814 where: short stacking energy: -327.597 Base-Backbone interact. energy: -4.158 local terms energy: -506.414788 where: bonds (distance) C4'-P energy: -136.280 bonds (distance) P-C4' energy: -139.501 flat angles C4'-P-C4' energy: -130.640 flat angles P-C4'-P energy: -78.474 tors. eta vs tors. theta energy: -21.519 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: 7 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -783.718542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.718542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.718542 (E_RNA) where: Base-Base interactions energy: -346.630 where: short stacking energy: -219.727 Base-Backbone interact. energy: 3.676 local terms energy: -440.764234 where: bonds (distance) C4'-P energy: -122.629 bonds (distance) P-C4' energy: -135.270 flat angles C4'-P-C4' energy: -127.956 flat angles P-C4'-P energy: -73.392 tors. eta vs tors. theta energy: 18.483 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: 10, replica: 9 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -608.077804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.077804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.077804 (E_RNA) where: Base-Base interactions energy: -208.921 where: short stacking energy: -161.200 Base-Backbone interact. energy: 0.909 local terms energy: -400.065501 where: bonds (distance) C4'-P energy: -119.611 bonds (distance) P-C4' energy: -125.329 flat angles C4'-P-C4' energy: -109.227 flat angles P-C4'-P energy: -64.469 tors. eta vs tors. theta energy: 18.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -2730.941431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.941431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.941431 (E_RNA) where: Base-Base interactions energy: -1887.028 where: short stacking energy: -773.352 Base-Backbone interact. energy: 4.915 local terms energy: -848.827913 where: bonds (distance) C4'-P energy: -161.966 bonds (distance) P-C4' energy: -150.803 flat angles C4'-P-C4' energy: -187.722 flat angles P-C4'-P energy: -122.331 tors. eta vs tors. theta energy: -226.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -2679.399057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.399057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.399057 (E_RNA) where: Base-Base interactions energy: -1853.826 where: short stacking energy: -780.143 Base-Backbone interact. energy: -7.288 local terms energy: -818.284881 where: bonds (distance) C4'-P energy: -145.661 bonds (distance) P-C4' energy: -147.044 flat angles C4'-P-C4' energy: -175.816 flat angles P-C4'-P energy: -121.215 tors. eta vs tors. theta energy: -228.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -2479.250299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.250299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.250299 (E_RNA) where: Base-Base interactions energy: -1695.399 where: short stacking energy: -713.931 Base-Backbone interact. energy: -1.807 local terms energy: -782.044915 where: bonds (distance) C4'-P energy: -148.289 bonds (distance) P-C4' energy: -166.361 flat angles C4'-P-C4' energy: -167.733 flat angles P-C4'-P energy: -96.241 tors. eta vs tors. theta energy: -203.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -2485.636763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.636763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.636763 (E_RNA) where: Base-Base interactions energy: -1716.537 where: short stacking energy: -710.850 Base-Backbone interact. energy: -7.432 local terms energy: -761.668348 where: bonds (distance) C4'-P energy: -130.630 bonds (distance) P-C4' energy: -149.006 flat angles C4'-P-C4' energy: -172.000 flat angles P-C4'-P energy: -103.486 tors. eta vs tors. theta energy: -206.547 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: 5, replica: 6 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -2237.335190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.335190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.335190 (E_RNA) where: Base-Base interactions energy: -1496.397 where: short stacking energy: -647.803 Base-Backbone interact. energy: -1.162 local terms energy: -739.776034 where: bonds (distance) C4'-P energy: -165.850 bonds (distance) P-C4' energy: -137.263 flat angles C4'-P-C4' energy: -167.358 flat angles P-C4'-P energy: -96.306 tors. eta vs tors. theta energy: -172.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -1878.685184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.685184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.685184 (E_RNA) where: Base-Base interactions energy: -1212.217 where: short stacking energy: -554.188 Base-Backbone interact. energy: -0.966 local terms energy: -665.501782 where: bonds (distance) C4'-P energy: -147.894 bonds (distance) P-C4' energy: -134.284 flat angles C4'-P-C4' energy: -152.693 flat angles P-C4'-P energy: -86.980 tors. eta vs tors. theta energy: -143.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1706.195759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.195759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.195759 (E_RNA) where: Base-Base interactions energy: -1103.731 where: short stacking energy: -486.686 Base-Backbone interact. energy: -1.060 local terms energy: -601.404544 where: bonds (distance) C4'-P energy: -124.349 bonds (distance) P-C4' energy: -148.629 flat angles C4'-P-C4' energy: -127.386 flat angles P-C4'-P energy: -72.549 tors. eta vs tors. theta energy: -128.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -1300.417028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.417028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.417028 (E_RNA) where: Base-Base interactions energy: -783.435 where: short stacking energy: -358.620 Base-Backbone interact. energy: -0.995 local terms energy: -515.987270 where: bonds (distance) C4'-P energy: -113.382 bonds (distance) P-C4' energy: -156.766 flat angles C4'-P-C4' energy: -119.883 flat angles P-C4'-P energy: -75.534 tors. eta vs tors. theta energy: -50.422 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: 7 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -775.680170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.680170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.680170 (E_RNA) where: Base-Base interactions energy: -338.372 where: short stacking energy: -239.078 Base-Backbone interact. energy: -3.584 local terms energy: -433.723698 where: bonds (distance) C4'-P energy: -133.549 bonds (distance) P-C4' energy: -128.524 flat angles C4'-P-C4' energy: -130.316 flat angles P-C4'-P energy: -45.655 tors. eta vs tors. theta energy: 4.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -646.951615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.951615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.951615 (E_RNA) where: Base-Base interactions energy: -240.610 where: short stacking energy: -180.406 Base-Backbone interact. energy: -1.377 local terms energy: -404.964379 where: bonds (distance) C4'-P energy: -120.647 bonds (distance) P-C4' energy: -135.707 flat angles C4'-P-C4' energy: -114.886 flat angles P-C4'-P energy: -49.526 tors. eta vs tors. theta energy: 15.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -2764.254129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.254129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.254129 (E_RNA) where: Base-Base interactions energy: -1914.638 where: short stacking energy: -825.942 Base-Backbone interact. energy: -0.058 local terms energy: -849.558370 where: bonds (distance) C4'-P energy: -142.636 bonds (distance) P-C4' energy: -156.443 flat angles C4'-P-C4' energy: -190.402 flat angles P-C4'-P energy: -130.006 tors. eta vs tors. theta energy: -230.072 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: 2, replica: 4 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -2693.784794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.784794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.784794 (E_RNA) where: Base-Base interactions energy: -1840.209 where: short stacking energy: -782.790 Base-Backbone interact. energy: -7.879 local terms energy: -845.696205 where: bonds (distance) C4'-P energy: -150.949 bonds (distance) P-C4' energy: -157.964 flat angles C4'-P-C4' energy: -167.016 flat angles P-C4'-P energy: -127.554 tors. eta vs tors. theta energy: -242.213 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: 3, replica: 8 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -2496.774440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.774440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.774440 (E_RNA) where: Base-Base interactions energy: -1734.591 where: short stacking energy: -702.991 Base-Backbone interact. energy: -3.121 local terms energy: -759.062723 where: bonds (distance) C4'-P energy: -147.282 bonds (distance) P-C4' energy: -144.438 flat angles C4'-P-C4' energy: -164.577 flat angles P-C4'-P energy: -101.827 tors. eta vs tors. theta energy: -200.939 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: 4, replica: 1 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -2419.307564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.307564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.307564 (E_RNA) where: Base-Base interactions energy: -1620.966 where: short stacking energy: -687.924 Base-Backbone interact. energy: -5.578 local terms energy: -792.763155 where: bonds (distance) C4'-P energy: -141.017 bonds (distance) P-C4' energy: -158.781 flat angles C4'-P-C4' energy: -174.175 flat angles P-C4'-P energy: -124.430 tors. eta vs tors. theta energy: -194.361 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: 6 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -2225.652672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.652672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.652672 (E_RNA) where: Base-Base interactions energy: -1499.358 where: short stacking energy: -641.746 Base-Backbone interact. energy: -1.840 local terms energy: -724.454263 where: bonds (distance) C4'-P energy: -146.186 bonds (distance) P-C4' energy: -144.357 flat angles C4'-P-C4' energy: -152.907 flat angles P-C4'-P energy: -95.764 tors. eta vs tors. theta energy: -185.240 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: 456 Temperature: 1.150000 Total energy: -1946.498438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.498438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.498438 (E_RNA) where: Base-Base interactions energy: -1269.974 where: short stacking energy: -578.936 Base-Backbone interact. energy: -1.133 local terms energy: -675.391194 where: bonds (distance) C4'-P energy: -131.958 bonds (distance) P-C4' energy: -152.954 flat angles C4'-P-C4' energy: -157.804 flat angles P-C4'-P energy: -90.674 tors. eta vs tors. theta energy: -142.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1692.844544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.844544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.844544 (E_RNA) where: Base-Base interactions energy: -1074.052 where: short stacking energy: -493.862 Base-Backbone interact. energy: -0.931 local terms energy: -617.861812 where: bonds (distance) C4'-P energy: -131.745 bonds (distance) P-C4' energy: -131.020 flat angles C4'-P-C4' energy: -156.588 flat angles P-C4'-P energy: -87.000 tors. eta vs tors. theta energy: -111.508 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: 3 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -1302.311946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.311946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.311946 (E_RNA) where: Base-Base interactions energy: -757.731 where: short stacking energy: -359.701 Base-Backbone interact. energy: 1.835 local terms energy: -546.416517 where: bonds (distance) C4'-P energy: -131.984 bonds (distance) P-C4' energy: -160.969 flat angles C4'-P-C4' energy: -138.449 flat angles P-C4'-P energy: -61.682 tors. eta vs tors. theta energy: -53.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -775.118196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.118196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.118196 (E_RNA) where: Base-Base interactions energy: -349.780 where: short stacking energy: -191.606 Base-Backbone interact. energy: 3.751 local terms energy: -429.089474 where: bonds (distance) C4'-P energy: -115.592 bonds (distance) P-C4' energy: -134.229 flat angles C4'-P-C4' energy: -110.451 flat angles P-C4'-P energy: -78.995 tors. eta vs tors. theta energy: 10.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -612.180046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.180046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.180046 (E_RNA) where: Base-Base interactions energy: -215.760 where: short stacking energy: -143.152 Base-Backbone interact. energy: 3.224 local terms energy: -399.644344 where: bonds (distance) C4'-P energy: -142.564 bonds (distance) P-C4' energy: -130.649 flat angles C4'-P-C4' energy: -99.041 flat angles P-C4'-P energy: -72.198 tors. eta vs tors. theta energy: 44.808 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: 1, replica: 2 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -2765.300545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.300545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.300545 (E_RNA) where: Base-Base interactions energy: -1910.895 where: short stacking energy: -792.048 Base-Backbone interact. energy: 1.551 local terms energy: -855.955866 where: bonds (distance) C4'-P energy: -156.302 bonds (distance) P-C4' energy: -165.603 flat angles C4'-P-C4' energy: -176.523 flat angles P-C4'-P energy: -119.820 tors. eta vs tors. theta energy: -237.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -2643.367878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.367878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.367878 (E_RNA) where: Base-Base interactions energy: -1798.440 where: short stacking energy: -757.786 Base-Backbone interact. energy: -7.182 local terms energy: -837.745750 where: bonds (distance) C4'-P energy: -152.543 bonds (distance) P-C4' energy: -163.784 flat angles C4'-P-C4' energy: -181.844 flat angles P-C4'-P energy: -115.280 tors. eta vs tors. theta energy: -224.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -2539.029900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.029900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.029900 (E_RNA) where: Base-Base interactions energy: -1739.673 where: short stacking energy: -731.057 Base-Backbone interact. energy: 1.772 local terms energy: -801.129677 where: bonds (distance) C4'-P energy: -139.275 bonds (distance) P-C4' energy: -151.720 flat angles C4'-P-C4' energy: -179.435 flat angles P-C4'-P energy: -111.942 tors. eta vs tors. theta energy: -218.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -2394.087858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.087858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.087858 (E_RNA) where: Base-Base interactions energy: -1638.385 where: short stacking energy: -702.746 Base-Backbone interact. energy: -2.140 local terms energy: -753.563004 where: bonds (distance) C4'-P energy: -150.463 bonds (distance) P-C4' energy: -148.582 flat angles C4'-P-C4' energy: -153.729 flat angles P-C4'-P energy: -104.065 tors. eta vs tors. theta energy: -196.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -2238.493322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.493322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.493322 (E_RNA) where: Base-Base interactions energy: -1518.344 where: short stacking energy: -663.616 Base-Backbone interact. energy: -1.999 local terms energy: -718.150556 where: bonds (distance) C4'-P energy: -124.748 bonds (distance) P-C4' energy: -126.358 flat angles C4'-P-C4' energy: -176.889 flat angles P-C4'-P energy: -106.529 tors. eta vs tors. theta energy: -183.627 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: 5 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -1926.018384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.018384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.018384 (E_RNA) where: Base-Base interactions energy: -1260.732 where: short stacking energy: -559.298 Base-Backbone interact. energy: 0.541 local terms energy: -665.827921 where: bonds (distance) C4'-P energy: -139.064 bonds (distance) P-C4' energy: -131.534 flat angles C4'-P-C4' energy: -157.406 flat angles P-C4'-P energy: -102.324 tors. eta vs tors. theta energy: -135.500 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: 7, replica: 10 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -1668.762420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.762420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.762420 (E_RNA) where: Base-Base interactions energy: -1101.869 where: short stacking energy: -490.930 Base-Backbone interact. energy: 4.975 local terms energy: -571.868440 where: bonds (distance) C4'-P energy: -134.103 bonds (distance) P-C4' energy: -128.571 flat angles C4'-P-C4' energy: -137.393 flat angles P-C4'-P energy: -72.617 tors. eta vs tors. theta energy: -99.185 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: 8, replica: 3 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -1299.593262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.593262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.593262 (E_RNA) where: Base-Base interactions energy: -786.522 where: short stacking energy: -371.941 Base-Backbone interact. energy: 4.324 local terms energy: -517.395925 where: bonds (distance) C4'-P energy: -122.646 bonds (distance) P-C4' energy: -141.992 flat angles C4'-P-C4' energy: -135.921 flat angles P-C4'-P energy: -91.959 tors. eta vs tors. theta energy: -24.878 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: 9, replica: 7 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -792.979588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.979588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.979588 (E_RNA) where: Base-Base interactions energy: -347.909 where: short stacking energy: -223.100 Base-Backbone interact. energy: -0.698 local terms energy: -444.372557 where: bonds (distance) C4'-P energy: -132.684 bonds (distance) P-C4' energy: -146.391 flat angles C4'-P-C4' energy: -125.055 flat angles P-C4'-P energy: -48.153 tors. eta vs tors. theta energy: 7.910 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: 10, replica: 9 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -664.632058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.632058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.632058 (E_RNA) where: Base-Base interactions energy: -234.763 where: short stacking energy: -162.234 Base-Backbone interact. energy: -0.086 local terms energy: -429.783106 where: bonds (distance) C4'-P energy: -147.679 bonds (distance) P-C4' energy: -132.513 flat angles C4'-P-C4' energy: -114.352 flat angles P-C4'-P energy: -67.210 tors. eta vs tors. theta energy: 31.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -2788.158363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.158363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.158363 (E_RNA) where: Base-Base interactions energy: -1913.506 where: short stacking energy: -819.716 Base-Backbone interact. energy: -3.521 local terms energy: -871.131559 where: bonds (distance) C4'-P energy: -161.459 bonds (distance) P-C4' energy: -162.663 flat angles C4'-P-C4' energy: -184.949 flat angles P-C4'-P energy: -121.198 tors. eta vs tors. theta energy: -240.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -2658.018196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.018196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.018196 (E_RNA) where: Base-Base interactions energy: -1829.952 where: short stacking energy: -770.513 Base-Backbone interact. energy: -8.991 local terms energy: -819.074496 where: bonds (distance) C4'-P energy: -154.075 bonds (distance) P-C4' energy: -162.001 flat angles C4'-P-C4' energy: -174.747 flat angles P-C4'-P energy: -114.049 tors. eta vs tors. theta energy: -214.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -2511.255007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.255007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.255007 (E_RNA) where: Base-Base interactions energy: -1723.483 where: short stacking energy: -700.370 Base-Backbone interact. energy: 3.893 local terms energy: -791.665558 where: bonds (distance) C4'-P energy: -151.352 bonds (distance) P-C4' energy: -146.025 flat angles C4'-P-C4' energy: -166.129 flat angles P-C4'-P energy: -134.385 tors. eta vs tors. theta energy: -193.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -2376.666276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.666276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.666276 (E_RNA) where: Base-Base interactions energy: -1614.474 where: short stacking energy: -688.876 Base-Backbone interact. energy: -3.427 local terms energy: -758.766109 where: bonds (distance) C4'-P energy: -156.820 bonds (distance) P-C4' energy: -133.166 flat angles C4'-P-C4' energy: -172.697 flat angles P-C4'-P energy: -93.983 tors. eta vs tors. theta energy: -202.100 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: 6 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -2232.060231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.060231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.060231 (E_RNA) where: Base-Base interactions energy: -1462.392 where: short stacking energy: -622.645 Base-Backbone interact. energy: -2.370 local terms energy: -767.298101 where: bonds (distance) C4'-P energy: -163.462 bonds (distance) P-C4' energy: -154.963 flat angles C4'-P-C4' energy: -159.844 flat angles P-C4'-P energy: -112.366 tors. eta vs tors. theta energy: -176.664 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: 6, replica: 5 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -1899.903047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.903047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.903047 (E_RNA) where: Base-Base interactions energy: -1236.500 where: short stacking energy: -530.135 Base-Backbone interact. energy: -2.777 local terms energy: -660.625336 where: bonds (distance) C4'-P energy: -118.052 bonds (distance) P-C4' energy: -137.903 flat angles C4'-P-C4' energy: -156.248 flat angles P-C4'-P energy: -105.748 tors. eta vs tors. theta energy: -142.674 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: 10 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -1688.286721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.286721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.286721 (E_RNA) where: Base-Base interactions energy: -1056.382 where: short stacking energy: -474.954 Base-Backbone interact. energy: 4.183 local terms energy: -636.087896 where: bonds (distance) C4'-P energy: -148.160 bonds (distance) P-C4' energy: -136.895 flat angles C4'-P-C4' energy: -152.968 flat angles P-C4'-P energy: -89.544 tors. eta vs tors. theta energy: -108.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -1281.177163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.177163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.177163 (E_RNA) where: Base-Base interactions energy: -763.425 where: short stacking energy: -388.208 Base-Backbone interact. energy: 3.723 local terms energy: -521.474809 where: bonds (distance) C4'-P energy: -114.245 bonds (distance) P-C4' energy: -130.372 flat angles C4'-P-C4' energy: -122.137 flat angles P-C4'-P energy: -92.560 tors. eta vs tors. theta energy: -62.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -812.875876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.875876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.875876 (E_RNA) where: Base-Base interactions energy: -342.414 where: short stacking energy: -224.091 Base-Backbone interact. energy: 1.626 local terms energy: -472.088061 where: bonds (distance) C4'-P energy: -135.033 bonds (distance) P-C4' energy: -136.448 flat angles C4'-P-C4' energy: -119.835 flat angles P-C4'-P energy: -66.420 tors. eta vs tors. theta energy: -14.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -723.949606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.949606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.949606 (E_RNA) where: Base-Base interactions energy: -314.350 where: short stacking energy: -195.191 Base-Backbone interact. energy: 5.221 local terms energy: -414.819860 where: bonds (distance) C4'-P energy: -117.597 bonds (distance) P-C4' energy: -137.881 flat angles C4'-P-C4' energy: -122.315 flat angles P-C4'-P energy: -64.283 tors. eta vs tors. theta energy: 27.256 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: 2 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -2770.280595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.280595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.280595 (E_RNA) where: Base-Base interactions energy: -1915.824 where: short stacking energy: -805.926 Base-Backbone interact. energy: 0.400 local terms energy: -854.856581 where: bonds (distance) C4'-P energy: -167.005 bonds (distance) P-C4' energy: -159.768 flat angles C4'-P-C4' energy: -170.910 flat angles P-C4'-P energy: -123.684 tors. eta vs tors. theta energy: -233.489 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: 4 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -2617.743862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.743862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.743862 (E_RNA) where: Base-Base interactions energy: -1788.196 where: short stacking energy: -750.666 Base-Backbone interact. energy: -6.637 local terms energy: -822.910622 where: bonds (distance) C4'-P energy: -167.070 bonds (distance) P-C4' energy: -165.171 flat angles C4'-P-C4' energy: -163.864 flat angles P-C4'-P energy: -109.987 tors. eta vs tors. theta energy: -216.819 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: 3, replica: 8 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -2492.249965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.249965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.249965 (E_RNA) where: Base-Base interactions energy: -1714.219 where: short stacking energy: -689.107 Base-Backbone interact. energy: -1.484 local terms energy: -776.547081 where: bonds (distance) C4'-P energy: -142.159 bonds (distance) P-C4' energy: -165.020 flat angles C4'-P-C4' energy: -178.986 flat angles P-C4'-P energy: -104.171 tors. eta vs tors. theta energy: -186.210 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: 1 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -2303.734941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.734941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.734941 (E_RNA) where: Base-Base interactions energy: -1574.466 where: short stacking energy: -638.110 Base-Backbone interact. energy: -0.107 local terms energy: -729.162176 where: bonds (distance) C4'-P energy: -139.861 bonds (distance) P-C4' energy: -162.042 flat angles C4'-P-C4' energy: -157.355 flat angles P-C4'-P energy: -105.294 tors. eta vs tors. theta energy: -164.611 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: 5, replica: 6 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -2245.372759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.372759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.372759 (E_RNA) where: Base-Base interactions energy: -1495.664 where: short stacking energy: -655.184 Base-Backbone interact. energy: 0.220 local terms energy: -749.928438 where: bonds (distance) C4'-P energy: -142.420 bonds (distance) P-C4' energy: -150.221 flat angles C4'-P-C4' energy: -175.524 flat angles P-C4'-P energy: -100.586 tors. eta vs tors. theta energy: -181.177 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: 459 Temperature: 1.150000 Total energy: -1917.243669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.243669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.243669 (E_RNA) where: Base-Base interactions energy: -1225.685 where: short stacking energy: -551.403 Base-Backbone interact. energy: 0.974 local terms energy: -692.533076 where: bonds (distance) C4'-P energy: -138.736 bonds (distance) P-C4' energy: -162.066 flat angles C4'-P-C4' energy: -167.004 flat angles P-C4'-P energy: -91.751 tors. eta vs tors. theta energy: -132.976 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: 7, replica: 10 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -1668.687323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.687323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.687323 (E_RNA) where: Base-Base interactions energy: -1026.525 where: short stacking energy: -471.306 Base-Backbone interact. energy: -3.472 local terms energy: -638.690662 where: bonds (distance) C4'-P energy: -121.433 bonds (distance) P-C4' energy: -145.538 flat angles C4'-P-C4' energy: -159.257 flat angles P-C4'-P energy: -97.869 tors. eta vs tors. theta energy: -114.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -1345.556909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.556909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.556909 (E_RNA) where: Base-Base interactions energy: -786.860 where: short stacking energy: -366.735 Base-Backbone interact. energy: -0.703 local terms energy: -557.994671 where: bonds (distance) C4'-P energy: -134.556 bonds (distance) P-C4' energy: -131.047 flat angles C4'-P-C4' energy: -138.813 flat angles P-C4'-P energy: -88.138 tors. eta vs tors. theta energy: -65.440 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: 7 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -767.589204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.589204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.589204 (E_RNA) where: Base-Base interactions energy: -325.485 where: short stacking energy: -210.772 Base-Backbone interact. energy: -2.649 local terms energy: -439.455406 where: bonds (distance) C4'-P energy: -109.562 bonds (distance) P-C4' energy: -142.347 flat angles C4'-P-C4' energy: -116.904 flat angles P-C4'-P energy: -74.588 tors. eta vs tors. theta energy: 3.945 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: 459 Temperature: 1.350000 Total energy: -681.755582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.755582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.755582 (E_RNA) where: Base-Base interactions energy: -310.887 where: short stacking energy: -223.425 Base-Backbone interact. energy: 4.618 local terms energy: -375.486089 where: bonds (distance) C4'-P energy: -119.801 bonds (distance) P-C4' energy: -118.843 flat angles C4'-P-C4' energy: -73.752 flat angles P-C4'-P energy: -68.104 tors. eta vs tors. theta energy: 5.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -2775.946328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.946328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.946328 (E_RNA) where: Base-Base interactions energy: -1929.823 where: short stacking energy: -834.437 Base-Backbone interact. energy: 5.789 local terms energy: -851.912771 where: bonds (distance) C4'-P energy: -163.206 bonds (distance) P-C4' energy: -155.968 flat angles C4'-P-C4' energy: -188.861 flat angles P-C4'-P energy: -108.526 tors. eta vs tors. theta energy: -235.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -2611.686814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.686814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.686814 (E_RNA) where: Base-Base interactions energy: -1774.935 where: short stacking energy: -745.023 Base-Backbone interact. energy: -4.300 local terms energy: -832.451970 where: bonds (distance) C4'-P energy: -164.338 bonds (distance) P-C4' energy: -153.536 flat angles C4'-P-C4' energy: -173.697 flat angles P-C4'-P energy: -128.817 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: 3, replica: 8 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -2497.018896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.018896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.018896 (E_RNA) where: Base-Base interactions energy: -1738.906 where: short stacking energy: -733.155 Base-Backbone interact. energy: -4.653 local terms energy: -753.460266 where: bonds (distance) C4'-P energy: -132.537 bonds (distance) P-C4' energy: -146.410 flat angles C4'-P-C4' energy: -181.837 flat angles P-C4'-P energy: -95.550 tors. eta vs tors. theta energy: -197.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -2296.904982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.904982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.904982 (E_RNA) where: Base-Base interactions energy: -1518.559 where: short stacking energy: -647.005 Base-Backbone interact. energy: -4.307 local terms energy: -774.039101 where: bonds (distance) C4'-P energy: -156.336 bonds (distance) P-C4' energy: -157.320 flat angles C4'-P-C4' energy: -171.123 flat angles P-C4'-P energy: -96.958 tors. eta vs tors. theta energy: -192.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -2214.351956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.351956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.351956 (E_RNA) where: Base-Base interactions energy: -1501.700 where: short stacking energy: -632.199 Base-Backbone interact. energy: -1.469 local terms energy: -711.183023 where: bonds (distance) C4'-P energy: -149.394 bonds (distance) P-C4' energy: -137.483 flat angles C4'-P-C4' energy: -154.062 flat angles P-C4'-P energy: -95.719 tors. eta vs tors. theta energy: -174.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -1874.778784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.778784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.778784 (E_RNA) where: Base-Base interactions energy: -1181.439 where: short stacking energy: -529.675 Base-Backbone interact. energy: 2.144 local terms energy: -695.483149 where: bonds (distance) C4'-P energy: -140.699 bonds (distance) P-C4' energy: -147.271 flat angles C4'-P-C4' energy: -162.214 flat angles P-C4'-P energy: -105.174 tors. eta vs tors. theta energy: -140.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1634.354402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.354402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.354402 (E_RNA) where: Base-Base interactions energy: -1037.258 where: short stacking energy: -453.158 Base-Backbone interact. energy: -1.886 local terms energy: -595.210599 where: bonds (distance) C4'-P energy: -145.958 bonds (distance) P-C4' energy: -141.031 flat angles C4'-P-C4' energy: -134.853 flat angles P-C4'-P energy: -80.938 tors. eta vs tors. theta energy: -92.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -1282.724746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.724746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.724746 (E_RNA) where: Base-Base interactions energy: -795.587 where: short stacking energy: -378.508 Base-Backbone interact. energy: -2.894 local terms energy: -484.243160 where: bonds (distance) C4'-P energy: -100.387 bonds (distance) P-C4' energy: -126.119 flat angles C4'-P-C4' energy: -137.799 flat angles P-C4'-P energy: -57.302 tors. eta vs tors. theta energy: -62.636 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: 7 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -757.055862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.055862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.055862 (E_RNA) where: Base-Base interactions energy: -320.077 where: short stacking energy: -231.006 Base-Backbone interact. energy: 2.722 local terms energy: -439.700953 where: bonds (distance) C4'-P energy: -118.986 bonds (distance) P-C4' energy: -136.049 flat angles C4'-P-C4' energy: -128.930 flat angles P-C4'-P energy: -60.979 tors. eta vs tors. theta energy: 5.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -680.313989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.313989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.313989 (E_RNA) where: Base-Base interactions energy: -276.253 where: short stacking energy: -181.541 Base-Backbone interact. energy: -3.328 local terms energy: -400.732813 where: bonds (distance) C4'-P energy: -129.918 bonds (distance) P-C4' energy: -111.813 flat angles C4'-P-C4' energy: -118.407 flat angles P-C4'-P energy: -59.384 tors. eta vs tors. theta energy: 18.789 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: 2 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -2772.916730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.916730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.916730 (E_RNA) where: Base-Base interactions energy: -1949.674 where: short stacking energy: -802.835 Base-Backbone interact. energy: 2.333 local terms energy: -825.576136 where: bonds (distance) C4'-P energy: -162.645 bonds (distance) P-C4' energy: -153.779 flat angles C4'-P-C4' energy: -175.101 flat angles P-C4'-P energy: -117.611 tors. eta vs tors. theta energy: -216.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -2662.810504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.810504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.810504 (E_RNA) where: Base-Base interactions energy: -1838.694 where: short stacking energy: -777.373 Base-Backbone interact. energy: -5.727 local terms energy: -818.390118 where: bonds (distance) C4'-P energy: -149.017 bonds (distance) P-C4' energy: -157.110 flat angles C4'-P-C4' energy: -168.227 flat angles P-C4'-P energy: -124.891 tors. eta vs tors. theta energy: -219.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -2571.873448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.873448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.873448 (E_RNA) where: Base-Base interactions energy: -1753.275 where: short stacking energy: -709.013 Base-Backbone interact. energy: -4.395 local terms energy: -814.203128 where: bonds (distance) C4'-P energy: -153.748 bonds (distance) P-C4' energy: -159.418 flat angles C4'-P-C4' energy: -188.497 flat angles P-C4'-P energy: -113.290 tors. eta vs tors. theta energy: -199.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -2348.479193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.479193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.479193 (E_RNA) where: Base-Base interactions energy: -1592.042 where: short stacking energy: -677.012 Base-Backbone interact. energy: -3.015 local terms energy: -753.422141 where: bonds (distance) C4'-P energy: -138.989 bonds (distance) P-C4' energy: -146.300 flat angles C4'-P-C4' energy: -168.257 flat angles P-C4'-P energy: -95.810 tors. eta vs tors. theta energy: -204.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -2245.597248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.597248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.597248 (E_RNA) where: Base-Base interactions energy: -1508.540 where: short stacking energy: -651.914 Base-Backbone interact. energy: -3.051 local terms energy: -734.006000 where: bonds (distance) C4'-P energy: -143.633 bonds (distance) P-C4' energy: -152.270 flat angles C4'-P-C4' energy: -158.475 flat angles P-C4'-P energy: -93.386 tors. eta vs tors. theta energy: -186.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -1890.081446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.081446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.081446 (E_RNA) where: Base-Base interactions energy: -1223.691 where: short stacking energy: -526.060 Base-Backbone interact. energy: -2.628 local terms energy: -663.762569 where: bonds (distance) C4'-P energy: -145.356 bonds (distance) P-C4' energy: -148.185 flat angles C4'-P-C4' energy: -142.882 flat angles P-C4'-P energy: -92.499 tors. eta vs tors. theta energy: -134.841 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: 7, replica: 10 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1590.144419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.144419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.144419 (E_RNA) where: Base-Base interactions energy: -991.971 where: short stacking energy: -440.742 Base-Backbone interact. energy: -2.982 local terms energy: -595.191192 where: bonds (distance) C4'-P energy: -140.376 bonds (distance) P-C4' energy: -142.751 flat angles C4'-P-C4' energy: -143.010 flat angles P-C4'-P energy: -80.968 tors. eta vs tors. theta energy: -88.086 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: 461 Temperature: 1.250000 Total energy: -1265.564778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.564778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.564778 (E_RNA) where: Base-Base interactions energy: -697.212 where: short stacking energy: -332.694 Base-Backbone interact. energy: -4.267 local terms energy: -564.085897 where: bonds (distance) C4'-P energy: -140.176 bonds (distance) P-C4' energy: -154.277 flat angles C4'-P-C4' energy: -154.748 flat angles P-C4'-P energy: -71.068 tors. eta vs tors. theta energy: -43.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -747.243005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.243005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.243005 (E_RNA) where: Base-Base interactions energy: -309.262 where: short stacking energy: -199.551 Base-Backbone interact. energy: -3.206 local terms energy: -434.775724 where: bonds (distance) C4'-P energy: -140.041 bonds (distance) P-C4' energy: -142.854 flat angles C4'-P-C4' energy: -102.579 flat angles P-C4'-P energy: -50.687 tors. eta vs tors. theta energy: 1.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -662.123148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.123148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.123148 (E_RNA) where: Base-Base interactions energy: -264.986 where: short stacking energy: -150.440 Base-Backbone interact. energy: -4.499 local terms energy: -392.637803 where: bonds (distance) C4'-P energy: -133.920 bonds (distance) P-C4' energy: -126.164 flat angles C4'-P-C4' energy: -116.688 flat angles P-C4'-P energy: -65.771 tors. eta vs tors. theta energy: 49.904 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: 1, replica: 2 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -2782.907252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.907252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.907252 (E_RNA) where: Base-Base interactions energy: -1934.035 where: short stacking energy: -793.872 Base-Backbone interact. energy: 0.141 local terms energy: -849.013665 where: bonds (distance) C4'-P energy: -154.525 bonds (distance) P-C4' energy: -174.263 flat angles C4'-P-C4' energy: -176.487 flat angles P-C4'-P energy: -111.770 tors. eta vs tors. theta energy: -231.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -2712.041769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.041769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.041769 (E_RNA) where: Base-Base interactions energy: -1875.202 where: short stacking energy: -807.862 Base-Backbone interact. energy: -5.264 local terms energy: -831.575428 where: bonds (distance) C4'-P energy: -142.258 bonds (distance) P-C4' energy: -168.270 flat angles C4'-P-C4' energy: -181.148 flat angles P-C4'-P energy: -117.827 tors. eta vs tors. theta energy: -222.073 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: 3, replica: 8 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -2502.790163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.790163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.790163 (E_RNA) where: Base-Base interactions energy: -1690.034 where: short stacking energy: -700.285 Base-Backbone interact. energy: -3.950 local terms energy: -808.806222 where: bonds (distance) C4'-P energy: -150.379 bonds (distance) P-C4' energy: -150.911 flat angles C4'-P-C4' energy: -179.634 flat angles P-C4'-P energy: -114.193 tors. eta vs tors. theta energy: -213.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -2304.418284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.418284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.418284 (E_RNA) where: Base-Base interactions energy: -1523.994 where: short stacking energy: -657.314 Base-Backbone interact. energy: 0.303 local terms energy: -780.727150 where: bonds (distance) C4'-P energy: -145.662 bonds (distance) P-C4' energy: -152.247 flat angles C4'-P-C4' energy: -171.929 flat angles P-C4'-P energy: -109.438 tors. eta vs tors. theta energy: -201.452 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: 5, replica: 6 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -2234.370837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.370837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.370837 (E_RNA) where: Base-Base interactions energy: -1499.174 where: short stacking energy: -659.459 Base-Backbone interact. energy: -2.097 local terms energy: -733.100413 where: bonds (distance) C4'-P energy: -139.274 bonds (distance) P-C4' energy: -147.688 flat angles C4'-P-C4' energy: -157.499 flat angles P-C4'-P energy: -99.591 tors. eta vs tors. theta energy: -189.048 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: 462 Temperature: 1.150000 Total energy: -1887.102617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.102617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.102617 (E_RNA) where: Base-Base interactions energy: -1200.495 where: short stacking energy: -533.824 Base-Backbone interact. energy: 8.195 local terms energy: -694.802935 where: bonds (distance) C4'-P energy: -154.644 bonds (distance) P-C4' energy: -153.637 flat angles C4'-P-C4' energy: -158.202 flat angles P-C4'-P energy: -97.276 tors. eta vs tors. theta energy: -131.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1586.383485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.383485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.383485 (E_RNA) where: Base-Base interactions energy: -991.215 where: short stacking energy: -468.033 Base-Backbone interact. energy: 2.819 local terms energy: -597.988074 where: bonds (distance) C4'-P energy: -136.677 bonds (distance) P-C4' energy: -125.073 flat angles C4'-P-C4' energy: -141.351 flat angles P-C4'-P energy: -89.326 tors. eta vs tors. theta energy: -105.560 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: 8, replica: 3 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -1329.504760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.504760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.504760 (E_RNA) where: Base-Base interactions energy: -795.696 where: short stacking energy: -378.339 Base-Backbone interact. energy: -1.346 local terms energy: -532.462564 where: bonds (distance) C4'-P energy: -126.658 bonds (distance) P-C4' energy: -142.143 flat angles C4'-P-C4' energy: -124.202 flat angles P-C4'-P energy: -83.548 tors. eta vs tors. theta energy: -55.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -755.066807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.066807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.066807 (E_RNA) where: Base-Base interactions energy: -318.243 where: short stacking energy: -233.717 Base-Backbone interact. energy: -0.530 local terms energy: -436.294202 where: bonds (distance) C4'-P energy: -126.103 bonds (distance) P-C4' energy: -140.267 flat angles C4'-P-C4' energy: -109.617 flat angles P-C4'-P energy: -62.066 tors. eta vs tors. theta energy: 1.758 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: 10, replica: 9 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -648.248721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.248721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.248721 (E_RNA) where: Base-Base interactions energy: -277.581 where: short stacking energy: -189.988 Base-Backbone interact. energy: 2.313 local terms energy: -372.979869 where: bonds (distance) C4'-P energy: -128.754 bonds (distance) P-C4' energy: -141.803 flat angles C4'-P-C4' energy: -88.726 flat angles P-C4'-P energy: -45.355 tors. eta vs tors. theta energy: 31.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -2771.125017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.125017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.125017 (E_RNA) where: Base-Base interactions energy: -1914.937 where: short stacking energy: -808.844 Base-Backbone interact. energy: -1.819 local terms energy: -854.368360 where: bonds (distance) C4'-P energy: -152.320 bonds (distance) P-C4' energy: -147.988 flat angles C4'-P-C4' energy: -193.977 flat angles P-C4'-P energy: -128.676 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: 2, replica: 4 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -2697.508357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.508357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.508357 (E_RNA) where: Base-Base interactions energy: -1872.786 where: short stacking energy: -800.903 Base-Backbone interact. energy: -3.323 local terms energy: -821.399350 where: bonds (distance) C4'-P energy: -154.366 bonds (distance) P-C4' energy: -150.914 flat angles C4'-P-C4' energy: -163.318 flat angles P-C4'-P energy: -121.310 tors. eta vs tors. theta energy: -231.490 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: 8 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -2532.514768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.514768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.514768 (E_RNA) where: Base-Base interactions energy: -1710.403 where: short stacking energy: -718.345 Base-Backbone interact. energy: -0.331 local terms energy: -821.781008 where: bonds (distance) C4'-P energy: -164.048 bonds (distance) P-C4' energy: -164.465 flat angles C4'-P-C4' energy: -177.629 flat angles P-C4'-P energy: -115.475 tors. eta vs tors. theta energy: -200.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -2292.328248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.328248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.328248 (E_RNA) where: Base-Base interactions energy: -1550.233 where: short stacking energy: -659.688 Base-Backbone interact. energy: -4.164 local terms energy: -737.930925 where: bonds (distance) C4'-P energy: -129.737 bonds (distance) P-C4' energy: -158.468 flat angles C4'-P-C4' energy: -170.515 flat angles P-C4'-P energy: -103.787 tors. eta vs tors. theta energy: -175.424 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: 5, replica: 1 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -2220.635834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.635834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.635834 (E_RNA) where: Base-Base interactions energy: -1487.715 where: short stacking energy: -626.994 Base-Backbone interact. energy: -2.677 local terms energy: -730.242996 where: bonds (distance) C4'-P energy: -138.209 bonds (distance) P-C4' energy: -147.330 flat angles C4'-P-C4' energy: -170.823 flat angles P-C4'-P energy: -103.299 tors. eta vs tors. theta energy: -170.581 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: 463 Temperature: 1.150000 Total energy: -1841.026149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.026149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.026149 (E_RNA) where: Base-Base interactions energy: -1188.561 where: short stacking energy: -536.627 Base-Backbone interact. energy: 5.227 local terms energy: -657.691495 where: bonds (distance) C4'-P energy: -136.872 bonds (distance) P-C4' energy: -130.772 flat angles C4'-P-C4' energy: -152.962 flat angles P-C4'-P energy: -109.796 tors. eta vs tors. theta energy: -127.289 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: 10 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -1632.819751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.819751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.819751 (E_RNA) where: Base-Base interactions energy: -1022.477 where: short stacking energy: -485.072 Base-Backbone interact. energy: -4.845 local terms energy: -605.498070 where: bonds (distance) C4'-P energy: -132.052 bonds (distance) P-C4' energy: -137.497 flat angles C4'-P-C4' energy: -146.531 flat angles P-C4'-P energy: -98.922 tors. eta vs tors. theta energy: -90.497 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: 8, replica: 3 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -1278.387619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.387619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.387619 (E_RNA) where: Base-Base interactions energy: -772.917 where: short stacking energy: -379.360 Base-Backbone interact. energy: 5.578 local terms energy: -511.048402 where: bonds (distance) C4'-P energy: -132.527 bonds (distance) P-C4' energy: -145.623 flat angles C4'-P-C4' energy: -127.124 flat angles P-C4'-P energy: -69.502 tors. eta vs tors. theta energy: -36.272 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: 9, replica: 7 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -814.381782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.381782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.381782 (E_RNA) where: Base-Base interactions energy: -360.538 where: short stacking energy: -213.751 Base-Backbone interact. energy: 0.338 local terms energy: -454.182269 where: bonds (distance) C4'-P energy: -125.789 bonds (distance) P-C4' energy: -130.476 flat angles C4'-P-C4' energy: -129.975 flat angles P-C4'-P energy: -76.729 tors. eta vs tors. theta energy: 8.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -693.305399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.305399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.305399 (E_RNA) where: Base-Base interactions energy: -275.627 where: short stacking energy: -189.587 Base-Backbone interact. energy: -2.874 local terms energy: -414.804873 where: bonds (distance) C4'-P energy: -128.463 bonds (distance) P-C4' energy: -130.651 flat angles C4'-P-C4' energy: -119.632 flat angles P-C4'-P energy: -74.211 tors. eta vs tors. theta energy: 38.152 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: 2 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -2802.721060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.721060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.721060 (E_RNA) where: Base-Base interactions energy: -1901.342 where: short stacking energy: -791.263 Base-Backbone interact. energy: -3.145 local terms energy: -898.234147 where: bonds (distance) C4'-P energy: -175.723 bonds (distance) P-C4' energy: -157.693 flat angles C4'-P-C4' energy: -188.751 flat angles P-C4'-P energy: -140.303 tors. eta vs tors. theta energy: -235.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -2667.437650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.437650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.437650 (E_RNA) where: Base-Base interactions energy: -1826.889 where: short stacking energy: -757.166 Base-Backbone interact. energy: -3.207 local terms energy: -837.341445 where: bonds (distance) C4'-P energy: -162.278 bonds (distance) P-C4' energy: -146.658 flat angles C4'-P-C4' energy: -170.440 flat angles P-C4'-P energy: -134.836 tors. eta vs tors. theta energy: -223.129 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: 8 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -2544.496912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.496912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.496912 (E_RNA) where: Base-Base interactions energy: -1751.407 where: short stacking energy: -701.406 Base-Backbone interact. energy: -0.020 local terms energy: -793.070226 where: bonds (distance) C4'-P energy: -153.783 bonds (distance) P-C4' energy: -157.891 flat angles C4'-P-C4' energy: -164.864 flat angles P-C4'-P energy: -115.436 tors. eta vs tors. theta energy: -201.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -2300.527325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.527325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.527325 (E_RNA) where: Base-Base interactions energy: -1569.339 where: short stacking energy: -676.345 Base-Backbone interact. energy: 0.871 local terms energy: -732.059859 where: bonds (distance) C4'-P energy: -134.963 bonds (distance) P-C4' energy: -141.451 flat angles C4'-P-C4' energy: -173.139 flat angles P-C4'-P energy: -86.132 tors. eta vs tors. theta energy: -196.374 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: 5, replica: 1 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -2126.333297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.333297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.333297 (E_RNA) where: Base-Base interactions energy: -1431.864 where: short stacking energy: -627.517 Base-Backbone interact. energy: -4.306 local terms energy: -690.163294 where: bonds (distance) C4'-P energy: -130.563 bonds (distance) P-C4' energy: -150.641 flat angles C4'-P-C4' energy: -145.600 flat angles P-C4'-P energy: -92.586 tors. eta vs tors. theta energy: -170.774 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: 464 Temperature: 1.150000 Total energy: -1874.795367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.795367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.795367 (E_RNA) where: Base-Base interactions energy: -1207.634 where: short stacking energy: -543.716 Base-Backbone interact. energy: -3.470 local terms energy: -663.691665 where: bonds (distance) C4'-P energy: -134.019 bonds (distance) P-C4' energy: -141.958 flat angles C4'-P-C4' energy: -163.867 flat angles P-C4'-P energy: -93.138 tors. eta vs tors. theta energy: -130.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -1635.172859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.172859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.172859 (E_RNA) where: Base-Base interactions energy: -1059.758 where: short stacking energy: -502.805 Base-Backbone interact. energy: 2.078 local terms energy: -577.493594 where: bonds (distance) C4'-P energy: -127.995 bonds (distance) P-C4' energy: -115.572 flat angles C4'-P-C4' energy: -135.833 flat angles P-C4'-P energy: -97.453 tors. eta vs tors. theta energy: -100.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -1249.463693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.463693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.463693 (E_RNA) where: Base-Base interactions energy: -709.690 where: short stacking energy: -316.567 Base-Backbone interact. energy: -3.579 local terms energy: -536.194534 where: bonds (distance) C4'-P energy: -138.708 bonds (distance) P-C4' energy: -145.310 flat angles C4'-P-C4' energy: -133.552 flat angles P-C4'-P energy: -90.213 tors. eta vs tors. theta energy: -28.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -813.502414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.502414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.502414 (E_RNA) where: Base-Base interactions energy: -353.313 where: short stacking energy: -231.706 Base-Backbone interact. energy: 1.591 local terms energy: -461.780365 where: bonds (distance) C4'-P energy: -130.352 bonds (distance) P-C4' energy: -137.933 flat angles C4'-P-C4' energy: -117.551 flat angles P-C4'-P energy: -85.952 tors. eta vs tors. theta energy: 10.008 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: 9 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -660.473512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.473512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.473512 (E_RNA) where: Base-Base interactions energy: -290.543 where: short stacking energy: -201.558 Base-Backbone interact. energy: -5.353 local terms energy: -364.577254 where: bonds (distance) C4'-P energy: -110.596 bonds (distance) P-C4' energy: -126.010 flat angles C4'-P-C4' energy: -92.328 flat angles P-C4'-P energy: -50.734 tors. eta vs tors. theta energy: 15.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -2803.764314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.764314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.764314 (E_RNA) where: Base-Base interactions energy: -1956.460 where: short stacking energy: -840.882 Base-Backbone interact. energy: 4.667 local terms energy: -851.971698 where: bonds (distance) C4'-P energy: -142.506 bonds (distance) P-C4' energy: -164.551 flat angles C4'-P-C4' energy: -187.377 flat angles P-C4'-P energy: -127.452 tors. eta vs tors. theta energy: -230.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -2646.621936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.621936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.621936 (E_RNA) where: Base-Base interactions energy: -1812.745 where: short stacking energy: -755.976 Base-Backbone interact. energy: -3.690 local terms energy: -830.187478 where: bonds (distance) C4'-P energy: -156.222 bonds (distance) P-C4' energy: -140.185 flat angles C4'-P-C4' energy: -177.494 flat angles P-C4'-P energy: -131.669 tors. eta vs tors. theta energy: -224.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -2524.431941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.431941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.431941 (E_RNA) where: Base-Base interactions energy: -1720.070 where: short stacking energy: -699.060 Base-Backbone interact. energy: -7.865 local terms energy: -796.497630 where: bonds (distance) C4'-P energy: -151.397 bonds (distance) P-C4' energy: -166.422 flat angles C4'-P-C4' energy: -165.721 flat angles P-C4'-P energy: -106.452 tors. eta vs tors. theta energy: -206.505 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: 4, replica: 6 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -2436.483517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.483517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.483517 (E_RNA) where: Base-Base interactions energy: -1646.683 where: short stacking energy: -708.649 Base-Backbone interact. energy: -2.790 local terms energy: -787.010930 where: bonds (distance) C4'-P energy: -158.088 bonds (distance) P-C4' energy: -138.287 flat angles C4'-P-C4' energy: -172.282 flat angles P-C4'-P energy: -113.383 tors. eta vs tors. theta energy: -204.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -2128.152242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.152242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.152242 (E_RNA) where: Base-Base interactions energy: -1420.222 where: short stacking energy: -592.476 Base-Backbone interact. energy: -1.374 local terms energy: -706.555798 where: bonds (distance) C4'-P energy: -145.679 bonds (distance) P-C4' energy: -129.554 flat angles C4'-P-C4' energy: -152.304 flat angles P-C4'-P energy: -107.832 tors. eta vs tors. theta energy: -171.186 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: 6, replica: 5 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -1937.195450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.195450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.195450 (E_RNA) where: Base-Base interactions energy: -1273.772 where: short stacking energy: -562.156 Base-Backbone interact. energy: -1.347 local terms energy: -662.076059 where: bonds (distance) C4'-P energy: -138.221 bonds (distance) P-C4' energy: -130.814 flat angles C4'-P-C4' energy: -138.236 flat angles P-C4'-P energy: -99.606 tors. eta vs tors. theta energy: -155.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -1650.138992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.138992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.138992 (E_RNA) where: Base-Base interactions energy: -1057.706 where: short stacking energy: -463.322 Base-Backbone interact. energy: -3.675 local terms energy: -588.758111 where: bonds (distance) C4'-P energy: -138.420 bonds (distance) P-C4' energy: -118.587 flat angles C4'-P-C4' energy: -139.904 flat angles P-C4'-P energy: -76.585 tors. eta vs tors. theta energy: -115.262 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: 3 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -1420.717415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.717415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.717415 (E_RNA) where: Base-Base interactions energy: -863.967 where: short stacking energy: -388.151 Base-Backbone interact. energy: 4.681 local terms energy: -561.431517 where: bonds (distance) C4'-P energy: -121.684 bonds (distance) P-C4' energy: -140.798 flat angles C4'-P-C4' energy: -151.621 flat angles P-C4'-P energy: -82.172 tors. eta vs tors. theta energy: -65.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -778.133187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.133187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.133187 (E_RNA) where: Base-Base interactions energy: -358.737 where: short stacking energy: -220.841 Base-Backbone interact. energy: 2.377 local terms energy: -421.772719 where: bonds (distance) C4'-P energy: -135.966 bonds (distance) P-C4' energy: -132.386 flat angles C4'-P-C4' energy: -114.962 flat angles P-C4'-P energy: -74.688 tors. eta vs tors. theta energy: 36.228 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: 10, replica: 9 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -645.396226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.396226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.396226 (E_RNA) where: Base-Base interactions energy: -236.161 where: short stacking energy: -181.187 Base-Backbone interact. energy: 6.187 local terms energy: -415.422354 where: bonds (distance) C4'-P energy: -132.038 bonds (distance) P-C4' energy: -136.899 flat angles C4'-P-C4' energy: -116.460 flat angles P-C4'-P energy: -61.393 tors. eta vs tors. theta energy: 31.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -2811.800944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.800944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.800944 (E_RNA) where: Base-Base interactions energy: -1948.937 where: short stacking energy: -842.983 Base-Backbone interact. energy: 1.634 local terms energy: -864.497641 where: bonds (distance) C4'-P energy: -158.845 bonds (distance) P-C4' energy: -147.328 flat angles C4'-P-C4' energy: -187.494 flat angles P-C4'-P energy: -133.770 tors. eta vs tors. theta energy: -237.061 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: 2, replica: 4 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -2663.586725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.586725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.586725 (E_RNA) where: Base-Base interactions energy: -1821.186 where: short stacking energy: -754.367 Base-Backbone interact. energy: -1.315 local terms energy: -841.085903 where: bonds (distance) C4'-P energy: -135.613 bonds (distance) P-C4' energy: -177.851 flat angles C4'-P-C4' energy: -175.193 flat angles P-C4'-P energy: -125.924 tors. eta vs tors. theta energy: -226.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -2532.401903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.401903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.401903 (E_RNA) where: Base-Base interactions energy: -1735.563 where: short stacking energy: -710.551 Base-Backbone interact. energy: -5.443 local terms energy: -791.396324 where: bonds (distance) C4'-P energy: -150.648 bonds (distance) P-C4' energy: -165.769 flat angles C4'-P-C4' energy: -169.097 flat angles P-C4'-P energy: -108.179 tors. eta vs tors. theta energy: -197.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -2363.865332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.865332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.865332 (E_RNA) where: Base-Base interactions energy: -1600.624 where: short stacking energy: -684.703 Base-Backbone interact. energy: -2.558 local terms energy: -760.683610 where: bonds (distance) C4'-P energy: -131.764 bonds (distance) P-C4' energy: -165.096 flat angles C4'-P-C4' energy: -163.377 flat angles P-C4'-P energy: -112.816 tors. eta vs tors. theta energy: -187.632 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: 5, replica: 1 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -2138.428440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.428440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.428440 (E_RNA) where: Base-Base interactions energy: -1427.124 where: short stacking energy: -600.576 Base-Backbone interact. energy: -0.536 local terms energy: -710.767697 where: bonds (distance) C4'-P energy: -133.520 bonds (distance) P-C4' energy: -149.023 flat angles C4'-P-C4' energy: -166.541 flat angles P-C4'-P energy: -92.980 tors. eta vs tors. theta energy: -168.703 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: 6, replica: 5 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -1927.471069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.471069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.471069 (E_RNA) where: Base-Base interactions energy: -1272.801 where: short stacking energy: -575.086 Base-Backbone interact. energy: -2.277 local terms energy: -652.392285 where: bonds (distance) C4'-P energy: -136.935 bonds (distance) P-C4' energy: -152.282 flat angles C4'-P-C4' energy: -121.104 flat angles P-C4'-P energy: -87.191 tors. eta vs tors. theta energy: -154.880 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: 10 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -1593.356477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.356477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.356477 (E_RNA) where: Base-Base interactions energy: -1011.995 where: short stacking energy: -461.838 Base-Backbone interact. energy: 4.839 local terms energy: -586.200691 where: bonds (distance) C4'-P energy: -135.707 bonds (distance) P-C4' energy: -118.000 flat angles C4'-P-C4' energy: -138.894 flat angles P-C4'-P energy: -77.612 tors. eta vs tors. theta energy: -115.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -1385.660577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.660577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.660577 (E_RNA) where: Base-Base interactions energy: -849.892 where: short stacking energy: -387.725 Base-Backbone interact. energy: -1.113 local terms energy: -534.655338 where: bonds (distance) C4'-P energy: -124.233 bonds (distance) P-C4' energy: -150.396 flat angles C4'-P-C4' energy: -127.985 flat angles P-C4'-P energy: -61.961 tors. eta vs tors. theta energy: -70.080 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: 9, replica: 9 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -712.647081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.647081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.647081 (E_RNA) where: Base-Base interactions energy: -296.962 where: short stacking energy: -201.694 Base-Backbone interact. energy: -0.803 local terms energy: -414.882302 where: bonds (distance) C4'-P energy: -131.048 bonds (distance) P-C4' energy: -152.610 flat angles C4'-P-C4' energy: -102.785 flat angles P-C4'-P energy: -47.127 tors. eta vs tors. theta energy: 18.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -749.512998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.512998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.512998 (E_RNA) where: Base-Base interactions energy: -311.501 where: short stacking energy: -207.128 Base-Backbone interact. energy: 4.617 local terms energy: -442.629126 where: bonds (distance) C4'-P energy: -143.612 bonds (distance) P-C4' energy: -125.693 flat angles C4'-P-C4' energy: -119.366 flat angles P-C4'-P energy: -73.276 tors. eta vs tors. theta energy: 19.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -2784.610229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.610229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.610229 (E_RNA) where: Base-Base interactions energy: -1913.118 where: short stacking energy: -801.332 Base-Backbone interact. energy: -2.685 local terms energy: -868.807068 where: bonds (distance) C4'-P energy: -157.256 bonds (distance) P-C4' energy: -173.786 flat angles C4'-P-C4' energy: -179.442 flat angles P-C4'-P energy: -135.805 tors. eta vs tors. theta energy: -222.517 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: 2, replica: 4 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -2665.075859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.075859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.075859 (E_RNA) where: Base-Base interactions energy: -1837.649 where: short stacking energy: -777.082 Base-Backbone interact. energy: 1.331 local terms energy: -828.758511 where: bonds (distance) C4'-P energy: -157.573 bonds (distance) P-C4' energy: -153.547 flat angles C4'-P-C4' energy: -180.776 flat angles P-C4'-P energy: -106.652 tors. eta vs tors. theta energy: -230.211 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: 3, replica: 8 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -2546.804507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.804507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.804507 (E_RNA) where: Base-Base interactions energy: -1759.360 where: short stacking energy: -699.720 Base-Backbone interact. energy: -2.356 local terms energy: -785.088341 where: bonds (distance) C4'-P energy: -138.877 bonds (distance) P-C4' energy: -157.867 flat angles C4'-P-C4' energy: -163.841 flat angles P-C4'-P energy: -115.529 tors. eta vs tors. theta energy: -208.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -2364.251016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.251016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.251016 (E_RNA) where: Base-Base interactions energy: -1615.010 where: short stacking energy: -696.076 Base-Backbone interact. energy: -2.792 local terms energy: -746.449718 where: bonds (distance) C4'-P energy: -151.338 bonds (distance) P-C4' energy: -134.467 flat angles C4'-P-C4' energy: -164.818 flat angles P-C4'-P energy: -98.335 tors. eta vs tors. theta energy: -197.491 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: 1 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -2096.484892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.484892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.484892 (E_RNA) where: Base-Base interactions energy: -1410.430 where: short stacking energy: -598.640 Base-Backbone interact. energy: -0.360 local terms energy: -685.695247 where: bonds (distance) C4'-P energy: -123.538 bonds (distance) P-C4' energy: -157.173 flat angles C4'-P-C4' energy: -169.618 flat angles P-C4'-P energy: -89.949 tors. eta vs tors. theta energy: -145.418 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: 467 Temperature: 1.150000 Total energy: -1942.461708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.461708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.461708 (E_RNA) where: Base-Base interactions energy: -1296.566 where: short stacking energy: -566.957 Base-Backbone interact. energy: -0.953 local terms energy: -644.942057 where: bonds (distance) C4'-P energy: -107.751 bonds (distance) P-C4' energy: -146.804 flat angles C4'-P-C4' energy: -134.077 flat angles P-C4'-P energy: -104.801 tors. eta vs tors. theta energy: -151.510 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: 10 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -1590.046791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.046791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.046791 (E_RNA) where: Base-Base interactions energy: -967.211 where: short stacking energy: -449.155 Base-Backbone interact. energy: -1.685 local terms energy: -621.150063 where: bonds (distance) C4'-P energy: -151.209 bonds (distance) P-C4' energy: -158.496 flat angles C4'-P-C4' energy: -140.123 flat angles P-C4'-P energy: -82.202 tors. eta vs tors. theta energy: -89.120 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: 3 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -1379.944271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.944271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.944271 (E_RNA) where: Base-Base interactions energy: -822.180 where: short stacking energy: -415.468 Base-Backbone interact. energy: 0.412 local terms energy: -558.176286 where: bonds (distance) C4'-P energy: -117.674 bonds (distance) P-C4' energy: -133.566 flat angles C4'-P-C4' energy: -136.316 flat angles P-C4'-P energy: -86.448 tors. eta vs tors. theta energy: -84.173 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: 9 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -701.123743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.123743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.123743 (E_RNA) where: Base-Base interactions energy: -255.859 where: short stacking energy: -227.746 Base-Backbone interact. energy: -0.273 local terms energy: -444.992352 where: bonds (distance) C4'-P energy: -124.081 bonds (distance) P-C4' energy: -136.330 flat angles C4'-P-C4' energy: -113.186 flat angles P-C4'-P energy: -74.120 tors. eta vs tors. theta energy: 2.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -747.756185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.756185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.756185 (E_RNA) where: Base-Base interactions energy: -353.497 where: short stacking energy: -216.945 Base-Backbone interact. energy: 2.610 local terms energy: -396.869404 where: bonds (distance) C4'-P energy: -135.277 bonds (distance) P-C4' energy: -129.219 flat angles C4'-P-C4' energy: -98.962 flat angles P-C4'-P energy: -48.311 tors. eta vs tors. theta energy: 14.899 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: 2 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -2786.744572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.744572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.744572 (E_RNA) where: Base-Base interactions energy: -1917.704 where: short stacking energy: -813.065 Base-Backbone interact. energy: -4.799 local terms energy: -864.241193 where: bonds (distance) C4'-P energy: -170.125 bonds (distance) P-C4' energy: -169.259 flat angles C4'-P-C4' energy: -187.928 flat angles P-C4'-P energy: -107.128 tors. eta vs tors. theta energy: -229.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -2640.823079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.823079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.823079 (E_RNA) where: Base-Base interactions energy: -1811.611 where: short stacking energy: -754.470 Base-Backbone interact. energy: -6.509 local terms energy: -822.703096 where: bonds (distance) C4'-P energy: -151.210 bonds (distance) P-C4' energy: -158.285 flat angles C4'-P-C4' energy: -182.602 flat angles P-C4'-P energy: -105.694 tors. eta vs tors. theta energy: -224.913 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: 3, replica: 8 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -2540.781331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.781331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.781331 (E_RNA) where: Base-Base interactions energy: -1747.983 where: short stacking energy: -727.250 Base-Backbone interact. energy: -0.936 local terms energy: -791.861847 where: bonds (distance) C4'-P energy: -151.258 bonds (distance) P-C4' energy: -155.591 flat angles C4'-P-C4' energy: -155.540 flat angles P-C4'-P energy: -117.846 tors. eta vs tors. theta energy: -211.627 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: 6 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -2368.529540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.529540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.529540 (E_RNA) where: Base-Base interactions energy: -1604.421 where: short stacking energy: -699.505 Base-Backbone interact. energy: -4.685 local terms energy: -759.424228 where: bonds (distance) C4'-P energy: -131.126 bonds (distance) P-C4' energy: -153.709 flat angles C4'-P-C4' energy: -172.660 flat angles P-C4'-P energy: -99.148 tors. eta vs tors. theta energy: -202.780 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: 1 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -2086.428070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.428070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.428070 (E_RNA) where: Base-Base interactions energy: -1382.318 where: short stacking energy: -583.452 Base-Backbone interact. energy: -2.997 local terms energy: -701.112251 where: bonds (distance) C4'-P energy: -146.406 bonds (distance) P-C4' energy: -148.730 flat angles C4'-P-C4' energy: -164.767 flat angles P-C4'-P energy: -104.482 tors. eta vs tors. theta energy: -136.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -1932.557701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.557701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.557701 (E_RNA) where: Base-Base interactions energy: -1285.158 where: short stacking energy: -586.088 Base-Backbone interact. energy: -4.312 local terms energy: -643.087011 where: bonds (distance) C4'-P energy: -127.409 bonds (distance) P-C4' energy: -145.593 flat angles C4'-P-C4' energy: -148.933 flat angles P-C4'-P energy: -71.444 tors. eta vs tors. theta energy: -149.708 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: 10 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -1640.799959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.799959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.799959 (E_RNA) where: Base-Base interactions energy: -1002.257 where: short stacking energy: -489.952 Base-Backbone interact. energy: -1.861 local terms energy: -636.681782 where: bonds (distance) C4'-P energy: -134.808 bonds (distance) P-C4' energy: -136.143 flat angles C4'-P-C4' energy: -154.770 flat angles P-C4'-P energy: -104.435 tors. eta vs tors. theta energy: -106.525 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: 3 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -1376.080812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.080812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.080812 (E_RNA) where: Base-Base interactions energy: -835.231 where: short stacking energy: -408.654 Base-Backbone interact. energy: -1.337 local terms energy: -539.511912 where: bonds (distance) C4'-P energy: -140.974 bonds (distance) P-C4' energy: -112.473 flat angles C4'-P-C4' energy: -135.486 flat angles P-C4'-P energy: -78.489 tors. eta vs tors. theta energy: -72.090 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: 7 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -787.041976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.041976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.041976 (E_RNA) where: Base-Base interactions energy: -366.917 where: short stacking energy: -212.296 Base-Backbone interact. energy: 3.709 local terms energy: -423.834241 where: bonds (distance) C4'-P energy: -112.257 bonds (distance) P-C4' energy: -134.001 flat angles C4'-P-C4' energy: -101.069 flat angles P-C4'-P energy: -87.844 tors. eta vs tors. theta energy: 11.338 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: 10, replica: 9 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -670.883545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.883545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.883545 (E_RNA) where: Base-Base interactions energy: -280.022 where: short stacking energy: -188.699 Base-Backbone interact. energy: 5.011 local terms energy: -395.873043 where: bonds (distance) C4'-P energy: -129.449 bonds (distance) P-C4' energy: -140.798 flat angles C4'-P-C4' energy: -100.262 flat angles P-C4'-P energy: -66.241 tors. eta vs tors. theta energy: 40.878 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: 2 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -2772.557102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.557102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.557102 (E_RNA) where: Base-Base interactions energy: -1883.859 where: short stacking energy: -814.084 Base-Backbone interact. energy: -0.598 local terms energy: -888.099714 where: bonds (distance) C4'-P energy: -163.495 bonds (distance) P-C4' energy: -170.512 flat angles C4'-P-C4' energy: -189.296 flat angles P-C4'-P energy: -130.125 tors. eta vs tors. theta energy: -234.671 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: 469 Temperature: 0.950000 Total energy: -2619.428790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.428790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.428790 (E_RNA) where: Base-Base interactions energy: -1796.706 where: short stacking energy: -725.823 Base-Backbone interact. energy: -4.352 local terms energy: -818.369999 where: bonds (distance) C4'-P energy: -159.539 bonds (distance) P-C4' energy: -150.184 flat angles C4'-P-C4' energy: -165.033 flat angles P-C4'-P energy: -130.926 tors. eta vs tors. theta energy: -212.688 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: 8 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -2531.861822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.861822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.861822 (E_RNA) where: Base-Base interactions energy: -1737.423 where: short stacking energy: -716.293 Base-Backbone interact. energy: -5.450 local terms energy: -788.989104 where: bonds (distance) C4'-P energy: -145.373 bonds (distance) P-C4' energy: -172.054 flat angles C4'-P-C4' energy: -172.719 flat angles P-C4'-P energy: -114.180 tors. eta vs tors. theta energy: -184.663 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: 6 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -2364.616454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.616454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.616454 (E_RNA) where: Base-Base interactions energy: -1621.728 where: short stacking energy: -715.083 Base-Backbone interact. energy: -0.059 local terms energy: -742.829189 where: bonds (distance) C4'-P energy: -123.537 bonds (distance) P-C4' energy: -142.410 flat angles C4'-P-C4' energy: -164.920 flat angles P-C4'-P energy: -117.956 tors. eta vs tors. theta energy: -194.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -2105.397351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.397351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.397351 (E_RNA) where: Base-Base interactions energy: -1390.139 where: short stacking energy: -600.904 Base-Backbone interact. energy: -3.291 local terms energy: -711.967214 where: bonds (distance) C4'-P energy: -154.860 bonds (distance) P-C4' energy: -142.191 flat angles C4'-P-C4' energy: -162.269 flat angles P-C4'-P energy: -92.075 tors. eta vs tors. theta energy: -160.571 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: 6, replica: 5 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -1926.201560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.201560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.201560 (E_RNA) where: Base-Base interactions energy: -1237.996 where: short stacking energy: -542.216 Base-Backbone interact. energy: -0.944 local terms energy: -687.261244 where: bonds (distance) C4'-P energy: -141.787 bonds (distance) P-C4' energy: -156.043 flat angles C4'-P-C4' energy: -154.301 flat angles P-C4'-P energy: -92.832 tors. eta vs tors. theta energy: -142.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -1631.153873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.153873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.153873 (E_RNA) where: Base-Base interactions energy: -1009.356 where: short stacking energy: -474.875 Base-Backbone interact. energy: 1.641 local terms energy: -623.438665 where: bonds (distance) C4'-P energy: -129.614 bonds (distance) P-C4' energy: -157.408 flat angles C4'-P-C4' energy: -133.744 flat angles P-C4'-P energy: -85.900 tors. eta vs tors. theta energy: -116.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -1430.234876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.234876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.234876 (E_RNA) where: Base-Base interactions energy: -867.137 where: short stacking energy: -376.358 Base-Backbone interact. energy: -0.117 local terms energy: -562.980407 where: bonds (distance) C4'-P energy: -146.533 bonds (distance) P-C4' energy: -144.349 flat angles C4'-P-C4' energy: -123.006 flat angles P-C4'-P energy: -84.902 tors. eta vs tors. theta energy: -64.192 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: 9, replica: 7 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -816.106529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.106529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.106529 (E_RNA) where: Base-Base interactions energy: -381.740 where: short stacking energy: -223.895 Base-Backbone interact. energy: 1.066 local terms energy: -435.432681 where: bonds (distance) C4'-P energy: -129.100 bonds (distance) P-C4' energy: -127.998 flat angles C4'-P-C4' energy: -101.067 flat angles P-C4'-P energy: -93.742 tors. eta vs tors. theta energy: 16.475 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: 10, replica: 9 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -669.292551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.292551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.292551 (E_RNA) where: Base-Base interactions energy: -279.558 where: short stacking energy: -202.811 Base-Backbone interact. energy: 1.597 local terms energy: -391.331702 where: bonds (distance) C4'-P energy: -115.870 bonds (distance) P-C4' energy: -134.986 flat angles C4'-P-C4' energy: -91.425 flat angles P-C4'-P energy: -65.547 tors. eta vs tors. theta energy: 16.498 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: 2 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -2809.778041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.778041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.778041 (E_RNA) where: Base-Base interactions energy: -1940.200 where: short stacking energy: -837.787 Base-Backbone interact. energy: -3.129 local terms energy: -866.449459 where: bonds (distance) C4'-P energy: -166.730 bonds (distance) P-C4' energy: -157.361 flat angles C4'-P-C4' energy: -189.688 flat angles P-C4'-P energy: -115.368 tors. eta vs tors. theta energy: -237.302 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: 4 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -2659.010875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.010875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.010875 (E_RNA) where: Base-Base interactions energy: -1807.380 where: short stacking energy: -788.699 Base-Backbone interact. energy: -1.791 local terms energy: -849.840312 where: bonds (distance) C4'-P energy: -158.345 bonds (distance) P-C4' energy: -164.371 flat angles C4'-P-C4' energy: -172.136 flat angles P-C4'-P energy: -129.961 tors. eta vs tors. theta energy: -225.026 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: 8 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -2527.705252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.705252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.705252 (E_RNA) where: Base-Base interactions energy: -1736.588 where: short stacking energy: -736.436 Base-Backbone interact. energy: -3.141 local terms energy: -787.975649 where: bonds (distance) C4'-P energy: -139.441 bonds (distance) P-C4' energy: -162.494 flat angles C4'-P-C4' energy: -176.924 flat angles P-C4'-P energy: -112.044 tors. eta vs tors. theta energy: -197.073 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: 4, replica: 6 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -2347.201263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.201263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.201263 (E_RNA) where: Base-Base interactions energy: -1576.286 where: short stacking energy: -706.445 Base-Backbone interact. energy: -2.950 local terms energy: -767.965834 where: bonds (distance) C4'-P energy: -139.177 bonds (distance) P-C4' energy: -154.074 flat angles C4'-P-C4' energy: -163.720 flat angles P-C4'-P energy: -108.084 tors. eta vs tors. theta energy: -202.911 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: 5, replica: 1 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -2061.158145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.158145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.158145 (E_RNA) where: Base-Base interactions energy: -1370.331 where: short stacking energy: -607.717 Base-Backbone interact. energy: -1.049 local terms energy: -689.778295 where: bonds (distance) C4'-P energy: -128.889 bonds (distance) P-C4' energy: -138.055 flat angles C4'-P-C4' energy: -151.455 flat angles P-C4'-P energy: -107.363 tors. eta vs tors. theta energy: -164.016 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: 6, replica: 5 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -1872.674267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.674267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.674267 (E_RNA) where: Base-Base interactions energy: -1205.288 where: short stacking energy: -565.311 Base-Backbone interact. energy: 4.480 local terms energy: -671.866573 where: bonds (distance) C4'-P energy: -131.989 bonds (distance) P-C4' energy: -143.320 flat angles C4'-P-C4' energy: -155.429 flat angles P-C4'-P energy: -96.443 tors. eta vs tors. theta energy: -144.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -1598.493203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.493203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.493203 (E_RNA) where: Base-Base interactions energy: -1011.417 where: short stacking energy: -462.668 Base-Backbone interact. energy: 1.448 local terms energy: -588.524074 where: bonds (distance) C4'-P energy: -124.076 bonds (distance) P-C4' energy: -142.525 flat angles C4'-P-C4' energy: -133.314 flat angles P-C4'-P energy: -89.163 tors. eta vs tors. theta energy: -99.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -1408.260789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.260789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.260789 (E_RNA) where: Base-Base interactions energy: -831.601 where: short stacking energy: -378.198 Base-Backbone interact. energy: -4.000 local terms energy: -572.659822 where: bonds (distance) C4'-P energy: -146.247 bonds (distance) P-C4' energy: -154.700 flat angles C4'-P-C4' energy: -133.768 flat angles P-C4'-P energy: -79.840 tors. eta vs tors. theta energy: -58.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -815.597600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.597600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.597600 (E_RNA) where: Base-Base interactions energy: -398.640 where: short stacking energy: -230.370 Base-Backbone interact. energy: -0.076 local terms energy: -416.881376 where: bonds (distance) C4'-P energy: -121.063 bonds (distance) P-C4' energy: -131.245 flat angles C4'-P-C4' energy: -102.405 flat angles P-C4'-P energy: -61.317 tors. eta vs tors. theta energy: -0.851 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: 9 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -667.002413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.002413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.002413 (E_RNA) where: Base-Base interactions energy: -240.678 where: short stacking energy: -151.331 Base-Backbone interact. energy: 6.631 local terms energy: -432.955051 where: bonds (distance) C4'-P energy: -124.737 bonds (distance) P-C4' energy: -139.002 flat angles C4'-P-C4' energy: -120.433 flat angles P-C4'-P energy: -53.348 tors. eta vs tors. theta energy: 4.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -2785.500185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.500185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.500185 (E_RNA) where: Base-Base interactions energy: -1919.581 where: short stacking energy: -808.832 Base-Backbone interact. energy: -4.132 local terms energy: -861.786609 where: bonds (distance) C4'-P energy: -163.508 bonds (distance) P-C4' energy: -161.049 flat angles C4'-P-C4' energy: -177.758 flat angles P-C4'-P energy: -118.393 tors. eta vs tors. theta energy: -241.077 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: 2, replica: 4 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -2622.199053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.199053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.199053 (E_RNA) where: Base-Base interactions energy: -1805.651 where: short stacking energy: -742.168 Base-Backbone interact. energy: -8.083 local terms energy: -808.464605 where: bonds (distance) C4'-P energy: -139.266 bonds (distance) P-C4' energy: -154.800 flat angles C4'-P-C4' energy: -169.997 flat angles P-C4'-P energy: -136.927 tors. eta vs tors. theta energy: -207.475 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: 8 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -2547.661785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.661785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.661785 (E_RNA) where: Base-Base interactions energy: -1751.589 where: short stacking energy: -722.716 Base-Backbone interact. energy: -8.601 local terms energy: -787.471743 where: bonds (distance) C4'-P energy: -176.449 bonds (distance) P-C4' energy: -154.636 flat angles C4'-P-C4' energy: -151.377 flat angles P-C4'-P energy: -92.380 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: 6 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -2361.548508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.548508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.548508 (E_RNA) where: Base-Base interactions energy: -1590.281 where: short stacking energy: -688.628 Base-Backbone interact. energy: -2.258 local terms energy: -769.009422 where: bonds (distance) C4'-P energy: -146.406 bonds (distance) P-C4' energy: -160.406 flat angles C4'-P-C4' energy: -154.790 flat angles P-C4'-P energy: -98.031 tors. eta vs tors. theta energy: -209.376 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: 1 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -2080.524331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.524331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.524331 (E_RNA) where: Base-Base interactions energy: -1399.372 where: short stacking energy: -623.034 Base-Backbone interact. energy: 4.169 local terms energy: -685.321496 where: bonds (distance) C4'-P energy: -148.030 bonds (distance) P-C4' energy: -153.157 flat angles C4'-P-C4' energy: -160.471 flat angles P-C4'-P energy: -72.982 tors. eta vs tors. theta energy: -150.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -1955.289341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.289341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.289341 (E_RNA) where: Base-Base interactions energy: -1279.176 where: short stacking energy: -588.742 Base-Backbone interact. energy: 1.152 local terms energy: -677.265475 where: bonds (distance) C4'-P energy: -133.035 bonds (distance) P-C4' energy: -149.397 flat angles C4'-P-C4' energy: -147.282 flat angles P-C4'-P energy: -102.559 tors. eta vs tors. theta energy: -144.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -1615.925699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.925699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.925699 (E_RNA) where: Base-Base interactions energy: -1033.943 where: short stacking energy: -488.269 Base-Backbone interact. energy: -5.163 local terms energy: -576.819676 where: bonds (distance) C4'-P energy: -110.648 bonds (distance) P-C4' energy: -143.750 flat angles C4'-P-C4' energy: -139.833 flat angles P-C4'-P energy: -73.448 tors. eta vs tors. theta energy: -109.142 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: 8, replica: 3 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -1386.292692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.292692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.292692 (E_RNA) where: Base-Base interactions energy: -869.240 where: short stacking energy: -394.927 Base-Backbone interact. energy: 1.587 local terms energy: -518.639460 where: bonds (distance) C4'-P energy: -148.999 bonds (distance) P-C4' energy: -115.953 flat angles C4'-P-C4' energy: -139.195 flat angles P-C4'-P energy: -65.065 tors. eta vs tors. theta energy: -49.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -821.290398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.290398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.290398 (E_RNA) where: Base-Base interactions energy: -350.858 where: short stacking energy: -218.909 Base-Backbone interact. energy: 0.105 local terms energy: -470.537526 where: bonds (distance) C4'-P energy: -113.364 bonds (distance) P-C4' energy: -149.288 flat angles C4'-P-C4' energy: -126.482 flat angles P-C4'-P energy: -71.911 tors. eta vs tors. theta energy: -9.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -671.733546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.733546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.733546 (E_RNA) where: Base-Base interactions energy: -237.060 where: short stacking energy: -196.276 Base-Backbone interact. energy: 6.889 local terms energy: -441.562747 where: bonds (distance) C4'-P energy: -132.569 bonds (distance) P-C4' energy: -135.786 flat angles C4'-P-C4' energy: -101.195 flat angles P-C4'-P energy: -85.388 tors. eta vs tors. theta energy: 13.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -2817.983651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.983651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.983651 (E_RNA) where: Base-Base interactions energy: -1955.571 where: short stacking energy: -833.973 Base-Backbone interact. energy: 1.188 local terms energy: -863.600588 where: bonds (distance) C4'-P energy: -154.752 bonds (distance) P-C4' energy: -155.407 flat angles C4'-P-C4' energy: -187.240 flat angles P-C4'-P energy: -121.333 tors. eta vs tors. theta energy: -244.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -2645.872393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.872393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.872393 (E_RNA) where: Base-Base interactions energy: -1824.886 where: short stacking energy: -724.421 Base-Backbone interact. energy: -6.247 local terms energy: -814.739048 where: bonds (distance) C4'-P energy: -156.410 bonds (distance) P-C4' energy: -155.304 flat angles C4'-P-C4' energy: -176.820 flat angles P-C4'-P energy: -116.525 tors. eta vs tors. theta energy: -209.680 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: 8 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -2495.286207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.286207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.286207 (E_RNA) where: Base-Base interactions energy: -1702.489 where: short stacking energy: -681.007 Base-Backbone interact. energy: -1.407 local terms energy: -791.390765 where: bonds (distance) C4'-P energy: -144.337 bonds (distance) P-C4' energy: -154.131 flat angles C4'-P-C4' energy: -186.021 flat angles P-C4'-P energy: -110.520 tors. eta vs tors. theta energy: -196.382 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: 6 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -2356.780260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.780260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.780260 (E_RNA) where: Base-Base interactions energy: -1555.251 where: short stacking energy: -686.801 Base-Backbone interact. energy: -2.312 local terms energy: -799.217788 where: bonds (distance) C4'-P energy: -162.253 bonds (distance) P-C4' energy: -136.461 flat angles C4'-P-C4' energy: -179.601 flat angles P-C4'-P energy: -111.473 tors. eta vs tors. theta energy: -209.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -2130.378594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.378594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.378594 (E_RNA) where: Base-Base interactions energy: -1425.896 where: short stacking energy: -608.428 Base-Backbone interact. energy: 5.208 local terms energy: -709.690621 where: bonds (distance) C4'-P energy: -142.252 bonds (distance) P-C4' energy: -149.451 flat angles C4'-P-C4' energy: -145.859 flat angles P-C4'-P energy: -119.464 tors. eta vs tors. theta energy: -152.664 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: 6, replica: 5 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -1928.333288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.333288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.333288 (E_RNA) where: Base-Base interactions energy: -1244.401 where: short stacking energy: -567.221 Base-Backbone interact. energy: 0.739 local terms energy: -684.670663 where: bonds (distance) C4'-P energy: -130.479 bonds (distance) P-C4' energy: -147.178 flat angles C4'-P-C4' energy: -149.933 flat angles P-C4'-P energy: -99.388 tors. eta vs tors. theta energy: -157.692 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: 10 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -1580.588312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.588312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.588312 (E_RNA) where: Base-Base interactions energy: -974.430 where: short stacking energy: -437.943 Base-Backbone interact. energy: -0.314 local terms energy: -605.844169 where: bonds (distance) C4'-P energy: -136.439 bonds (distance) P-C4' energy: -122.868 flat angles C4'-P-C4' energy: -169.519 flat angles P-C4'-P energy: -87.320 tors. eta vs tors. theta energy: -89.697 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: 8, replica: 3 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -1416.384912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.384912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.384912 (E_RNA) where: Base-Base interactions energy: -869.830 where: short stacking energy: -383.840 Base-Backbone interact. energy: 0.928 local terms energy: -547.483064 where: bonds (distance) C4'-P energy: -131.053 bonds (distance) P-C4' energy: -144.026 flat angles C4'-P-C4' energy: -112.559 flat angles P-C4'-P energy: -81.497 tors. eta vs tors. theta energy: -78.349 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: 9, replica: 9 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -759.509491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.509491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.509491 (E_RNA) where: Base-Base interactions energy: -313.960 where: short stacking energy: -197.251 Base-Backbone interact. energy: -0.339 local terms energy: -445.210762 where: bonds (distance) C4'-P energy: -147.322 bonds (distance) P-C4' energy: -145.092 flat angles C4'-P-C4' energy: -100.893 flat angles P-C4'-P energy: -66.302 tors. eta vs tors. theta energy: 14.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -770.370410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.370410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.370410 (E_RNA) where: Base-Base interactions energy: -371.798 where: short stacking energy: -200.923 Base-Backbone interact. energy: -2.618 local terms energy: -395.954009 where: bonds (distance) C4'-P energy: -113.558 bonds (distance) P-C4' energy: -114.685 flat angles C4'-P-C4' energy: -113.574 flat angles P-C4'-P energy: -62.300 tors. eta vs tors. theta energy: 8.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -2833.728037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.728037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.728037 (E_RNA) where: Base-Base interactions energy: -1961.430 where: short stacking energy: -815.943 Base-Backbone interact. energy: -1.431 local terms energy: -870.867192 where: bonds (distance) C4'-P energy: -177.148 bonds (distance) P-C4' energy: -174.005 flat angles C4'-P-C4' energy: -181.489 flat angles P-C4'-P energy: -112.684 tors. eta vs tors. theta energy: -225.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -2657.119622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.119622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.119622 (E_RNA) where: Base-Base interactions energy: -1853.699 where: short stacking energy: -769.962 Base-Backbone interact. energy: -3.836 local terms energy: -799.585168 where: bonds (distance) C4'-P energy: -144.025 bonds (distance) P-C4' energy: -154.474 flat angles C4'-P-C4' energy: -185.073 flat angles P-C4'-P energy: -101.746 tors. eta vs tors. theta energy: -214.267 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: 8 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -2537.643803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.643803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.643803 (E_RNA) where: Base-Base interactions energy: -1746.057 where: short stacking energy: -722.152 Base-Backbone interact. energy: -3.116 local terms energy: -788.470004 where: bonds (distance) C4'-P energy: -150.732 bonds (distance) P-C4' energy: -145.195 flat angles C4'-P-C4' energy: -179.871 flat angles P-C4'-P energy: -115.766 tors. eta vs tors. theta energy: -196.907 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: 4, replica: 6 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -2302.272248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.272248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.272248 (E_RNA) where: Base-Base interactions energy: -1543.089 where: short stacking energy: -662.467 Base-Backbone interact. energy: -0.333 local terms energy: -758.850209 where: bonds (distance) C4'-P energy: -136.426 bonds (distance) P-C4' energy: -154.085 flat angles C4'-P-C4' energy: -159.996 flat angles P-C4'-P energy: -118.831 tors. eta vs tors. theta energy: -189.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -2134.131582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.131582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.131582 (E_RNA) where: Base-Base interactions energy: -1421.862 where: short stacking energy: -609.537 Base-Backbone interact. energy: -1.554 local terms energy: -710.716067 where: bonds (distance) C4'-P energy: -141.481 bonds (distance) P-C4' energy: -142.138 flat angles C4'-P-C4' energy: -164.830 flat angles P-C4'-P energy: -93.205 tors. eta vs tors. theta energy: -169.062 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: 473 Temperature: 1.150000 Total energy: -1918.450857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.450857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.450857 (E_RNA) where: Base-Base interactions energy: -1227.059 where: short stacking energy: -569.854 Base-Backbone interact. energy: -1.582 local terms energy: -689.809213 where: bonds (distance) C4'-P energy: -135.209 bonds (distance) P-C4' energy: -152.571 flat angles C4'-P-C4' energy: -156.985 flat angles P-C4'-P energy: -101.995 tors. eta vs tors. theta energy: -143.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -1592.604751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.604751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.604751 (E_RNA) where: Base-Base interactions energy: -989.979 where: short stacking energy: -457.667 Base-Backbone interact. energy: 0.097 local terms energy: -602.723298 where: bonds (distance) C4'-P energy: -136.573 bonds (distance) P-C4' energy: -138.581 flat angles C4'-P-C4' energy: -136.818 flat angles P-C4'-P energy: -102.089 tors. eta vs tors. theta energy: -88.662 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: 8, replica: 3 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -1342.883341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.883341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.883341 (E_RNA) where: Base-Base interactions energy: -784.451 where: short stacking energy: -387.118 Base-Backbone interact. energy: -0.505 local terms energy: -557.927754 where: bonds (distance) C4'-P energy: -121.448 bonds (distance) P-C4' energy: -135.288 flat angles C4'-P-C4' energy: -153.367 flat angles P-C4'-P energy: -77.325 tors. eta vs tors. theta energy: -70.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -882.443853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.443853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.443853 (E_RNA) where: Base-Base interactions energy: -407.595 where: short stacking energy: -245.068 Base-Backbone interact. energy: 3.835 local terms energy: -478.683301 where: bonds (distance) C4'-P energy: -128.549 bonds (distance) P-C4' energy: -136.215 flat angles C4'-P-C4' energy: -135.348 flat angles P-C4'-P energy: -74.217 tors. eta vs tors. theta energy: -4.355 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: 10, replica: 7 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -707.900516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.900516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.900516 (E_RNA) where: Base-Base interactions energy: -280.411 where: short stacking energy: -190.604 Base-Backbone interact. energy: -1.181 local terms energy: -426.308619 where: bonds (distance) C4'-P energy: -116.200 bonds (distance) P-C4' energy: -150.731 flat angles C4'-P-C4' energy: -111.972 flat angles P-C4'-P energy: -71.769 tors. eta vs tors. theta energy: 24.363 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: 1, replica: 2 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -2821.199541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.199541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.199541 (E_RNA) where: Base-Base interactions energy: -1946.250 where: short stacking energy: -828.963 Base-Backbone interact. energy: 2.448 local terms energy: -877.397400 where: bonds (distance) C4'-P energy: -165.427 bonds (distance) P-C4' energy: -160.327 flat angles C4'-P-C4' energy: -188.053 flat angles P-C4'-P energy: -127.320 tors. eta vs tors. theta energy: -236.270 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: 4 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -2688.103492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.103492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.103492 (E_RNA) where: Base-Base interactions energy: -1863.659 where: short stacking energy: -765.384 Base-Backbone interact. energy: -4.265 local terms energy: -820.178982 where: bonds (distance) C4'-P energy: -156.640 bonds (distance) P-C4' energy: -153.921 flat angles C4'-P-C4' energy: -176.431 flat angles P-C4'-P energy: -115.844 tors. eta vs tors. theta energy: -217.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -2545.298884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.298884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.298884 (E_RNA) where: Base-Base interactions energy: -1747.148 where: short stacking energy: -704.414 Base-Backbone interact. energy: 0.443 local terms energy: -798.593844 where: bonds (distance) C4'-P energy: -161.261 bonds (distance) P-C4' energy: -160.499 flat angles C4'-P-C4' energy: -167.511 flat angles P-C4'-P energy: -116.760 tors. eta vs tors. theta energy: -192.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -2309.318527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.318527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.318527 (E_RNA) where: Base-Base interactions energy: -1550.305 where: short stacking energy: -686.192 Base-Backbone interact. energy: -1.449 local terms energy: -757.564620 where: bonds (distance) C4'-P energy: -128.399 bonds (distance) P-C4' energy: -157.457 flat angles C4'-P-C4' energy: -161.655 flat angles P-C4'-P energy: -106.605 tors. eta vs tors. theta energy: -203.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -2152.779364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.779364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.779364 (E_RNA) where: Base-Base interactions energy: -1461.006 where: short stacking energy: -598.673 Base-Backbone interact. energy: -0.364 local terms energy: -691.409018 where: bonds (distance) C4'-P energy: -139.646 bonds (distance) P-C4' energy: -138.398 flat angles C4'-P-C4' energy: -155.070 flat angles P-C4'-P energy: -99.083 tors. eta vs tors. theta energy: -159.212 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: 474 Temperature: 1.150000 Total energy: -1978.172311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.172311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.172311 (E_RNA) where: Base-Base interactions energy: -1297.074 where: short stacking energy: -574.477 Base-Backbone interact. energy: -0.455 local terms energy: -680.643799 where: bonds (distance) C4'-P energy: -136.892 bonds (distance) P-C4' energy: -135.495 flat angles C4'-P-C4' energy: -159.384 flat angles P-C4'-P energy: -101.527 tors. eta vs tors. theta energy: -147.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -1570.265048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.265048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.265048 (E_RNA) where: Base-Base interactions energy: -968.033 where: short stacking energy: -478.173 Base-Backbone interact. energy: 4.498 local terms energy: -606.730146 where: bonds (distance) C4'-P energy: -133.982 bonds (distance) P-C4' energy: -139.201 flat angles C4'-P-C4' energy: -140.149 flat angles P-C4'-P energy: -100.123 tors. eta vs tors. theta energy: -93.276 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: 3 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -1352.298891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.298891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.298891 (E_RNA) where: Base-Base interactions energy: -836.530 where: short stacking energy: -388.277 Base-Backbone interact. energy: 1.455 local terms energy: -517.224675 where: bonds (distance) C4'-P energy: -133.070 bonds (distance) P-C4' energy: -129.113 flat angles C4'-P-C4' energy: -125.971 flat angles P-C4'-P energy: -70.458 tors. eta vs tors. theta energy: -58.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -800.325849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.325849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.325849 (E_RNA) where: Base-Base interactions energy: -351.754 where: short stacking energy: -206.261 Base-Backbone interact. energy: 0.871 local terms energy: -449.442260 where: bonds (distance) C4'-P energy: -140.480 bonds (distance) P-C4' energy: -128.035 flat angles C4'-P-C4' energy: -102.581 flat angles P-C4'-P energy: -68.290 tors. eta vs tors. theta energy: -10.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -716.938022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.938022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.938022 (E_RNA) where: Base-Base interactions energy: -295.056 where: short stacking energy: -165.362 Base-Backbone interact. energy: 4.495 local terms energy: -426.377112 where: bonds (distance) C4'-P energy: -121.563 bonds (distance) P-C4' energy: -145.331 flat angles C4'-P-C4' energy: -119.354 flat angles P-C4'-P energy: -64.466 tors. eta vs tors. theta energy: 24.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -2789.332468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.332468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.332468 (E_RNA) where: Base-Base interactions energy: -1905.353 where: short stacking energy: -819.869 Base-Backbone interact. energy: -2.179 local terms energy: -881.800241 where: bonds (distance) C4'-P energy: -167.459 bonds (distance) P-C4' energy: -166.792 flat angles C4'-P-C4' energy: -187.384 flat angles P-C4'-P energy: -112.854 tors. eta vs tors. theta energy: -247.311 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: 2, replica: 4 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -2630.552220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.552220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.552220 (E_RNA) where: Base-Base interactions energy: -1801.799 where: short stacking energy: -747.961 Base-Backbone interact. energy: -4.297 local terms energy: -824.455805 where: bonds (distance) C4'-P energy: -161.924 bonds (distance) P-C4' energy: -160.929 flat angles C4'-P-C4' energy: -178.363 flat angles P-C4'-P energy: -110.015 tors. eta vs tors. theta energy: -213.226 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: 8 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -2541.938093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.938093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.938093 (E_RNA) where: Base-Base interactions energy: -1793.547 where: short stacking energy: -718.212 Base-Backbone interact. energy: -1.498 local terms energy: -746.892993 where: bonds (distance) C4'-P energy: -161.366 bonds (distance) P-C4' energy: -122.893 flat angles C4'-P-C4' energy: -162.408 flat angles P-C4'-P energy: -113.574 tors. eta vs tors. theta energy: -186.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -2332.682591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.682591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.682591 (E_RNA) where: Base-Base interactions energy: -1571.641 where: short stacking energy: -711.217 Base-Backbone interact. energy: 0.192 local terms energy: -761.233767 where: bonds (distance) C4'-P energy: -138.024 bonds (distance) P-C4' energy: -157.766 flat angles C4'-P-C4' energy: -172.890 flat angles P-C4'-P energy: -106.125 tors. eta vs tors. theta energy: -186.429 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: 1 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -2194.101397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.101397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.101397 (E_RNA) where: Base-Base interactions energy: -1466.682 where: short stacking energy: -600.244 Base-Backbone interact. energy: -2.307 local terms energy: -725.112862 where: bonds (distance) C4'-P energy: -146.283 bonds (distance) P-C4' energy: -141.272 flat angles C4'-P-C4' energy: -172.086 flat angles P-C4'-P energy: -109.472 tors. eta vs tors. theta energy: -155.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -1926.452673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.452673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.452673 (E_RNA) where: Base-Base interactions energy: -1263.912 where: short stacking energy: -595.655 Base-Backbone interact. energy: -0.691 local terms energy: -661.849774 where: bonds (distance) C4'-P energy: -144.330 bonds (distance) P-C4' energy: -125.247 flat angles C4'-P-C4' energy: -158.724 flat angles P-C4'-P energy: -81.366 tors. eta vs tors. theta energy: -152.183 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: 10 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -1606.253227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.253227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.253227 (E_RNA) where: Base-Base interactions energy: -993.563 where: short stacking energy: -444.779 Base-Backbone interact. energy: 0.429 local terms energy: -613.119104 where: bonds (distance) C4'-P energy: -130.334 bonds (distance) P-C4' energy: -144.694 flat angles C4'-P-C4' energy: -153.329 flat angles P-C4'-P energy: -88.646 tors. eta vs tors. theta energy: -96.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -1351.682022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.682022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.682022 (E_RNA) where: Base-Base interactions energy: -815.378 where: short stacking energy: -403.326 Base-Backbone interact. energy: -2.230 local terms energy: -534.073679 where: bonds (distance) C4'-P energy: -135.815 bonds (distance) P-C4' energy: -128.630 flat angles C4'-P-C4' energy: -127.711 flat angles P-C4'-P energy: -83.879 tors. eta vs tors. theta energy: -58.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -741.076527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.076527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.076527 (E_RNA) where: Base-Base interactions energy: -324.271 where: short stacking energy: -212.473 Base-Backbone interact. energy: 3.666 local terms energy: -420.472115 where: bonds (distance) C4'-P energy: -119.310 bonds (distance) P-C4' energy: -143.591 flat angles C4'-P-C4' energy: -120.414 flat angles P-C4'-P energy: -55.681 tors. eta vs tors. theta energy: 18.523 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: 10, replica: 7 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -737.652993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.652993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.652993 (E_RNA) where: Base-Base interactions energy: -339.832 where: short stacking energy: -212.541 Base-Backbone interact. energy: 4.731 local terms energy: -402.551376 where: bonds (distance) C4'-P energy: -133.172 bonds (distance) P-C4' energy: -139.041 flat angles C4'-P-C4' energy: -98.815 flat angles P-C4'-P energy: -52.233 tors. eta vs tors. theta energy: 20.710 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: 1, replica: 2 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -2781.190588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.190588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.190588 (E_RNA) where: Base-Base interactions energy: -1915.240 where: short stacking energy: -828.766 Base-Backbone interact. energy: -3.120 local terms energy: -862.831126 where: bonds (distance) C4'-P energy: -166.760 bonds (distance) P-C4' energy: -152.232 flat angles C4'-P-C4' energy: -181.858 flat angles P-C4'-P energy: -115.510 tors. eta vs tors. theta energy: -246.471 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: 476 Temperature: 0.950000 Total energy: -2654.937119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.937119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.937119 (E_RNA) where: Base-Base interactions energy: -1821.962 where: short stacking energy: -775.475 Base-Backbone interact. energy: -8.044 local terms energy: -824.931059 where: bonds (distance) C4'-P energy: -140.019 bonds (distance) P-C4' energy: -164.626 flat angles C4'-P-C4' energy: -177.766 flat angles P-C4'-P energy: -118.358 tors. eta vs tors. theta energy: -224.162 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: 3, replica: 8 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -2575.784461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.784461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.784461 (E_RNA) where: Base-Base interactions energy: -1785.050 where: short stacking energy: -737.199 Base-Backbone interact. energy: -6.254 local terms energy: -784.479992 where: bonds (distance) C4'-P energy: -138.728 bonds (distance) P-C4' energy: -148.728 flat angles C4'-P-C4' energy: -179.634 flat angles P-C4'-P energy: -120.602 tors. eta vs tors. theta energy: -196.788 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: 6 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -2335.476786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.476786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.476786 (E_RNA) where: Base-Base interactions energy: -1590.003 where: short stacking energy: -705.171 Base-Backbone interact. energy: -2.447 local terms energy: -743.027363 where: bonds (distance) C4'-P energy: -136.550 bonds (distance) P-C4' energy: -146.763 flat angles C4'-P-C4' energy: -167.821 flat angles P-C4'-P energy: -95.591 tors. eta vs tors. theta energy: -196.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -2117.049883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.049883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.049883 (E_RNA) where: Base-Base interactions energy: -1401.557 where: short stacking energy: -625.603 Base-Backbone interact. energy: -0.802 local terms energy: -714.691347 where: bonds (distance) C4'-P energy: -134.265 bonds (distance) P-C4' energy: -140.188 flat angles C4'-P-C4' energy: -165.058 flat angles P-C4'-P energy: -104.577 tors. eta vs tors. theta energy: -170.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -1947.078077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.078077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.078077 (E_RNA) where: Base-Base interactions energy: -1266.275 where: short stacking energy: -547.630 Base-Backbone interact. energy: -1.317 local terms energy: -679.485826 where: bonds (distance) C4'-P energy: -135.652 bonds (distance) P-C4' energy: -148.522 flat angles C4'-P-C4' energy: -155.205 flat angles P-C4'-P energy: -96.801 tors. eta vs tors. theta energy: -143.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -1567.687514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.687514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.687514 (E_RNA) where: Base-Base interactions energy: -958.556 where: short stacking energy: -441.291 Base-Backbone interact. energy: -3.405 local terms energy: -605.727024 where: bonds (distance) C4'-P energy: -146.099 bonds (distance) P-C4' energy: -134.520 flat angles C4'-P-C4' energy: -127.855 flat angles P-C4'-P energy: -108.902 tors. eta vs tors. theta energy: -88.351 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: 3 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -1348.215832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.215832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.215832 (E_RNA) where: Base-Base interactions energy: -806.600 where: short stacking energy: -405.521 Base-Backbone interact. energy: -1.349 local terms energy: -540.267399 where: bonds (distance) C4'-P energy: -115.908 bonds (distance) P-C4' energy: -145.868 flat angles C4'-P-C4' energy: -113.795 flat angles P-C4'-P energy: -95.262 tors. eta vs tors. theta energy: -69.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -887.218012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.218012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.218012 (E_RNA) where: Base-Base interactions energy: -429.832 where: short stacking energy: -245.893 Base-Backbone interact. energy: 4.851 local terms energy: -462.236675 where: bonds (distance) C4'-P energy: -137.958 bonds (distance) P-C4' energy: -128.004 flat angles C4'-P-C4' energy: -123.056 flat angles P-C4'-P energy: -60.356 tors. eta vs tors. theta energy: -12.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -716.735750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.735750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.735750 (E_RNA) where: Base-Base interactions energy: -306.047 where: short stacking energy: -206.876 Base-Backbone interact. energy: -5.655 local terms energy: -405.032872 where: bonds (distance) C4'-P energy: -124.072 bonds (distance) P-C4' energy: -116.947 flat angles C4'-P-C4' energy: -92.506 flat angles P-C4'-P energy: -74.409 tors. eta vs tors. theta energy: 2.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -2799.830340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.830340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.830340 (E_RNA) where: Base-Base interactions energy: -1955.352 where: short stacking energy: -860.714 Base-Backbone interact. energy: 0.050 local terms energy: -844.528490 where: bonds (distance) C4'-P energy: -144.260 bonds (distance) P-C4' energy: -155.372 flat angles C4'-P-C4' energy: -183.449 flat angles P-C4'-P energy: -125.239 tors. eta vs tors. theta energy: -236.208 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: 4 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -2670.379796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.379796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.379796 (E_RNA) where: Base-Base interactions energy: -1853.216 where: short stacking energy: -749.087 Base-Backbone interact. energy: -5.964 local terms energy: -811.199435 where: bonds (distance) C4'-P energy: -156.674 bonds (distance) P-C4' energy: -144.342 flat angles C4'-P-C4' energy: -172.963 flat angles P-C4'-P energy: -116.229 tors. eta vs tors. theta energy: -220.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -2529.450017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.450017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.450017 (E_RNA) where: Base-Base interactions energy: -1745.516 where: short stacking energy: -671.221 Base-Backbone interact. energy: -3.357 local terms energy: -780.576372 where: bonds (distance) C4'-P energy: -153.085 bonds (distance) P-C4' energy: -157.205 flat angles C4'-P-C4' energy: -174.769 flat angles P-C4'-P energy: -106.680 tors. eta vs tors. theta energy: -188.838 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: 6 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -2363.375912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.375912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.375912 (E_RNA) where: Base-Base interactions energy: -1616.265 where: short stacking energy: -708.964 Base-Backbone interact. energy: -2.637 local terms energy: -744.473531 where: bonds (distance) C4'-P energy: -121.796 bonds (distance) P-C4' energy: -136.025 flat angles C4'-P-C4' energy: -178.878 flat angles P-C4'-P energy: -102.089 tors. eta vs tors. theta energy: -205.686 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: 5, replica: 1 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -2143.011703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.011703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.011703 (E_RNA) where: Base-Base interactions energy: -1455.029 where: short stacking energy: -625.026 Base-Backbone interact. energy: 1.410 local terms energy: -689.392997 where: bonds (distance) C4'-P energy: -142.466 bonds (distance) P-C4' energy: -137.196 flat angles C4'-P-C4' energy: -150.209 flat angles P-C4'-P energy: -94.586 tors. eta vs tors. theta energy: -164.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -1913.899564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.899564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.899564 (E_RNA) where: Base-Base interactions energy: -1264.505 where: short stacking energy: -563.714 Base-Backbone interact. energy: -3.035 local terms energy: -646.360323 where: bonds (distance) C4'-P energy: -142.143 bonds (distance) P-C4' energy: -142.489 flat angles C4'-P-C4' energy: -153.983 flat angles P-C4'-P energy: -72.461 tors. eta vs tors. theta energy: -135.285 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: 10 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -1611.272556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.272556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.272556 (E_RNA) where: Base-Base interactions energy: -1007.474 where: short stacking energy: -451.088 Base-Backbone interact. energy: -1.371 local terms energy: -602.426896 where: bonds (distance) C4'-P energy: -149.672 bonds (distance) P-C4' energy: -130.618 flat angles C4'-P-C4' energy: -136.173 flat angles P-C4'-P energy: -93.624 tors. eta vs tors. theta energy: -92.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -1367.091380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.091380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.091380 (E_RNA) where: Base-Base interactions energy: -828.652 where: short stacking energy: -400.456 Base-Backbone interact. energy: 0.529 local terms energy: -538.968805 where: bonds (distance) C4'-P energy: -140.956 bonds (distance) P-C4' energy: -123.000 flat angles C4'-P-C4' energy: -144.820 flat angles P-C4'-P energy: -72.671 tors. eta vs tors. theta energy: -57.522 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: 7 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -859.642527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.642527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.642527 (E_RNA) where: Base-Base interactions energy: -421.977 where: short stacking energy: -240.537 Base-Backbone interact. energy: 0.318 local terms energy: -437.983270 where: bonds (distance) C4'-P energy: -111.734 bonds (distance) P-C4' energy: -148.185 flat angles C4'-P-C4' energy: -113.666 flat angles P-C4'-P energy: -66.430 tors. eta vs tors. theta energy: 2.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -718.392491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.392491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.392491 (E_RNA) where: Base-Base interactions energy: -288.048 where: short stacking energy: -165.363 Base-Backbone interact. energy: -2.956 local terms energy: -427.388633 where: bonds (distance) C4'-P energy: -135.524 bonds (distance) P-C4' energy: -145.052 flat angles C4'-P-C4' energy: -111.218 flat angles P-C4'-P energy: -66.735 tors. eta vs tors. theta energy: 31.140 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: 1, replica: 2 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -2771.725356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.725356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.725356 (E_RNA) where: Base-Base interactions energy: -1908.424 where: short stacking energy: -782.097 Base-Backbone interact. energy: -2.137 local terms energy: -861.164334 where: bonds (distance) C4'-P energy: -166.085 bonds (distance) P-C4' energy: -152.586 flat angles C4'-P-C4' energy: -184.804 flat angles P-C4'-P energy: -120.401 tors. eta vs tors. theta energy: -237.289 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: 2, replica: 4 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -2688.290435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.290435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.290435 (E_RNA) where: Base-Base interactions energy: -1853.218 where: short stacking energy: -723.038 Base-Backbone interact. energy: 1.808 local terms energy: -836.880508 where: bonds (distance) C4'-P energy: -150.823 bonds (distance) P-C4' energy: -144.525 flat angles C4'-P-C4' energy: -194.500 flat angles P-C4'-P energy: -132.979 tors. eta vs tors. theta energy: -214.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -2527.041716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.041716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.041716 (E_RNA) where: Base-Base interactions energy: -1736.161 where: short stacking energy: -707.067 Base-Backbone interact. energy: -8.502 local terms energy: -782.378796 where: bonds (distance) C4'-P energy: -142.963 bonds (distance) P-C4' energy: -155.838 flat angles C4'-P-C4' energy: -167.809 flat angles P-C4'-P energy: -111.605 tors. eta vs tors. theta energy: -204.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -2360.213006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.213006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.213006 (E_RNA) where: Base-Base interactions energy: -1580.466 where: short stacking energy: -701.802 Base-Backbone interact. energy: -0.509 local terms energy: -779.238111 where: bonds (distance) C4'-P energy: -151.064 bonds (distance) P-C4' energy: -153.731 flat angles C4'-P-C4' energy: -171.709 flat angles P-C4'-P energy: -113.696 tors. eta vs tors. theta energy: -189.038 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: 1 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -2146.519935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.519935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.519935 (E_RNA) where: Base-Base interactions energy: -1420.647 where: short stacking energy: -607.174 Base-Backbone interact. energy: -0.826 local terms energy: -725.046824 where: bonds (distance) C4'-P energy: -141.962 bonds (distance) P-C4' energy: -161.683 flat angles C4'-P-C4' energy: -156.835 flat angles P-C4'-P energy: -97.079 tors. eta vs tors. theta energy: -167.487 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: 478 Temperature: 1.150000 Total energy: -1914.756420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.756420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.756420 (E_RNA) where: Base-Base interactions energy: -1274.887 where: short stacking energy: -560.045 Base-Backbone interact. energy: -2.915 local terms energy: -636.954697 where: bonds (distance) C4'-P energy: -129.267 bonds (distance) P-C4' energy: -133.589 flat angles C4'-P-C4' energy: -150.481 flat angles P-C4'-P energy: -95.060 tors. eta vs tors. theta energy: -128.558 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: 7, replica: 10 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -1639.201110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.201110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.201110 (E_RNA) where: Base-Base interactions energy: -1029.923 where: short stacking energy: -480.682 Base-Backbone interact. energy: 0.792 local terms energy: -610.069662 where: bonds (distance) C4'-P energy: -121.995 bonds (distance) P-C4' energy: -147.316 flat angles C4'-P-C4' energy: -153.028 flat angles P-C4'-P energy: -89.897 tors. eta vs tors. theta energy: -97.834 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: 3 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -1347.615224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.615224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.615224 (E_RNA) where: Base-Base interactions energy: -804.383 where: short stacking energy: -389.559 Base-Backbone interact. energy: 6.546 local terms energy: -549.778138 where: bonds (distance) C4'-P energy: -110.048 bonds (distance) P-C4' energy: -148.316 flat angles C4'-P-C4' energy: -137.971 flat angles P-C4'-P energy: -81.443 tors. eta vs tors. theta energy: -72.000 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: 9, replica: 7 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -923.851649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.851649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.851649 (E_RNA) where: Base-Base interactions energy: -462.923 where: short stacking energy: -243.008 Base-Backbone interact. energy: 5.369 local terms energy: -466.296834 where: bonds (distance) C4'-P energy: -128.627 bonds (distance) P-C4' energy: -130.841 flat angles C4'-P-C4' energy: -137.891 flat angles P-C4'-P energy: -71.983 tors. eta vs tors. theta energy: 3.045 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: 10, replica: 9 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -696.347516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.347516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.347516 (E_RNA) where: Base-Base interactions energy: -262.418 where: short stacking energy: -161.983 Base-Backbone interact. energy: 2.225 local terms energy: -436.154354 where: bonds (distance) C4'-P energy: -159.959 bonds (distance) P-C4' energy: -137.086 flat angles C4'-P-C4' energy: -113.362 flat angles P-C4'-P energy: -48.232 tors. eta vs tors. theta energy: 22.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -2777.991108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.991108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.991108 (E_RNA) where: Base-Base interactions energy: -1929.106 where: short stacking energy: -789.103 Base-Backbone interact. energy: 2.465 local terms energy: -851.349966 where: bonds (distance) C4'-P energy: -167.169 bonds (distance) P-C4' energy: -158.969 flat angles C4'-P-C4' energy: -183.890 flat angles P-C4'-P energy: -111.466 tors. eta vs tors. theta energy: -229.856 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: 2, replica: 4 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -2634.251208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.251208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.251208 (E_RNA) where: Base-Base interactions energy: -1813.789 where: short stacking energy: -731.534 Base-Backbone interact. energy: -6.246 local terms energy: -814.215931 where: bonds (distance) C4'-P energy: -161.386 bonds (distance) P-C4' energy: -155.018 flat angles C4'-P-C4' energy: -172.564 flat angles P-C4'-P energy: -119.539 tors. eta vs tors. theta energy: -205.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -2537.491566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.491566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.491566 (E_RNA) where: Base-Base interactions energy: -1714.206 where: short stacking energy: -688.068 Base-Backbone interact. energy: -4.505 local terms energy: -818.780792 where: bonds (distance) C4'-P energy: -156.920 bonds (distance) P-C4' energy: -157.738 flat angles C4'-P-C4' energy: -177.492 flat angles P-C4'-P energy: -113.774 tors. eta vs tors. theta energy: -212.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -2356.546950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.546950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.546950 (E_RNA) where: Base-Base interactions energy: -1604.010 where: short stacking energy: -714.708 Base-Backbone interact. energy: 0.640 local terms energy: -753.176747 where: bonds (distance) C4'-P energy: -136.812 bonds (distance) P-C4' energy: -139.797 flat angles C4'-P-C4' energy: -168.013 flat angles P-C4'-P energy: -104.301 tors. eta vs tors. theta energy: -204.254 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: 5, replica: 1 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -2168.594363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.594363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.594363 (E_RNA) where: Base-Base interactions energy: -1430.831 where: short stacking energy: -640.600 Base-Backbone interact. energy: -1.231 local terms energy: -736.531994 where: bonds (distance) C4'-P energy: -146.774 bonds (distance) P-C4' energy: -146.111 flat angles C4'-P-C4' energy: -173.228 flat angles P-C4'-P energy: -84.885 tors. eta vs tors. theta energy: -185.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -1921.024452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.024452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.024452 (E_RNA) where: Base-Base interactions energy: -1247.853 where: short stacking energy: -564.256 Base-Backbone interact. energy: -2.588 local terms energy: -670.582853 where: bonds (distance) C4'-P energy: -153.826 bonds (distance) P-C4' energy: -141.740 flat angles C4'-P-C4' energy: -148.461 flat angles P-C4'-P energy: -107.543 tors. eta vs tors. theta energy: -119.013 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: 10 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -1622.604337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.604337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.604337 (E_RNA) where: Base-Base interactions energy: -1001.682 where: short stacking energy: -483.378 Base-Backbone interact. energy: 0.601 local terms energy: -621.523141 where: bonds (distance) C4'-P energy: -131.419 bonds (distance) P-C4' energy: -131.679 flat angles C4'-P-C4' energy: -153.685 flat angles P-C4'-P energy: -93.835 tors. eta vs tors. theta energy: -110.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -1349.968642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.968642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.968642 (E_RNA) where: Base-Base interactions energy: -809.749 where: short stacking energy: -387.561 Base-Backbone interact. energy: -3.944 local terms energy: -536.275317 where: bonds (distance) C4'-P energy: -126.915 bonds (distance) P-C4' energy: -137.233 flat angles C4'-P-C4' energy: -130.723 flat angles P-C4'-P energy: -86.135 tors. eta vs tors. theta energy: -55.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -906.145320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.145320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.145320 (E_RNA) where: Base-Base interactions energy: -461.614 where: short stacking energy: -259.317 Base-Backbone interact. energy: 1.230 local terms energy: -445.761324 where: bonds (distance) C4'-P energy: -113.839 bonds (distance) P-C4' energy: -147.847 flat angles C4'-P-C4' energy: -107.154 flat angles P-C4'-P energy: -78.466 tors. eta vs tors. theta energy: 1.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -685.586032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.586032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.586032 (E_RNA) where: Base-Base interactions energy: -281.414 where: short stacking energy: -191.147 Base-Backbone interact. energy: -0.307 local terms energy: -403.865123 where: bonds (distance) C4'-P energy: -134.644 bonds (distance) P-C4' energy: -151.613 flat angles C4'-P-C4' energy: -89.577 flat angles P-C4'-P energy: -40.753 tors. eta vs tors. theta energy: 12.723 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: 1, replica: 2 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -2779.155671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.155671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.155671 (E_RNA) where: Base-Base interactions energy: -1913.208 where: short stacking energy: -800.412 Base-Backbone interact. energy: -3.503 local terms energy: -862.444770 where: bonds (distance) C4'-P energy: -163.123 bonds (distance) P-C4' energy: -160.789 flat angles C4'-P-C4' energy: -190.383 flat angles P-C4'-P energy: -116.142 tors. eta vs tors. theta energy: -232.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -2648.868452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.868452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.868452 (E_RNA) where: Base-Base interactions energy: -1808.486 where: short stacking energy: -765.799 Base-Backbone interact. energy: -5.386 local terms energy: -834.996237 where: bonds (distance) C4'-P energy: -150.793 bonds (distance) P-C4' energy: -167.581 flat angles C4'-P-C4' energy: -189.073 flat angles P-C4'-P energy: -110.878 tors. eta vs tors. theta energy: -216.671 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: 8 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -2531.201123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.201123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.201123 (E_RNA) where: Base-Base interactions energy: -1728.388 where: short stacking energy: -688.745 Base-Backbone interact. energy: -3.859 local terms energy: -798.954406 where: bonds (distance) C4'-P energy: -148.196 bonds (distance) P-C4' energy: -157.232 flat angles C4'-P-C4' energy: -175.380 flat angles P-C4'-P energy: -107.106 tors. eta vs tors. theta energy: -211.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -2354.482420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.482420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.482420 (E_RNA) where: Base-Base interactions energy: -1588.326 where: short stacking energy: -707.765 Base-Backbone interact. energy: -0.987 local terms energy: -765.169302 where: bonds (distance) C4'-P energy: -142.580 bonds (distance) P-C4' energy: -142.212 flat angles C4'-P-C4' energy: -164.799 flat angles P-C4'-P energy: -109.013 tors. eta vs tors. theta energy: -206.566 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: 1 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -2158.028059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.028059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.028059 (E_RNA) where: Base-Base interactions energy: -1418.448 where: short stacking energy: -671.477 Base-Backbone interact. energy: 1.320 local terms energy: -740.900162 where: bonds (distance) C4'-P energy: -132.969 bonds (distance) P-C4' energy: -147.607 flat angles C4'-P-C4' energy: -164.474 flat angles P-C4'-P energy: -106.858 tors. eta vs tors. theta energy: -188.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -2025.580754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.580754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.580754 (E_RNA) where: Base-Base interactions energy: -1316.330 where: short stacking energy: -623.918 Base-Backbone interact. energy: -1.500 local terms energy: -707.750609 where: bonds (distance) C4'-P energy: -129.616 bonds (distance) P-C4' energy: -150.441 flat angles C4'-P-C4' energy: -155.672 flat angles P-C4'-P energy: -111.206 tors. eta vs tors. theta energy: -160.814 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: 10 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -1647.980954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.980954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.980954 (E_RNA) where: Base-Base interactions energy: -1064.216 where: short stacking energy: -473.827 Base-Backbone interact. energy: -5.009 local terms energy: -578.756284 where: bonds (distance) C4'-P energy: -125.313 bonds (distance) P-C4' energy: -147.115 flat angles C4'-P-C4' energy: -119.681 flat angles P-C4'-P energy: -85.244 tors. eta vs tors. theta energy: -101.403 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: 8, replica: 3 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -1312.214075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.214075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.214075 (E_RNA) where: Base-Base interactions energy: -776.102 where: short stacking energy: -377.227 Base-Backbone interact. energy: 4.435 local terms energy: -540.547246 where: bonds (distance) C4'-P energy: -130.459 bonds (distance) P-C4' energy: -152.553 flat angles C4'-P-C4' energy: -117.386 flat angles P-C4'-P energy: -98.014 tors. eta vs tors. theta energy: -42.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -910.469771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.469771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.469771 (E_RNA) where: Base-Base interactions energy: -464.812 where: short stacking energy: -271.505 Base-Backbone interact. energy: 3.648 local terms energy: -449.305671 where: bonds (distance) C4'-P energy: -131.726 bonds (distance) P-C4' energy: -122.190 flat angles C4'-P-C4' energy: -121.199 flat angles P-C4'-P energy: -66.515 tors. eta vs tors. theta energy: -7.676 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: 9 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -691.734710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.734710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.734710 (E_RNA) where: Base-Base interactions energy: -279.057 where: short stacking energy: -209.077 Base-Backbone interact. energy: -1.138 local terms energy: -411.540046 where: bonds (distance) C4'-P energy: -108.927 bonds (distance) P-C4' energy: -152.596 flat angles C4'-P-C4' energy: -107.249 flat angles P-C4'-P energy: -60.710 tors. eta vs tors. theta energy: 17.941 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: 2 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -2803.378366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.378366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.378366 (E_RNA) where: Base-Base interactions energy: -1939.322 where: short stacking energy: -835.967 Base-Backbone interact. energy: 6.865 local terms energy: -870.922072 where: bonds (distance) C4'-P energy: -157.482 bonds (distance) P-C4' energy: -165.978 flat angles C4'-P-C4' energy: -191.738 flat angles P-C4'-P energy: -114.343 tors. eta vs tors. theta energy: -241.381 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: 4 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -2689.060570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.060570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.060570 (E_RNA) where: Base-Base interactions energy: -1850.182 where: short stacking energy: -766.919 Base-Backbone interact. energy: -5.596 local terms energy: -833.282606 where: bonds (distance) C4'-P energy: -142.991 bonds (distance) P-C4' energy: -165.429 flat angles C4'-P-C4' energy: -177.213 flat angles P-C4'-P energy: -132.211 tors. eta vs tors. theta energy: -215.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -2563.127940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.127940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.127940 (E_RNA) where: Base-Base interactions energy: -1790.200 where: short stacking energy: -721.533 Base-Backbone interact. energy: -3.974 local terms energy: -768.953521 where: bonds (distance) C4'-P energy: -134.359 bonds (distance) P-C4' energy: -157.123 flat angles C4'-P-C4' energy: -166.822 flat angles P-C4'-P energy: -104.733 tors. eta vs tors. theta energy: -205.916 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: 6 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -2358.407910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.407910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.407910 (E_RNA) where: Base-Base interactions energy: -1580.962 where: short stacking energy: -679.190 Base-Backbone interact. energy: -3.045 local terms energy: -774.401080 where: bonds (distance) C4'-P energy: -149.291 bonds (distance) P-C4' energy: -160.754 flat angles C4'-P-C4' energy: -154.470 flat angles P-C4'-P energy: -117.059 tors. eta vs tors. theta energy: -192.827 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: 1 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -2124.985583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.985583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.985583 (E_RNA) where: Base-Base interactions energy: -1395.410 where: short stacking energy: -641.673 Base-Backbone interact. energy: -1.463 local terms energy: -728.112591 where: bonds (distance) C4'-P energy: -135.936 bonds (distance) P-C4' energy: -151.904 flat angles C4'-P-C4' energy: -163.965 flat angles P-C4'-P energy: -95.630 tors. eta vs tors. theta energy: -180.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -2019.940082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.940082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.940082 (E_RNA) where: Base-Base interactions energy: -1328.693 where: short stacking energy: -602.607 Base-Backbone interact. energy: 2.054 local terms energy: -693.301776 where: bonds (distance) C4'-P energy: -115.688 bonds (distance) P-C4' energy: -135.445 flat angles C4'-P-C4' energy: -155.076 flat angles P-C4'-P energy: -106.761 tors. eta vs tors. theta energy: -180.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -1629.606258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.606258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.606258 (E_RNA) where: Base-Base interactions energy: -1019.767 where: short stacking energy: -476.484 Base-Backbone interact. energy: -3.059 local terms energy: -606.780145 where: bonds (distance) C4'-P energy: -143.330 bonds (distance) P-C4' energy: -137.242 flat angles C4'-P-C4' energy: -140.950 flat angles P-C4'-P energy: -79.110 tors. eta vs tors. theta energy: -106.148 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: 3 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -1209.334886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.334886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.334886 (E_RNA) where: Base-Base interactions energy: -697.079 where: short stacking energy: -326.518 Base-Backbone interact. energy: -0.112 local terms energy: -512.143878 where: bonds (distance) C4'-P energy: -110.679 bonds (distance) P-C4' energy: -147.176 flat angles C4'-P-C4' energy: -113.504 flat angles P-C4'-P energy: -90.831 tors. eta vs tors. theta energy: -49.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -818.006605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.006605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.006605 (E_RNA) where: Base-Base interactions energy: -382.940 where: short stacking energy: -218.535 Base-Backbone interact. energy: -4.443 local terms energy: -430.623130 where: bonds (distance) C4'-P energy: -120.179 bonds (distance) P-C4' energy: -142.136 flat angles C4'-P-C4' energy: -129.807 flat angles P-C4'-P energy: -53.399 tors. eta vs tors. theta energy: 14.899 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: 9 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -658.946104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.946104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.946104 (E_RNA) where: Base-Base interactions energy: -287.342 where: short stacking energy: -209.214 Base-Backbone interact. energy: 2.532 local terms energy: -374.135935 where: bonds (distance) C4'-P energy: -120.160 bonds (distance) P-C4' energy: -108.500 flat angles C4'-P-C4' energy: -113.470 flat angles P-C4'-P energy: -45.143 tors. eta vs tors. theta energy: 13.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -2810.041241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.041241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.041241 (E_RNA) where: Base-Base interactions energy: -1954.590 where: short stacking energy: -863.824 Base-Backbone interact. energy: 1.396 local terms energy: -856.847012 where: bonds (distance) C4'-P energy: -153.418 bonds (distance) P-C4' energy: -153.056 flat angles C4'-P-C4' energy: -185.014 flat angles P-C4'-P energy: -122.414 tors. eta vs tors. theta energy: -242.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -2667.744263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.744263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.744263 (E_RNA) where: Base-Base interactions energy: -1832.539 where: short stacking energy: -727.421 Base-Backbone interact. energy: -5.140 local terms energy: -830.065197 where: bonds (distance) C4'-P energy: -149.072 bonds (distance) P-C4' energy: -156.724 flat angles C4'-P-C4' energy: -176.314 flat angles P-C4'-P energy: -124.351 tors. eta vs tors. theta energy: -223.604 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: 8 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -2511.011960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.011960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.011960 (E_RNA) where: Base-Base interactions energy: -1714.761 where: short stacking energy: -689.695 Base-Backbone interact. energy: -7.910 local terms energy: -788.340502 where: bonds (distance) C4'-P energy: -154.978 bonds (distance) P-C4' energy: -158.632 flat angles C4'-P-C4' energy: -179.388 flat angles P-C4'-P energy: -99.233 tors. eta vs tors. theta energy: -196.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -2336.903912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.903912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.903912 (E_RNA) where: Base-Base interactions energy: -1571.375 where: short stacking energy: -712.558 Base-Backbone interact. energy: -3.738 local terms energy: -761.791276 where: bonds (distance) C4'-P energy: -159.229 bonds (distance) P-C4' energy: -134.103 flat angles C4'-P-C4' energy: -183.234 flat angles P-C4'-P energy: -86.771 tors. eta vs tors. theta energy: -198.453 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: 1 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -2158.926173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.926173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.926173 (E_RNA) where: Base-Base interactions energy: -1419.174 where: short stacking energy: -628.585 Base-Backbone interact. energy: 0.226 local terms energy: -739.977939 where: bonds (distance) C4'-P energy: -145.309 bonds (distance) P-C4' energy: -142.257 flat angles C4'-P-C4' energy: -172.318 flat angles P-C4'-P energy: -98.041 tors. eta vs tors. theta energy: -182.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -1936.662718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.662718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.662718 (E_RNA) where: Base-Base interactions energy: -1298.741 where: short stacking energy: -584.697 Base-Backbone interact. energy: 1.098 local terms energy: -639.020423 where: bonds (distance) C4'-P energy: -124.945 bonds (distance) P-C4' energy: -145.370 flat angles C4'-P-C4' energy: -151.683 flat angles P-C4'-P energy: -82.642 tors. eta vs tors. theta energy: -134.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -1597.061048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.061048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.061048 (E_RNA) where: Base-Base interactions energy: -1006.389 where: short stacking energy: -464.497 Base-Backbone interact. energy: -2.871 local terms energy: -587.801444 where: bonds (distance) C4'-P energy: -140.782 bonds (distance) P-C4' energy: -130.053 flat angles C4'-P-C4' energy: -132.825 flat angles P-C4'-P energy: -100.943 tors. eta vs tors. theta energy: -83.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -1230.158252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.158252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.158252 (E_RNA) where: Base-Base interactions energy: -718.828 where: short stacking energy: -344.964 Base-Backbone interact. energy: 0.329 local terms energy: -511.659013 where: bonds (distance) C4'-P energy: -141.089 bonds (distance) P-C4' energy: -136.322 flat angles C4'-P-C4' energy: -108.431 flat angles P-C4'-P energy: -90.078 tors. eta vs tors. theta energy: -35.739 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: 7 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -869.503521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.503521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.503521 (E_RNA) where: Base-Base interactions energy: -421.524 where: short stacking energy: -240.155 Base-Backbone interact. energy: 3.195 local terms energy: -451.174227 where: bonds (distance) C4'-P energy: -134.754 bonds (distance) P-C4' energy: -130.924 flat angles C4'-P-C4' energy: -120.422 flat angles P-C4'-P energy: -65.361 tors. eta vs tors. theta energy: 0.287 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: 10, replica: 9 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -659.040823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.040823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.040823 (E_RNA) where: Base-Base interactions energy: -257.003 where: short stacking energy: -168.546 Base-Backbone interact. energy: 2.619 local terms energy: -404.656920 where: bonds (distance) C4'-P energy: -125.483 bonds (distance) P-C4' energy: -133.285 flat angles C4'-P-C4' energy: -124.645 flat angles P-C4'-P energy: -57.981 tors. eta vs tors. theta energy: 36.738 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: 2 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -2766.181953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.181953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.181953 (E_RNA) where: Base-Base interactions energy: -1913.129 where: short stacking energy: -816.973 Base-Backbone interact. energy: 0.308 local terms energy: -853.360245 where: bonds (distance) C4'-P energy: -158.121 bonds (distance) P-C4' energy: -155.439 flat angles C4'-P-C4' energy: -177.348 flat angles P-C4'-P energy: -126.377 tors. eta vs tors. theta energy: -236.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -2718.026907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.026907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.026907 (E_RNA) where: Base-Base interactions energy: -1874.915 where: short stacking energy: -763.085 Base-Backbone interact. energy: -6.649 local terms energy: -836.462957 where: bonds (distance) C4'-P energy: -154.457 bonds (distance) P-C4' energy: -154.755 flat angles C4'-P-C4' energy: -186.296 flat angles P-C4'-P energy: -119.103 tors. eta vs tors. theta energy: -221.852 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: 3, replica: 8 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -2574.533944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.533944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.533944 (E_RNA) where: Base-Base interactions energy: -1803.101 where: short stacking energy: -723.486 Base-Backbone interact. energy: -7.770 local terms energy: -763.663203 where: bonds (distance) C4'-P energy: -147.540 bonds (distance) P-C4' energy: -130.463 flat angles C4'-P-C4' energy: -167.977 flat angles P-C4'-P energy: -105.372 tors. eta vs tors. theta energy: -212.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -2310.085368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.085368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.085368 (E_RNA) where: Base-Base interactions energy: -1539.788 where: short stacking energy: -675.366 Base-Backbone interact. energy: -1.786 local terms energy: -768.511807 where: bonds (distance) C4'-P energy: -142.068 bonds (distance) P-C4' energy: -154.433 flat angles C4'-P-C4' energy: -170.948 flat angles P-C4'-P energy: -101.578 tors. eta vs tors. theta energy: -199.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -2072.900212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.900212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.900212 (E_RNA) where: Base-Base interactions energy: -1346.449 where: short stacking energy: -612.929 Base-Backbone interact. energy: -1.501 local terms energy: -724.949981 where: bonds (distance) C4'-P energy: -152.654 bonds (distance) P-C4' energy: -133.448 flat angles C4'-P-C4' energy: -152.494 flat angles P-C4'-P energy: -111.067 tors. eta vs tors. theta energy: -175.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -1957.508774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.508774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.508774 (E_RNA) where: Base-Base interactions energy: -1264.683 where: short stacking energy: -552.939 Base-Backbone interact. energy: 0.999 local terms energy: -693.824898 where: bonds (distance) C4'-P energy: -128.467 bonds (distance) P-C4' energy: -160.101 flat angles C4'-P-C4' energy: -153.605 flat angles P-C4'-P energy: -108.570 tors. eta vs tors. theta energy: -143.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -1657.534608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.534608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.534608 (E_RNA) where: Base-Base interactions energy: -1044.547 where: short stacking energy: -500.747 Base-Backbone interact. energy: -2.347 local terms energy: -610.641299 where: bonds (distance) C4'-P energy: -119.004 bonds (distance) P-C4' energy: -154.257 flat angles C4'-P-C4' energy: -138.071 flat angles P-C4'-P energy: -92.164 tors. eta vs tors. theta energy: -107.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -1273.806974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.806974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.806974 (E_RNA) where: Base-Base interactions energy: -762.499 where: short stacking energy: -359.594 Base-Backbone interact. energy: 0.833 local terms energy: -512.141511 where: bonds (distance) C4'-P energy: -130.428 bonds (distance) P-C4' energy: -129.681 flat angles C4'-P-C4' energy: -124.226 flat angles P-C4'-P energy: -78.960 tors. eta vs tors. theta energy: -48.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -857.865088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.865088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.865088 (E_RNA) where: Base-Base interactions energy: -438.095 where: short stacking energy: -261.881 Base-Backbone interact. energy: -2.189 local terms energy: -417.581354 where: bonds (distance) C4'-P energy: -128.073 bonds (distance) P-C4' energy: -141.965 flat angles C4'-P-C4' energy: -98.070 flat angles P-C4'-P energy: -71.255 tors. eta vs tors. theta energy: 21.782 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: 10, replica: 9 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -648.307586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.307586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.307586 (E_RNA) where: Base-Base interactions energy: -274.464 where: short stacking energy: -183.418 Base-Backbone interact. energy: -0.555 local terms energy: -373.289145 where: bonds (distance) C4'-P energy: -141.011 bonds (distance) P-C4' energy: -109.728 flat angles C4'-P-C4' energy: -105.264 flat angles P-C4'-P energy: -48.093 tors. eta vs tors. theta energy: 30.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -2763.313339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.313339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.313339 (E_RNA) where: Base-Base interactions energy: -1902.261 where: short stacking energy: -812.113 Base-Backbone interact. energy: -2.996 local terms energy: -858.056204 where: bonds (distance) C4'-P energy: -149.659 bonds (distance) P-C4' energy: -164.501 flat angles C4'-P-C4' energy: -177.823 flat angles P-C4'-P energy: -132.683 tors. eta vs tors. theta energy: -233.390 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: 2, replica: 4 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -2641.015919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.015919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.015919 (E_RNA) where: Base-Base interactions energy: -1832.314 where: short stacking energy: -768.079 Base-Backbone interact. energy: -2.507 local terms energy: -806.194268 where: bonds (distance) C4'-P energy: -141.780 bonds (distance) P-C4' energy: -170.148 flat angles C4'-P-C4' energy: -167.098 flat angles P-C4'-P energy: -109.712 tors. eta vs tors. theta energy: -217.456 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: 3, replica: 8 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -2561.436733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.436733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.436733 (E_RNA) where: Base-Base interactions energy: -1784.660 where: short stacking energy: -713.044 Base-Backbone interact. energy: -9.355 local terms energy: -767.421724 where: bonds (distance) C4'-P energy: -149.108 bonds (distance) P-C4' energy: -159.327 flat angles C4'-P-C4' energy: -170.018 flat angles P-C4'-P energy: -84.105 tors. eta vs tors. theta energy: -204.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -2326.317075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.317075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.317075 (E_RNA) where: Base-Base interactions energy: -1562.194 where: short stacking energy: -668.709 Base-Backbone interact. energy: -0.751 local terms energy: -763.371545 where: bonds (distance) C4'-P energy: -144.868 bonds (distance) P-C4' energy: -155.958 flat angles C4'-P-C4' energy: -165.760 flat angles P-C4'-P energy: -115.310 tors. eta vs tors. theta energy: -181.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -2085.099219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.099219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.099219 (E_RNA) where: Base-Base interactions energy: -1398.979 where: short stacking energy: -608.109 Base-Backbone interact. energy: -1.608 local terms energy: -684.512302 where: bonds (distance) C4'-P energy: -129.881 bonds (distance) P-C4' energy: -148.031 flat angles C4'-P-C4' energy: -146.265 flat angles P-C4'-P energy: -89.442 tors. eta vs tors. theta energy: -170.893 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: 484 Temperature: 1.150000 Total energy: -1938.148531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.148531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.148531 (E_RNA) where: Base-Base interactions energy: -1297.132 where: short stacking energy: -556.483 Base-Backbone interact. energy: 5.172 local terms energy: -646.188530 where: bonds (distance) C4'-P energy: -124.987 bonds (distance) P-C4' energy: -143.037 flat angles C4'-P-C4' energy: -145.383 flat angles P-C4'-P energy: -96.542 tors. eta vs tors. theta energy: -136.240 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: 10 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -1744.046076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.046076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.046076 (E_RNA) where: Base-Base interactions energy: -1114.080 where: short stacking energy: -521.945 Base-Backbone interact. energy: 1.660 local terms energy: -631.625701 where: bonds (distance) C4'-P energy: -136.141 bonds (distance) P-C4' energy: -143.689 flat angles C4'-P-C4' energy: -141.842 flat angles P-C4'-P energy: -91.236 tors. eta vs tors. theta energy: -118.717 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: 8, replica: 3 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -1278.630730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.630730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.630730 (E_RNA) where: Base-Base interactions energy: -710.578 where: short stacking energy: -327.219 Base-Backbone interact. energy: -4.204 local terms energy: -563.848576 where: bonds (distance) C4'-P energy: -148.512 bonds (distance) P-C4' energy: -156.913 flat angles C4'-P-C4' energy: -127.193 flat angles P-C4'-P energy: -85.818 tors. eta vs tors. theta energy: -45.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -868.970163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.970163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.970163 (E_RNA) where: Base-Base interactions energy: -434.965 where: short stacking energy: -240.763 Base-Backbone interact. energy: 0.374 local terms energy: -434.379762 where: bonds (distance) C4'-P energy: -103.181 bonds (distance) P-C4' energy: -129.573 flat angles C4'-P-C4' energy: -142.616 flat angles P-C4'-P energy: -62.675 tors. eta vs tors. theta energy: 3.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -671.742470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.742470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.742470 (E_RNA) where: Base-Base interactions energy: -273.988 where: short stacking energy: -177.853 Base-Backbone interact. energy: 9.995 local terms energy: -407.749486 where: bonds (distance) C4'-P energy: -119.174 bonds (distance) P-C4' energy: -124.634 flat angles C4'-P-C4' energy: -114.842 flat angles P-C4'-P energy: -68.303 tors. eta vs tors. theta energy: 19.203 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: 1, replica: 2 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -2799.159612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.159612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.159612 (E_RNA) where: Base-Base interactions energy: -1919.033 where: short stacking energy: -841.824 Base-Backbone interact. energy: -4.798 local terms energy: -875.328914 where: bonds (distance) C4'-P energy: -161.593 bonds (distance) P-C4' energy: -160.065 flat angles C4'-P-C4' energy: -185.121 flat angles P-C4'-P energy: -123.988 tors. eta vs tors. theta energy: -244.562 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: 4 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -2651.536920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.536920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.536920 (E_RNA) where: Base-Base interactions energy: -1847.268 where: short stacking energy: -762.367 Base-Backbone interact. energy: -7.854 local terms energy: -796.415534 where: bonds (distance) C4'-P energy: -146.795 bonds (distance) P-C4' energy: -142.321 flat angles C4'-P-C4' energy: -180.849 flat angles P-C4'-P energy: -107.606 tors. eta vs tors. theta energy: -218.844 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: 3, replica: 8 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -2527.048081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.048081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.048081 (E_RNA) where: Base-Base interactions energy: -1760.952 where: short stacking energy: -696.659 Base-Backbone interact. energy: -2.330 local terms energy: -763.766301 where: bonds (distance) C4'-P energy: -118.701 bonds (distance) P-C4' energy: -161.931 flat angles C4'-P-C4' energy: -173.428 flat angles P-C4'-P energy: -115.292 tors. eta vs tors. theta energy: -194.414 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: 4, replica: 6 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -2352.811527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.811527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.811527 (E_RNA) where: Base-Base interactions energy: -1610.241 where: short stacking energy: -670.783 Base-Backbone interact. energy: -2.307 local terms energy: -740.263733 where: bonds (distance) C4'-P energy: -152.054 bonds (distance) P-C4' energy: -123.622 flat angles C4'-P-C4' energy: -171.442 flat angles P-C4'-P energy: -101.042 tors. eta vs tors. theta energy: -192.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -2129.475809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.475809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.475809 (E_RNA) where: Base-Base interactions energy: -1410.388 where: short stacking energy: -600.947 Base-Backbone interact. energy: -5.049 local terms energy: -714.039020 where: bonds (distance) C4'-P energy: -130.485 bonds (distance) P-C4' energy: -151.700 flat angles C4'-P-C4' energy: -173.781 flat angles P-C4'-P energy: -96.129 tors. eta vs tors. theta energy: -161.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -1912.838096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.838096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.838096 (E_RNA) where: Base-Base interactions energy: -1269.387 where: short stacking energy: -542.075 Base-Backbone interact. energy: 2.455 local terms energy: -645.906126 where: bonds (distance) C4'-P energy: -137.238 bonds (distance) P-C4' energy: -120.591 flat angles C4'-P-C4' energy: -153.126 flat angles P-C4'-P energy: -110.584 tors. eta vs tors. theta energy: -124.367 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: 7, replica: 10 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -1711.009326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.009326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.009326 (E_RNA) where: Base-Base interactions energy: -1116.015 where: short stacking energy: -479.857 Base-Backbone interact. energy: 3.590 local terms energy: -598.584484 where: bonds (distance) C4'-P energy: -141.293 bonds (distance) P-C4' energy: -133.983 flat angles C4'-P-C4' energy: -141.418 flat angles P-C4'-P energy: -72.309 tors. eta vs tors. theta energy: -109.582 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: 3 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -1184.969991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.969991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.969991 (E_RNA) where: Base-Base interactions energy: -676.270 where: short stacking energy: -351.562 Base-Backbone interact. energy: 3.998 local terms energy: -512.698075 where: bonds (distance) C4'-P energy: -124.102 bonds (distance) P-C4' energy: -161.174 flat angles C4'-P-C4' energy: -113.105 flat angles P-C4'-P energy: -74.211 tors. eta vs tors. theta energy: -40.105 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: 9, replica: 7 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -837.647295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.647295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.647295 (E_RNA) where: Base-Base interactions energy: -402.135 where: short stacking energy: -225.705 Base-Backbone interact. energy: -5.257 local terms energy: -430.255271 where: bonds (distance) C4'-P energy: -134.557 bonds (distance) P-C4' energy: -123.508 flat angles C4'-P-C4' energy: -107.141 flat angles P-C4'-P energy: -72.292 tors. eta vs tors. theta energy: 7.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -724.105243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.105243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.105243 (E_RNA) where: Base-Base interactions energy: -317.701 where: short stacking energy: -209.815 Base-Backbone interact. energy: -2.739 local terms energy: -403.665418 where: bonds (distance) C4'-P energy: -116.472 bonds (distance) P-C4' energy: -149.479 flat angles C4'-P-C4' energy: -108.686 flat angles P-C4'-P energy: -37.414 tors. eta vs tors. theta energy: 8.387 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: 2 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -2795.621932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.621932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.621932 (E_RNA) where: Base-Base interactions energy: -1913.247 where: short stacking energy: -812.401 Base-Backbone interact. energy: 0.187 local terms energy: -882.562002 where: bonds (distance) C4'-P energy: -165.124 bonds (distance) P-C4' energy: -162.990 flat angles C4'-P-C4' energy: -189.101 flat angles P-C4'-P energy: -125.825 tors. eta vs tors. theta energy: -239.522 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: 4 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -2659.039932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.039932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.039932 (E_RNA) where: Base-Base interactions energy: -1807.359 where: short stacking energy: -750.712 Base-Backbone interact. energy: -6.900 local terms energy: -844.781139 where: bonds (distance) C4'-P energy: -164.965 bonds (distance) P-C4' energy: -156.098 flat angles C4'-P-C4' energy: -183.354 flat angles P-C4'-P energy: -117.205 tors. eta vs tors. theta energy: -223.159 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: 3, replica: 8 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -2495.273474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.273474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.273474 (E_RNA) where: Base-Base interactions energy: -1733.890 where: short stacking energy: -680.613 Base-Backbone interact. energy: -2.983 local terms energy: -758.400395 where: bonds (distance) C4'-P energy: -145.026 bonds (distance) P-C4' energy: -144.330 flat angles C4'-P-C4' energy: -175.598 flat angles P-C4'-P energy: -109.160 tors. eta vs tors. theta energy: -184.287 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: 6 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -2366.049310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.049310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.049310 (E_RNA) where: Base-Base interactions energy: -1581.564 where: short stacking energy: -680.344 Base-Backbone interact. energy: 0.306 local terms energy: -784.791570 where: bonds (distance) C4'-P energy: -151.701 bonds (distance) P-C4' energy: -151.480 flat angles C4'-P-C4' energy: -174.831 flat angles P-C4'-P energy: -103.904 tors. eta vs tors. theta energy: -202.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -2158.645820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.645820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.645820 (E_RNA) where: Base-Base interactions energy: -1439.626 where: short stacking energy: -618.390 Base-Backbone interact. energy: 1.595 local terms energy: -720.615431 where: bonds (distance) C4'-P energy: -147.511 bonds (distance) P-C4' energy: -141.406 flat angles C4'-P-C4' energy: -168.795 flat angles P-C4'-P energy: -98.799 tors. eta vs tors. theta energy: -164.105 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: 5 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -1925.200521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.200521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.200521 (E_RNA) where: Base-Base interactions energy: -1282.386 where: short stacking energy: -560.788 Base-Backbone interact. energy: 7.333 local terms energy: -650.147275 where: bonds (distance) C4'-P energy: -154.072 bonds (distance) P-C4' energy: -140.475 flat angles C4'-P-C4' energy: -134.996 flat angles P-C4'-P energy: -92.637 tors. eta vs tors. theta energy: -127.968 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: 7, replica: 10 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -1788.741568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.741568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.741568 (E_RNA) where: Base-Base interactions energy: -1162.097 where: short stacking energy: -549.374 Base-Backbone interact. energy: -0.700 local terms energy: -625.944199 where: bonds (distance) C4'-P energy: -113.818 bonds (distance) P-C4' energy: -144.327 flat angles C4'-P-C4' energy: -142.619 flat angles P-C4'-P energy: -85.553 tors. eta vs tors. theta energy: -139.627 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: 3 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -1243.198124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.198124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.198124 (E_RNA) where: Base-Base interactions energy: -728.257 where: short stacking energy: -392.681 Base-Backbone interact. energy: -0.575 local terms energy: -514.365890 where: bonds (distance) C4'-P energy: -133.680 bonds (distance) P-C4' energy: -130.380 flat angles C4'-P-C4' energy: -135.042 flat angles P-C4'-P energy: -67.214 tors. eta vs tors. theta energy: -48.049 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: 7 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -864.433810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.433810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.433810 (E_RNA) where: Base-Base interactions energy: -386.544 where: short stacking energy: -227.658 Base-Backbone interact. energy: 0.708 local terms energy: -478.597325 where: bonds (distance) C4'-P energy: -141.625 bonds (distance) P-C4' energy: -138.192 flat angles C4'-P-C4' energy: -130.144 flat angles P-C4'-P energy: -65.967 tors. eta vs tors. theta energy: -2.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -607.812188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.812188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.812188 (E_RNA) where: Base-Base interactions energy: -204.896 where: short stacking energy: -159.426 Base-Backbone interact. energy: -1.383 local terms energy: -401.532702 where: bonds (distance) C4'-P energy: -129.298 bonds (distance) P-C4' energy: -125.279 flat angles C4'-P-C4' energy: -101.638 flat angles P-C4'-P energy: -88.209 tors. eta vs tors. theta energy: 42.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -2801.063018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.063018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.063018 (E_RNA) where: Base-Base interactions energy: -1931.260 where: short stacking energy: -812.359 Base-Backbone interact. energy: -3.402 local terms energy: -866.401098 where: bonds (distance) C4'-P energy: -168.051 bonds (distance) P-C4' energy: -153.212 flat angles C4'-P-C4' energy: -186.697 flat angles P-C4'-P energy: -127.877 tors. eta vs tors. theta energy: -230.564 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: 4 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -2673.772727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.772727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.772727 (E_RNA) where: Base-Base interactions energy: -1839.629 where: short stacking energy: -788.493 Base-Backbone interact. energy: 2.861 local terms energy: -837.004361 where: bonds (distance) C4'-P energy: -156.436 bonds (distance) P-C4' energy: -156.669 flat angles C4'-P-C4' energy: -175.973 flat angles P-C4'-P energy: -125.006 tors. eta vs tors. theta energy: -222.920 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: 3, replica: 8 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -2515.468480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.468480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.468480 (E_RNA) where: Base-Base interactions energy: -1745.657 where: short stacking energy: -705.171 Base-Backbone interact. energy: -2.785 local terms energy: -767.026583 where: bonds (distance) C4'-P energy: -140.211 bonds (distance) P-C4' energy: -166.504 flat angles C4'-P-C4' energy: -166.981 flat angles P-C4'-P energy: -103.561 tors. eta vs tors. theta energy: -189.769 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: 4, replica: 6 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -2387.422069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.422069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.422069 (E_RNA) where: Base-Base interactions energy: -1607.028 where: short stacking energy: -694.601 Base-Backbone interact. energy: -2.984 local terms energy: -777.409812 where: bonds (distance) C4'-P energy: -172.018 bonds (distance) P-C4' energy: -150.241 flat angles C4'-P-C4' energy: -166.655 flat angles P-C4'-P energy: -93.237 tors. eta vs tors. theta energy: -195.258 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: 1 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -2132.995221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.995221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.995221 (E_RNA) where: Base-Base interactions energy: -1415.263 where: short stacking energy: -609.758 Base-Backbone interact. energy: -3.615 local terms energy: -714.117097 where: bonds (distance) C4'-P energy: -155.086 bonds (distance) P-C4' energy: -146.340 flat angles C4'-P-C4' energy: -151.572 flat angles P-C4'-P energy: -106.851 tors. eta vs tors. theta energy: -154.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -1891.433601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.433601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.433601 (E_RNA) where: Base-Base interactions energy: -1220.910 where: short stacking energy: -507.615 Base-Backbone interact. energy: -0.688 local terms energy: -669.835684 where: bonds (distance) C4'-P energy: -139.658 bonds (distance) P-C4' energy: -140.451 flat angles C4'-P-C4' energy: -146.571 flat angles P-C4'-P energy: -107.576 tors. eta vs tors. theta energy: -135.580 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: 10 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -1778.600840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.600840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.600840 (E_RNA) where: Base-Base interactions energy: -1121.972 where: short stacking energy: -514.107 Base-Backbone interact. energy: 2.490 local terms energy: -659.119512 where: bonds (distance) C4'-P energy: -134.700 bonds (distance) P-C4' energy: -149.766 flat angles C4'-P-C4' energy: -150.223 flat angles P-C4'-P energy: -100.472 tors. eta vs tors. theta energy: -123.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -1228.599836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.599836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.599836 (E_RNA) where: Base-Base interactions energy: -687.280 where: short stacking energy: -346.526 Base-Backbone interact. energy: -1.165 local terms energy: -540.154952 where: bonds (distance) C4'-P energy: -144.058 bonds (distance) P-C4' energy: -148.075 flat angles C4'-P-C4' energy: -100.846 flat angles P-C4'-P energy: -93.336 tors. eta vs tors. theta energy: -53.840 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: 7 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -885.739804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.739804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.739804 (E_RNA) where: Base-Base interactions energy: -447.840 where: short stacking energy: -278.007 Base-Backbone interact. energy: 6.596 local terms energy: -444.496225 where: bonds (distance) C4'-P energy: -139.230 bonds (distance) P-C4' energy: -124.548 flat angles C4'-P-C4' energy: -124.298 flat angles P-C4'-P energy: -59.635 tors. eta vs tors. theta energy: 3.214 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: 9 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -633.919076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.919076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.919076 (E_RNA) where: Base-Base interactions energy: -220.265 where: short stacking energy: -137.313 Base-Backbone interact. energy: 1.768 local terms energy: -415.421572 where: bonds (distance) C4'-P energy: -141.120 bonds (distance) P-C4' energy: -143.487 flat angles C4'-P-C4' energy: -103.103 flat angles P-C4'-P energy: -65.684 tors. eta vs tors. theta energy: 37.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -2803.022761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.022761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.022761 (E_RNA) where: Base-Base interactions energy: -1915.461 where: short stacking energy: -808.071 Base-Backbone interact. energy: -4.014 local terms energy: -883.548174 where: bonds (distance) C4'-P energy: -170.584 bonds (distance) P-C4' energy: -179.498 flat angles C4'-P-C4' energy: -176.369 flat angles P-C4'-P energy: -118.863 tors. eta vs tors. theta energy: -238.233 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: 4 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -2672.691600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.691600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.691600 (E_RNA) where: Base-Base interactions energy: -1809.224 where: short stacking energy: -803.632 Base-Backbone interact. energy: -0.866 local terms energy: -862.601804 where: bonds (distance) C4'-P energy: -172.459 bonds (distance) P-C4' energy: -156.160 flat angles C4'-P-C4' energy: -184.222 flat angles P-C4'-P energy: -110.399 tors. eta vs tors. theta energy: -239.361 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: 8 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -2506.364387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.364387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.364387 (E_RNA) where: Base-Base interactions energy: -1705.854 where: short stacking energy: -695.736 Base-Backbone interact. energy: 3.516 local terms energy: -804.025433 where: bonds (distance) C4'-P energy: -164.154 bonds (distance) P-C4' energy: -140.645 flat angles C4'-P-C4' energy: -178.093 flat angles P-C4'-P energy: -104.540 tors. eta vs tors. theta energy: -216.593 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: 6 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -2333.983812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.983812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.983812 (E_RNA) where: Base-Base interactions energy: -1580.121 where: short stacking energy: -697.862 Base-Backbone interact. energy: 5.551 local terms energy: -759.414284 where: bonds (distance) C4'-P energy: -152.195 bonds (distance) P-C4' energy: -144.480 flat angles C4'-P-C4' energy: -156.549 flat angles P-C4'-P energy: -110.015 tors. eta vs tors. theta energy: -196.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -2143.257303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.257303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.257303 (E_RNA) where: Base-Base interactions energy: -1416.504 where: short stacking energy: -613.519 Base-Backbone interact. energy: -0.314 local terms energy: -726.439642 where: bonds (distance) C4'-P energy: -149.082 bonds (distance) P-C4' energy: -145.333 flat angles C4'-P-C4' energy: -159.122 flat angles P-C4'-P energy: -109.364 tors. eta vs tors. theta energy: -163.539 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: 5 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -1931.593568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.593568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.593568 (E_RNA) where: Base-Base interactions energy: -1261.723 where: short stacking energy: -561.676 Base-Backbone interact. energy: -3.261 local terms energy: -666.609681 where: bonds (distance) C4'-P energy: -141.167 bonds (distance) P-C4' energy: -137.589 flat angles C4'-P-C4' energy: -148.143 flat angles P-C4'-P energy: -93.316 tors. eta vs tors. theta energy: -146.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -1779.091175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.091175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.091175 (E_RNA) where: Base-Base interactions energy: -1172.410 where: short stacking energy: -534.784 Base-Backbone interact. energy: 3.416 local terms energy: -610.097189 where: bonds (distance) C4'-P energy: -126.434 bonds (distance) P-C4' energy: -114.572 flat angles C4'-P-C4' energy: -141.757 flat angles P-C4'-P energy: -105.324 tors. eta vs tors. theta energy: -122.010 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: 3 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -1221.810959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.810959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.810959 (E_RNA) where: Base-Base interactions energy: -686.196 where: short stacking energy: -356.457 Base-Backbone interact. energy: 1.860 local terms energy: -537.474775 where: bonds (distance) C4'-P energy: -135.699 bonds (distance) P-C4' energy: -131.759 flat angles C4'-P-C4' energy: -147.095 flat angles P-C4'-P energy: -88.412 tors. eta vs tors. theta energy: -34.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -879.750510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.750510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.750510 (E_RNA) where: Base-Base interactions energy: -398.777 where: short stacking energy: -255.447 Base-Backbone interact. energy: -0.449 local terms energy: -480.524514 where: bonds (distance) C4'-P energy: -128.263 bonds (distance) P-C4' energy: -122.001 flat angles C4'-P-C4' energy: -135.056 flat angles P-C4'-P energy: -83.778 tors. eta vs tors. theta energy: -11.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -636.946551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.946551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.946551 (E_RNA) where: Base-Base interactions energy: -276.419 where: short stacking energy: -213.335 Base-Backbone interact. energy: 3.504 local terms energy: -364.031713 where: bonds (distance) C4'-P energy: -144.448 bonds (distance) P-C4' energy: -115.165 flat angles C4'-P-C4' energy: -113.341 flat angles P-C4'-P energy: -29.051 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) out arg RESULTS//1/AC007686.4-54cea23b_01 DONE DONE DONE DONE ================================== temp. level: 1, replica: 2 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -2788.841874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.841874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.841874 (E_RNA) where: Base-Base interactions energy: -1898.100 where: short stacking energy: -825.986 Base-Backbone interact. energy: -4.193 local terms energy: -886.548781 where: bonds (distance) C4'-P energy: -159.888 bonds (distance) P-C4' energy: -178.696 flat angles C4'-P-C4' energy: -177.797 flat angles P-C4'-P energy: -133.794 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: 2, replica: 4 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -2635.750915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.750915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.750915 (E_RNA) where: Base-Base interactions energy: -1808.788 where: short stacking energy: -754.301 Base-Backbone interact. energy: -3.509 local terms energy: -823.454314 where: bonds (distance) C4'-P energy: -136.683 bonds (distance) P-C4' energy: -159.479 flat angles C4'-P-C4' energy: -165.098 flat angles P-C4'-P energy: -123.962 tors. eta vs tors. theta energy: -238.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -2544.592230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.592230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.592230 (E_RNA) where: Base-Base interactions energy: -1748.672 where: short stacking energy: -704.690 Base-Backbone interact. energy: 1.317 local terms energy: -797.237298 where: bonds (distance) C4'-P energy: -159.638 bonds (distance) P-C4' energy: -145.170 flat angles C4'-P-C4' energy: -166.375 flat angles P-C4'-P energy: -122.830 tors. eta vs tors. theta energy: -203.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -2368.627451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.627451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.627451 (E_RNA) where: Base-Base interactions energy: -1584.916 where: short stacking energy: -695.901 Base-Backbone interact. energy: -0.044 local terms energy: -783.667207 where: bonds (distance) C4'-P energy: -144.895 bonds (distance) P-C4' energy: -155.055 flat angles C4'-P-C4' energy: -174.145 flat angles P-C4'-P energy: -107.561 tors. eta vs tors. theta energy: -202.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -2122.975115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.975115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.975115 (E_RNA) where: Base-Base interactions energy: -1401.724 where: short stacking energy: -597.400 Base-Backbone interact. energy: 1.188 local terms energy: -722.438851 where: bonds (distance) C4'-P energy: -161.625 bonds (distance) P-C4' energy: -141.516 flat angles C4'-P-C4' energy: -169.018 flat angles P-C4'-P energy: -90.966 tors. eta vs tors. theta energy: -159.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -2005.594538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.594538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.594538 (E_RNA) where: Base-Base interactions energy: -1310.402 where: short stacking energy: -584.108 Base-Backbone interact. energy: -4.372 local terms energy: -690.821179 where: bonds (distance) C4'-P energy: -136.435 bonds (distance) P-C4' energy: -133.296 flat angles C4'-P-C4' energy: -153.280 flat angles P-C4'-P energy: -95.767 tors. eta vs tors. theta energy: -172.043 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: 10 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -1815.711970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.711970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.711970 (E_RNA) where: Base-Base interactions energy: -1168.033 where: short stacking energy: -551.883 Base-Backbone interact. energy: -0.144 local terms energy: -647.535370 where: bonds (distance) C4'-P energy: -137.776 bonds (distance) P-C4' energy: -151.384 flat angles C4'-P-C4' energy: -126.668 flat angles P-C4'-P energy: -93.121 tors. eta vs tors. theta energy: -138.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -1161.246143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.246143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.246143 (E_RNA) where: Base-Base interactions energy: -651.412 where: short stacking energy: -339.075 Base-Backbone interact. energy: -1.686 local terms energy: -508.147810 where: bonds (distance) C4'-P energy: -141.289 bonds (distance) P-C4' energy: -136.559 flat angles C4'-P-C4' energy: -113.738 flat angles P-C4'-P energy: -84.987 tors. eta vs tors. theta energy: -31.574 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: 7 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -852.912104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.912104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.912104 (E_RNA) where: Base-Base interactions energy: -413.246 where: short stacking energy: -251.223 Base-Backbone interact. energy: -1.826 local terms energy: -437.839523 where: bonds (distance) C4'-P energy: -107.740 bonds (distance) P-C4' energy: -137.621 flat angles C4'-P-C4' energy: -108.500 flat angles P-C4'-P energy: -71.921 tors. eta vs tors. theta energy: -12.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -699.592556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.592556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.592556 (E_RNA) where: Base-Base interactions energy: -305.497 where: short stacking energy: -209.495 Base-Backbone interact. energy: -4.113 local terms energy: -389.982731 where: bonds (distance) C4'-P energy: -115.266 bonds (distance) P-C4' energy: -121.002 flat angles C4'-P-C4' energy: -120.358 flat angles P-C4'-P energy: -68.014 tors. eta vs tors. theta energy: 34.656 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)